<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema" xmlns:cc="http://www.xml-cml.org/dictionary/compchem/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx" xmlns:convention="http://www.xml-cml.org/convention/" xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/" xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/" xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/" xmlns:si="http://www.xml-cml.org/unit/si/" xmlns:xi="http://www.w3.org/2001/XInclude" xmlns:xsd="http://www.w3.org/2001/XMLSchema" convention="convention:compchem" id="grrm.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module cmlx:templateRef="final-geometry"/>
         <module cmlx:templateRef="frequencies"/>
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar cmlx:templateRef="program.name" dataType="xsd:string">GRRM</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">23</scalar>
               </parameter>
               <parameter dictRef="cc:programDate">
                  <scalar dataType="xsd:string">January 23, 2023</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:jobtype">
                  <scalar dataType="xsd:string">Saddle</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">wB97XD</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">def2svpp</scalar>
               </parameter>
               <parameter dictRef="cc:charge">
                  <scalar dataType="xsd:integer">-1</scalar>
               </parameter>
               <parameter dictRef="cc:multiplicity">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">1</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47430479" y3="-2.32923654" z3="10.82324906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39397696" y3="-1.37579468" z3="10.26800117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20459373" y3="-2.14093716" z3="11.87920498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53417582" y3="-2.6484301" z3="10.79874944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.57039046" y3="-3.39646105" z3="10.21229799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.65429679" y3="-4.3483895" z3="10.77475977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51380244" y3="-3.08387958" z3="10.27377774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.88039534" y3="-3.69082494" z3="8.74486759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.90367248" y3="-4.10151991" z3="8.6548987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.1611772" y3="-4.43584153" z3="8.36064208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.62907323" y3="-2.07950705" z3="7.52806777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.4991999" y3="-0.35333483" z3="6.11397515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.39855882" y3="-0.46736966" z3="6.74974693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.59290001" y3="0.73084446" z3="5.89238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20978502" y3="-1.09570481" z3="4.79367453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04949382" y3="-2.16453882" z3="5.03090926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.74126945" y3="-0.71924247" z3="4.36366381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32873725" y3="-0.96809542" z3="3.76160753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.43710998" y3="0.09572892" z3="3.46583147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2781709" y3="-1.25075918" z3="4.24951809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.15054399" y3="-1.82451284" z3="2.50442398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.0533979" y3="-1.7273897" z3="1.87149015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.09763229" y3="-2.88918172" z3="2.80173905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.08010521" y3="-1.47501882" z3="1.66784683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07179416" y3="-0.40659464" z3="1.38210944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.01388264" y3="-1.66077508" z3="2.22604672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.12093769" y3="-2.07269718" z3="0.73895651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61672719" y3="-2.72915059" z3="7.79623496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.70549613" y3="-0.81488024" z3="6.89020287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.69720201" y3="-0.52930305" z3="6.52578978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8670369" y3="-2.54445147" z3="7.93619693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48447771" y3="0.53874633" z3="11.684532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.55045843" y3="1.16900502" z3="12.59133742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46502872" y3="0.57654117" z3="11.17482498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.32421707" y3="-0.50545123" z3="12.00941116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.63982122" y3="0.99605931" z3="10.75682101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.60515578" y3="0.96810905" z3="11.29281707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.4745191" y3="2.05415916" z3="10.47244223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.77165204" y3="0.1375898" z3="9.49449023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.92033221" y3="-0.91582771" z3="9.78780856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.16020739" y3="0.17676562" z3="8.90343076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95544575" y3="0.59209414" z3="8.64388616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.1031405" y3="0.54722323" z3="9.09684175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.68593993" y3="1.39162261" z3="7.90286924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4743,-2.3292,10.8232;-3.394,-1.3758,10.268;-3.2046,-2.1409,11.8792;-4.5342,-2.6484,10.7987;-2.5704,-3.3965,10.2123;-2.6543,-4.3484,10.7748;-1.5138,-3.0839,10.2738;-2.8804,-3.6908,8.7449;-3.9037,-4.1015,8.6549;-2.1612,-4.4358,8.3606;-1.6291,-2.0795,7.5281;-.4992,-.3533,6.114;.3986,-.4674,6.7497;-.5929,.7308,5.8924;-.2098,-1.0957,4.7937;-.0495,-2.1645,5.0309;.7413,-.7192,4.3637;-1.3287,-.9681,3.7616;-1.4371,.0957,3.4658;-2.2782,-1.2508,4.2495;-1.1505,-1.8245,2.5044;-2.0534,-1.7274,1.8715;-1.0976,-2.8892,2.8017;.0801,-1.475,1.6678;.0718,-.4066,1.3821;1.0139,-1.6608,2.226;.1209,-2.0727,.739;-.6167,-2.7292,7.7962;-1.7055,-.8149,6.8902;-2.6972,-.5293,6.5258;-2.867,-2.5445,7.9362;.4845,.5387,11.6845;.5505,1.169,12.5913;1.465,.5765,11.1748;.3242,-.5055,12.0094;-.6398,.9961,10.7568;-1.6052,.9681,11.2928;-.4745,2.0542,10.4724;-.7717,.1376,9.4945;-.9203,-.9158,9.7878;.1602,.1768,8.9034;-1.9554,.5921,8.6439;-3.1031,.5472,9.0968;-1.6859,1.3916,7.9029;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604862246371</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006530755909 0.000669592888 0.028837704248 0.008703774086</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.006959095 0.000040825 0.000120351 0.000144803 0.000208149 0.000286730 0.000490659 0.001079477 0.001263986 0.001691740 0.002126492 0.002261500 0.002779346 0.002856726 0.003517293 0.004149859 0.005473462 0.006042907 0.006634232 0.007873220 0.008593483 0.011885967 0.014194466 0.018552122 0.020883943 0.021513801 0.024196313 0.026016719 0.027984574 0.029649664 0.031594535 0.032082715 0.033139609 0.034858276 0.040124215 0.041062944 0.042935487 0.046458155 0.046797977 0.050746691 0.051782211 0.052596861 0.053705613 0.057723285 0.059206057 0.063185106 0.065180119 0.067450015 0.069606133 0.074258363 0.076607967 0.077048426 0.077654900 0.079096292 0.081350968 0.081759086 0.087903528 0.099603850 0.099951568 0.106176900 0.107085847 0.109840549 0.111964052 0.112815671 0.115913850 0.130286013 0.134393119 0.135091949 0.138833124 0.144238612 0.145907479 0.152097706 0.160744959 0.168515643 0.169480838 0.173196338 0.179663891 0.186463538 0.194707678 0.203257690 0.208102589 0.212245292 0.225246985 0.249107777 0.254093980 0.290517695 0.308543962 0.343011650 0.366977570 0.413943201 0.429548851 0.475768468 0.527552112 0.539114753 0.588597358 0.607208800 0.610153927 0.662448634 0.734075183 0.736003533 0.751700544 0.757557580 0.772787226 0.777577848 0.778537314 0.782030829 0.787202084 0.796724400 0.802592338 0.813934180 0.818649393 0.819633203 0.846932033 0.852262769 0.858290835 0.867090540 0.882521854 0.890538375 0.897066828 0.910075304 0.918243583 0.923793445 0.933104714 0.976513382 1.437565042 1.547901563</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">2</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47518128" y3="-2.33159225" z3="10.82801945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39749189" y3="-1.37766875" z3="10.27418464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20560219" y3="-2.14321814" z3="11.88400559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5346505" y3="-2.65202402" z3="10.80357056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.56995529" y3="-3.3970194" z3="10.21589568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.65192802" y3="-4.34853503" z3="10.77935384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.5138188" y3="-3.08265518" z3="10.27527467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.88072213" y3="-3.69202609" z3="8.74855096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.9031905" y3="-4.10584641" z3="8.66028493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.16008282" y3="-4.43642208" z3="8.36544217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.62995967" y3="-2.08112465" z3="7.52815994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.50072267" y3="-0.36073597" z3="6.10638971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.39529622" y3="-0.47642654" z3="6.74480438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.59449905" y3="0.72454304" z3="5.88835645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20413397" y3="-1.09569929" z3="4.7826332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0384356" y3="-2.16472525" z3="5.01550156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.74527422" y3="-0.71182177" z3="4.35532224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32346266" y3="-0.96986205" z3="3.75075619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.43313159" y3="0.09379714" z3="3.45464506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.271719" y3="-1.25346359" z3="4.24042218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.14653087" y3="-1.82638865" z3="2.49349994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.04967608" y3="-1.72838176" z3="1.86101221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.09457524" y3="-2.89117792" z3="2.79059393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.08401809" y3="-1.47798259" z3="1.6563876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07647114" y3="-0.40950498" z3="1.37077058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.01764887" y3="-1.66448579" z3="2.21460603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.12422115" y3="-2.07557199" z3="0.72735858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61697922" y3="-2.72741538" z3="7.80919043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.70836039" y3="-0.8311208" z3="6.87239924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.70147708" y3="-0.53569458" z3="6.5205706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87044489" y3="-2.54729349" z3="7.93931973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49168851" y3="0.53268954" z3="11.6882463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.56687345" y3="1.15767207" z3="12.59798169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46835998" y3="0.5699187" z3="11.17122739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.32998901" y3="-0.51265395" z3="12.00842632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.63820446" y3="1.000667" z3="10.77260065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.59869935" y3="0.97370496" z3="11.31749082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.47033041" y3="2.05999147" z3="10.49439157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.78431213" y3="0.15072955" z3="9.50503734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.93824839" y3="-0.90386194" z3="9.79073392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.14265624" y3="0.18730544" z3="8.90666543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96846424" y3="0.62093185" z3="8.66774634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.1144976" y3="0.57374262" z3="9.11259827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.70137064" y3="1.3960942" z3="7.90194456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4752,-2.3316,10.828;-3.3975,-1.3777,10.2742;-3.2056,-2.1432,11.884;-4.5347,-2.652,10.8036;-2.57,-3.397,10.2159;-2.6519,-4.3485,10.7794;-1.5138,-3.0827,10.2753;-2.8807,-3.692,8.7486;-3.9032,-4.1058,8.6603;-2.1601,-4.4364,8.3654;-1.63,-2.0811,7.5282;-.5007,-.3607,6.1064;.3953,-.4764,6.7448;-.5945,.7245,5.8884;-.2041,-1.0957,4.7826;-.0384,-2.1647,5.0155;.7453,-.7118,4.3553;-1.3235,-.9699,3.7508;-1.4331,.0938,3.4546;-2.2717,-1.2535,4.2404;-1.1465,-1.8264,2.4935;-2.0497,-1.7284,1.861;-1.0946,-2.8912,2.7906;.084,-1.478,1.6564;.0765,-.4095,1.3708;1.0176,-1.6645,2.2146;.1242,-2.0756,.7274;-.617,-2.7274,7.8092;-1.7084,-.8311,6.8724;-2.7015,-.5357,6.5206;-2.8704,-2.5473,7.9393;.4917,.5327,11.6882;.5669,1.1577,12.598;1.4684,.5699,11.1712;.33,-.5127,12.0084;-.6382,1.0007,10.7726;-1.5987,.9737,11.3175;-.4703,2.06,10.4944;-.7843,.1507,9.505;-.9382,-.9039,9.7907;.1427,.1873,8.9067;-1.9685,.6209,8.6677;-3.1145,.5737,9.1126;-1.7014,1.3961,7.9019;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604438592211</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004653754971 0.000518461113 0.027687370880 0.008704079587</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.004977402 0.000040961 0.000118951 0.000141869 0.000206165 0.000286630 0.000454388 0.001069586 0.001260911 0.001690585 0.002113474 0.002259989 0.002773505 0.002846008 0.003513704 0.004136087 0.005468674 0.006040415 0.006564023 0.007757955 0.008425110 0.011873717 0.014175780 0.018494393 0.020812511 0.021509861 0.024187237 0.026007117 0.027967627 0.029648273 0.031589150 0.032080615 0.033135044 0.034855937 0.040122254 0.041061684 0.042847530 0.046457900 0.046792700 0.050746880 0.051772938 0.052597062 0.053693446 0.057717829 0.059206040 0.063169945 0.065169773 0.067449405 0.069587800 0.074258061 0.076605981 0.077047860 0.077654187 0.079096248 0.081350808 0.081757701 0.087891737 0.099603476 0.099951215 0.106176650 0.107086574 0.109840441 0.111964787 0.112815649 0.115913853 0.130286861 0.134392994 0.135092143 0.138834053 0.144239436 0.145911107 0.152106337 0.160745101 0.168518549 0.169485758 0.173196380 0.179665510 0.186463563 0.194708899 0.203258044 0.208103152 0.212270288 0.225263909 0.249127208 0.254093950 0.290517632 0.308544234 0.343012427 0.366992662 0.413943259 0.429549478 0.475768703 0.527552033 0.539118506 0.588597852 0.607209100 0.610184659 0.662452983 0.734102843 0.736077232 0.751700569 0.757557634 0.772787787 0.777591894 0.778547301 0.782031156 0.787205809 0.796724763 0.802593003 0.813941761 0.818649533 0.819633931 0.846932421 0.852262812 0.858295733 0.867091276 0.882523777 0.890538767 0.897066872 0.910075262 0.918243638 0.923793282 0.933105358 0.976512955 1.438126544 1.547901294</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">3</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47643758" y3="-2.33369549" z3="10.83402923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.40127412" y3="-1.37929271" z3="10.28135473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20721978" y3="-2.14515955" z3="11.89008713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53539392" y3="-2.65574782" z3="10.8094666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5694236" y3="-3.39705837" z3="10.22098505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.64940187" y3="-4.34834606" z3="10.78513775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51386988" y3="-3.08064055" z3="10.27888662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.88039313" y3="-3.69260971" z3="8.75360586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.90208231" y3="-4.10924033" z3="8.66658572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.1583593" y3="-4.43635553" z3="8.37158078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6303747" y3="-2.08237165" z3="7.52916953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.50273456" y3="-0.36759074" z3="6.09876371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.39147539" y3="-0.48490895" z3="6.73982906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.59681064" y3="0.71877594" z3="5.8847036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.1997742" y3="-1.09565313" z3="4.77201537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03000885" y3="-2.16478188" z3="5.00146345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.74847301" y3="-0.70562926" z3="4.3476647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31858015" y3="-0.97130804" z3="3.73930811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.42937355" y3="0.09219491" z3="3.44289006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26639265" y3="-1.25601917" z3="4.22930311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.14149876" y3="-1.82793171" z3="2.48207742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.04463113" y3="-1.72955998" z3="1.84955948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.09016253" y3="-2.89278262" z3="2.77909754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.08900458" y3="-1.4806545" z3="1.6444059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08221288" y3="-0.41230662" z3="1.35824483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.02274713" y3="-1.66774923" z3="2.2022782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.12823735" y3="-2.07861989" z3="0.71551236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61648649" y3="-2.72420764" z3="7.82266539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7114279" y3="-0.84647522" z3="6.85538781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.70566994" y3="-0.54279867" z3="6.51464746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87281894" y3="-2.54930038" z3="7.94389759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49811348" y3="0.52489021" z3="11.690236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.58370197" y3="1.14328556" z3="12.60351068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.47031788" y3="0.56152408" z3="11.164955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33440891" y3="-0.52194964" z3="12.00420604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.63726803" y3="1.00471293" z3="10.78773174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.5932056" y3="0.97771852" z3="11.34064253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.46698492" y3="2.06544846" z3="10.51644203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.79649303" y3="0.16431789" z3="9.51487847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.95500887" y3="-0.89159257" z3="9.79264836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.12607346" y3="0.19922469" z3="8.91008642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.98109872" y3="0.64861922" z3="8.68994205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.12575358" y3="0.59982842" z3="9.12938232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.71671458" y3="1.40118413" z3="7.90310703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4764,-2.3337,10.834;-3.4013,-1.3793,10.2814;-3.2072,-2.1452,11.8901;-4.5354,-2.6557,10.8095;-2.5694,-3.3971,10.221;-2.6494,-4.3483,10.7851;-1.5139,-3.0806,10.2789;-2.8804,-3.6926,8.7536;-3.9021,-4.1092,8.6666;-2.1584,-4.4364,8.3716;-1.6304,-2.0824,7.5292;-.5027,-.3676,6.0988;.3915,-.4849,6.7398;-.5968,.7188,5.8847;-.1998,-1.0957,4.772;-.03,-2.1648,5.0015;.7485,-.7056,4.3477;-1.3186,-.9713,3.7393;-1.4294,.0922,3.4429;-2.2664,-1.256,4.2293;-1.1415,-1.8279,2.4821;-2.0446,-1.7296,1.8496;-1.0902,-2.8928,2.7791;.089,-1.4807,1.6444;.0822,-.4123,1.3582;1.0227,-1.6677,2.2023;.1282,-2.0786,.7155;-.6165,-2.7242,7.8227;-1.7114,-.8465,6.8554;-2.7057,-.5428,6.5146;-2.8728,-2.5493,7.9439;.4981,.5249,11.6902;.5837,1.1433,12.6035;1.4703,.5615,11.165;.3344,-.5219,12.0042;-.6373,1.0047,10.7877;-1.5932,.9777,11.3406;-.467,2.0654,10.5164;-.7965,.1643,9.5149;-.955,-.8916,9.7926;.1261,.1992,8.9101;-1.9811,.6486,8.6899;-3.1258,.5998,9.1294;-1.7167,1.4012,7.9031;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604151750061</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003183618733 0.000349395414 0.028174998261 0.008703824115</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.004349722 0.000040858 0.000117953 0.000139774 0.000205259 0.000285585 0.000440926 0.001066735 0.001257130 0.001689132 0.002106157 0.002259243 0.002770758 0.002835282 0.003511265 0.004129570 0.005465465 0.006045684 0.006552971 0.007723883 0.008384670 0.011875781 0.014174006 0.018487927 0.020810416 0.021511912 0.024190871 0.026005589 0.027953330 0.029647755 0.031587904 0.032078899 0.033134248 0.034854863 0.040121720 0.041061330 0.042824248 0.046457797 0.046791518 0.050745919 0.051773325 0.052597118 0.053691452 0.057716102 0.059206063 0.063166297 0.065168964 0.067449467 0.069583939 0.074255882 0.076605238 0.077047822 0.077653028 0.079096218 0.081349867 0.081757562 0.087887085 0.099603308 0.099951148 0.106176614 0.107086048 0.109840534 0.111965107 0.112815635 0.115913848 0.130286536 0.134393073 0.135092111 0.138833788 0.144239025 0.145910165 0.152105866 0.160745053 0.168519152 0.169485789 0.173196499 0.179665200 0.186464671 0.194708467 0.203257705 0.208103003 0.212272864 0.225269451 0.249133498 0.254093784 0.290517683 0.308544189 0.343011739 0.367002772 0.413943598 0.429549886 0.475769382 0.527551755 0.539121037 0.588597789 0.607209418 0.610191785 0.662455235 0.734111905 0.736099139 0.751700659 0.757557983 0.772787907 0.777594622 0.778550946 0.782031616 0.787206571 0.796724877 0.802593485 0.813943250 0.818649533 0.819635138 0.846932494 0.852262884 0.858298431 0.867091399 0.882523368 0.890538845 0.897066991 0.910075313 0.918243803 0.923793019 0.933105871 0.976510173 1.438303243 1.547905644</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">4</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47768452" y3="-2.33587372" z3="10.84227503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.40516339" y3="-1.38123977" z3="10.29051568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20909412" y3="-2.14689936" z3="11.89840917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53603003" y3="-2.65982173" z3="10.81732141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.56843047" y3="-3.39660438" z3="10.22811599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.64649949" y3="-4.34807952" z3="10.79223166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51355699" y3="-3.07793505" z3="10.28532605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.879231" y3="-3.69156861" z3="8.76038127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.90001875" y3="-4.11123612" z3="8.67426031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.15546581" y3="-4.43399738" z3="8.37884888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63085571" y3="-2.08297807" z3="7.52952909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.50567332" y3="-0.37360708" z3="6.09022511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.38623237" y3="-0.49117382" z3="6.73488414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.60128819" y3="0.71366354" z3="5.8798195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.1959277" y3="-1.09581596" z3="4.76173026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02458878" y3="-2.1649431" z3="4.98974355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.75210182" y3="-0.70195441" z3="4.3405818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31364817" y3="-0.97219935" z3="3.7277739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.42505484" y3="0.09124367" z3="3.43115397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26142992" y3="-1.25766511" z3="4.21756046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.13561781" y3="-1.82909743" z3="2.47096826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.03847241" y3="-1.73112072" z3="1.83795924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.08438585" y3="-2.8938007" z3="2.76855004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.09510196" y3="-1.4825455" z3="1.63333209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08861681" y3="-0.41441573" z3="1.34629917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.02879637" y3="-1.66949096" z3="2.19136888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.13412139" y3="-2.08122529" z3="0.7048581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61579459" y3="-2.72006737" z3="7.8347922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7153975" y3="-0.86284536" z3="6.8357721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.71082184" y3="-0.54988413" z3="6.5077859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87473487" y3="-2.54903973" z3="7.9512048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50349539" y3="0.51497454" z3="11.69028638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.59914273" y3="1.12596713" z3="12.60738722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4711604" y3="0.55134577" z3="11.15689632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33719565" y3="-0.53356634" z3="11.99684188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.63655451" y3="1.00705789" z3="10.80100019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.58851103" y3="0.97929709" z3="11.36069583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.46408769" y3="2.0691905" z3="10.53671115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.80801444" y3="0.17701944" z3="9.52283386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.9709004" y3="-0.88051175" z3="9.79164102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.11008846" y3="0.21100835" z3="8.91150055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.99341037" y3="0.67679422" z3="8.71201852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.13630309" y3="0.62668354" z3="9.14681683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.73176749" y3="1.40634521" z3="7.90416509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4777,-2.3359,10.8423;-3.4052,-1.3812,10.2905;-3.2091,-2.1469,11.8984;-4.536,-2.6598,10.8173;-2.5684,-3.3966,10.2281;-2.6465,-4.3481,10.7922;-1.5136,-3.0779,10.2853;-2.8792,-3.6916,8.7604;-3.9,-4.1112,8.6743;-2.1555,-4.434,8.3788;-1.6309,-2.083,7.5295;-.5057,-.3736,6.0902;.3862,-.4912,6.7349;-.6013,.7137,5.8798;-.1959,-1.0958,4.7617;-.0246,-2.1649,4.9897;.7521,-.702,4.3406;-1.3136,-.9722,3.7278;-1.4251,.0912,3.4312;-2.2614,-1.2577,4.2176;-1.1356,-1.8291,2.471;-2.0385,-1.7311,1.838;-1.0844,-2.8938,2.7686;.0951,-1.4825,1.6333;.0886,-.4144,1.3463;1.0288,-1.6695,2.1914;.1341,-2.0812,.7049;-.6158,-2.7201,7.8348;-1.7154,-.8628,6.8358;-2.7108,-.5499,6.5078;-2.8747,-2.549,7.9512;.5035,.515,11.6903;.5991,1.126,12.6074;1.4712,.5513,11.1569;.3372,-.5336,11.9968;-.6366,1.0071,10.801;-1.5885,.9793,11.3607;-.4641,2.0692,10.5367;-.808,.177,9.5228;-.9709,-.8805,9.7916;.1101,.211,8.9115;-1.9934,.6768,8.712;-3.1363,.6267,9.1468;-1.7318,1.4063,7.9042;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603953976595</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002326363398 0.000356862433 0.023604758153 0.008704129216</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.001633340 -0.000089655 0.000043384 0.000126463 0.000181759 0.000251467 0.000301698 0.001023564 0.001243101 0.001681613 0.002047648 0.002254922 0.002737839 0.002813095 0.003500082 0.004096934 0.005453777 0.006046012 0.006456963 0.007597105 0.008311320 0.011873784 0.014171643 0.018485450 0.020814099 0.021513673 0.024192514 0.026006083 0.027965829 0.029649207 0.031588000 0.032079085 0.033135680 0.034854559 0.040122409 0.041061478 0.042866263 0.046457983 0.046794316 0.050745598 0.051778634 0.052597138 0.053698538 0.057725152 0.059206088 0.063190432 0.065182677 0.067449903 0.069614447 0.074264056 0.076609478 0.077048931 0.077655994 0.079096433 0.081349074 0.081759921 0.087925265 0.099604389 0.099952800 0.106176655 0.107086890 0.109840457 0.111966476 0.112815801 0.115914660 0.130291127 0.134399509 0.135092195 0.138838372 0.144246467 0.145929291 0.152147518 0.160745066 0.168524560 0.169492203 0.173196391 0.179671870 0.186464492 0.194718374 0.203258954 0.208116026 0.212342597 0.225304181 0.249183641 0.254093161 0.290520092 0.308550866 0.343010977 0.367041535 0.413943937 0.429549830 0.475770425 0.527551496 0.539128944 0.588597678 0.607210043 0.610212739 0.662461612 0.734149136 0.736166643 0.751700660 0.757558799 0.772788559 0.777603862 0.778561654 0.782033970 0.787209582 0.796725420 0.802597232 0.813946731 0.818649540 0.819638855 0.846932651 0.852263951 0.858303372 0.867091523 0.882522722 0.890540243 0.897069153 0.910078461 0.918244459 0.923793013 0.933109414 0.976507705 1.438949472 1.547905875</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">5</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47902325" y3="-2.33858846" z3="10.85329017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41018442" y3="-1.38378919" z3="10.30160583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.21046087" y3="-2.14883949" z3="11.90926555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53631853" y3="-2.66597846" z3="10.82882752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.56663123" y3="-3.39574875" z3="10.2377144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.64202683" y3="-4.34808395" z3="10.8007807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51268765" y3="-3.07405728" z3="10.29493161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.87706648" y3="-3.68924925" z3="8.76956303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.89683721" y3="-4.11162041" z3="8.68345112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.15153811" y3="-4.42948583" z3="8.38713398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63246919" y3="-2.0797924" z3="7.53489344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.51106555" y3="-0.37721829" z3="6.08389948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.38011025" y3="-0.49527814" z3="6.72940037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.60684066" y3="0.71021777" z3="5.87435131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.1961648" y3="-1.09629411" z3="4.75391968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02266502" y3="-2.16568571" z3="4.9794735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.75250523" y3="-0.69897948" z3="4.33697194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3096067" y3="-0.97336842" z3="3.7149618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.42017792" y3="0.08988593" z3="3.41738234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.25914933" y3="-1.25912234" z3="4.20123004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.12785117" y3="-1.83058527" z3="2.45842366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.0297357" y3="-1.73339637" z3="1.82383805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.07661253" y3="-2.89526983" z3="2.75608958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.10350271" y3="-1.48463459" z3="1.62121506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09715637" y3="-0.41705404" z3="1.33215007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.03716984" y3="-1.67088721" z3="2.1795718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.14275407" y3="-2.08467683" z3="0.69351682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61588797" y3="-2.71157257" z3="7.84618823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.72072115" y3="-0.86754252" z3="6.82917593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.71640951" y3="-0.5566292" z3="6.50198543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87551911" y3="-2.5455864" z3="7.96211845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.5076619" y3="0.50116868" z3="11.68749335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.61563401" y3="1.10236237" z3="12.60996926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.47058185" y3="0.53716935" z3="11.14548069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.3384511" y3="-0.54957696" z3="11.98492548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.63756469" y3="1.00835591" z3="10.812558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.58514909" y3="0.97927984" z3="11.37979902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.46181698" y3="2.07261416" z3="10.5586286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.81965582" y3="0.19021057" z3="9.52778189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.9867127" y3="-0.86835394" z3="9.78965938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.09646186" y3="0.22388214" z3="8.91388133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.00451441" y3="0.69630382" z3="8.72119384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.14648317" y3="0.65014423" z3="9.15827374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.74480321" y3="1.41473826" z3="7.90540733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.479,-2.3386,10.8533;-3.4102,-1.3838,10.3016;-3.2105,-2.1488,11.9093;-4.5363,-2.666,10.8288;-2.5666,-3.3957,10.2377;-2.642,-4.3481,10.8008;-1.5127,-3.0741,10.2949;-2.8771,-3.6892,8.7696;-3.8968,-4.1116,8.6835;-2.1515,-4.4295,8.3871;-1.6325,-2.0798,7.5349;-.5111,-.3772,6.0839;.3801,-.4953,6.7294;-.6068,.7102,5.8744;-.1962,-1.0963,4.7539;-.0227,-2.1657,4.9795;.7525,-.699,4.337;-1.3096,-.9734,3.715;-1.4202,.0899,3.4174;-2.2591,-1.2591,4.2012;-1.1279,-1.8306,2.4584;-2.0297,-1.7334,1.8238;-1.0766,-2.8953,2.7561;.1035,-1.4846,1.6212;.0972,-.4171,1.3322;1.0372,-1.6709,2.1796;.1428,-2.0847,.6935;-.6159,-2.7116,7.8462;-1.7207,-.8675,6.8292;-2.7164,-.5566,6.502;-2.8755,-2.5456,7.9621;.5077,.5012,11.6875;.6156,1.1024,12.61;1.4706,.5372,11.1455;.3385,-.5496,11.9849;-.6376,1.0084,10.8126;-1.5851,.9793,11.3798;-.4618,2.0726,10.5586;-.8197,.1902,9.5278;-.9867,-.8684,9.7897;.0965,.2239,8.9139;-2.0045,.6963,8.7212;-3.1465,.6501,9.1583;-1.7448,1.4147,7.9054;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603854993002</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002254176969 0.000331015908 0.029289387513 0.008703923959</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.002622492 0.000042056 0.000120678 0.000136377 0.000211438 0.000285194 0.000517723 0.001091818 0.001260321 0.001686595 0.002113234 0.002260843 0.002779953 0.002837928 0.003507104 0.004143783 0.005469617 0.006047061 0.006598441 0.007833534 0.008556697 0.011879966 0.014203071 0.018551692 0.020901283 0.021520359 0.024214717 0.026016316 0.028071448 0.029652649 0.031588285 0.032080692 0.033141503 0.034854155 0.040124492 0.041062645 0.042949435 0.046458595 0.046799544 0.050744452 0.051784408 0.052597381 0.053718974 0.057734903 0.059206029 0.063218475 0.065201623 0.067450196 0.069652871 0.074279501 0.076616229 0.077055004 0.077653898 0.079096409 0.081347359 0.081761375 0.087967547 0.099605410 0.099954328 0.106177292 0.107089473 0.109840462 0.111965996 0.112815879 0.115914643 0.130298063 0.134403991 0.135093038 0.138842664 0.144252007 0.145950056 0.152196406 0.160745004 0.168530824 0.169498536 0.173196336 0.179675691 0.186465338 0.194730595 0.203259186 0.208140501 0.212441117 0.225338860 0.249177163 0.254092409 0.290520676 0.308554852 0.343010460 0.367041632 0.413944105 0.429550952 0.475770988 0.527553797 0.539128621 0.588597769 0.607211452 0.610242704 0.662461828 0.734177438 0.736260780 0.751701861 0.757560961 0.772788852 0.777620775 0.778565021 0.782034851 0.787213636 0.796725725 0.802602482 0.813946909 0.818650078 0.819639517 0.846933620 0.852267574 0.858303541 0.867097219 0.882543497 0.890540839 0.897069496 0.910080934 0.918245911 0.923792852 0.933117654 0.976634242 1.439607595 1.547905525</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">6</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47826897" y3="-2.33914988" z3="10.86440572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41328101" y3="-1.38430348" z3="10.31349639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20957493" y3="-2.1486796" z3="11.92023143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53471617" y3="-2.66919317" z3="10.84049663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5634702" y3="-3.39269675" z3="10.2464353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.63618109" y3="-4.34559083" z3="10.80894292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51032197" y3="-3.06825676" z3="10.3025461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8746268" y3="-3.68485829" z3="8.77787524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.89315949" y3="-4.11139725" z3="8.69355754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14680461" y3="-4.42288433" z3="8.39534334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63369022" y3="-2.07869352" z3="7.53243795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.51580529" y3="-0.38166497" z3="6.07271932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.37298548" y3="-0.49660724" z3="6.72260995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.61531727" y3="0.70615089" z3="5.86440578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.19336753" y3="-1.09791857" z3="4.74368984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02226268" y3="-2.16699943" z3="4.97160823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.75647794" y3="-0.70092397" z3="4.32969599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30566869" y3="-0.97444981" z3="3.70407746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.4158721" y3="0.08900749" z3="3.40668148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.25531094" y3="-1.26008478" z3="4.19043623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.12208573" y3="-1.83182282" z3="2.44852254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.02283486" y3="-1.73569779" z3="1.81217843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.07043962" y3="-2.89614345" z3="2.74739744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11096038" y3="-1.48481786" z3="1.61446361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10370278" y3="-0.41731262" z3="1.3250572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0431264" y3="-1.66898374" z3="2.1760251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.15397781" y3="-2.0854142" z3="0.68736379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.6154842" y3="-2.70594728" z3="7.85620161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.72613351" y3="-0.88538593" z3="6.8046444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7242837" y3="-0.56156378" z3="6.49442559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87797025" y3="-2.54227768" z3="7.97109046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.5095975" y3="0.48735118" z3="11.68688297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.62291494" y3="1.08081003" z3="12.61279644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4696012" y3="0.52460643" z3="11.14055848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.336917" y3="-0.56501432" z3="11.97580574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.63670596" y3="1.00580944" z3="10.82236705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.58192441" y3="0.97493634" z3="11.39294822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.4587178" y3="2.07101131" z3="10.57518779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82876" y3="0.19952488" z3="9.53181827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.99816082" y3="-0.86164671" z3="9.78166176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.08200938" y3="0.23490144" z3="8.91005749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.01574635" y3="0.72559321" z3="8.74471013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.15450239" y3="0.67814455" z3="9.17630199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.75918301" y3="1.41792093" z3="7.90221348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4783,-2.3391,10.8644;-3.4133,-1.3843,10.3135;-3.2096,-2.1487,11.9202;-4.5347,-2.6692,10.8405;-2.5635,-3.3927,10.2464;-2.6362,-4.3456,10.8089;-1.5103,-3.0683,10.3025;-2.8746,-3.6849,8.7779;-3.8932,-4.1114,8.6936;-2.1468,-4.4229,8.3953;-1.6337,-2.0787,7.5324;-.5158,-.3817,6.0727;.373,-.4966,6.7226;-.6153,.7062,5.8644;-.1934,-1.0979,4.7437;-.0223,-2.167,4.9716;.7565,-.7009,4.3297;-1.3057,-.9744,3.7041;-1.4159,.089,3.4067;-2.2553,-1.2601,4.1904;-1.1221,-1.8318,2.4485;-2.0228,-1.7357,1.8122;-1.0704,-2.8961,2.7474;.111,-1.4848,1.6145;.1037,-.4173,1.3251;1.0431,-1.669,2.176;.154,-2.0854,.6874;-.6155,-2.7059,7.8562;-1.7261,-.8854,6.8046;-2.7243,-.5616,6.4944;-2.878,-2.5423,7.9711;.5096,.4874,11.6869;.6229,1.0808,12.6128;1.4696,.5246,11.1406;.3369,-.565,11.9758;-.6367,1.0058,10.8224;-1.5819,.9749,11.3929;-.4587,2.071,10.5752;-.8288,.1995,9.5318;-.9982,-.8616,9.7817;.082,.2349,8.9101;-2.0157,.7256,8.7447;-3.1545,.6781,9.1763;-1.7592,1.4179,7.9022;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603713243006</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006616620364 0.000816298933 0.033459853725 0.008703712711</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.002685242 0.000042421 0.000104825 0.000127182 0.000211215 0.000275225 0.000418993 0.001073920 0.001240163 0.001675494 0.002093872 0.002262572 0.002787376 0.002823249 0.003501245 0.004144170 0.005470066 0.006071355 0.006688613 0.007960633 0.009074901 0.011907562 0.014277434 0.018704206 0.021046917 0.021530219 0.024288502 0.026045575 0.028552154 0.029680966 0.031595971 0.032089216 0.033175990 0.034857559 0.040131553 0.041065861 0.043257139 0.046461764 0.046820151 0.050742025 0.051796846 0.052599378 0.053791564 0.057777027 0.059206322 0.063330577 0.065270459 0.067450800 0.069805863 0.074358098 0.076644404 0.077074420 0.077653214 0.079096466 0.081345646 0.081765679 0.088134964 0.099610455 0.099960521 0.106178985 0.107099663 0.109840324 0.111968859 0.112816129 0.115914827 0.130330475 0.134426290 0.135097751 0.138859588 0.144284519 0.146031182 0.152414169 0.160745171 0.168571638 0.169549449 0.173196690 0.179696823 0.186465240 0.194773830 0.203260070 0.208202081 0.212861323 0.225537164 0.249233105 0.254091255 0.290525724 0.308565588 0.343009725 0.367051094 0.413944839 0.429555858 0.475780133 0.527557648 0.539138789 0.588597659 0.607211351 0.610352614 0.662473939 0.734269344 0.736595667 0.751702876 0.757560826 0.772790015 0.777657594 0.778599979 0.782041906 0.787232411 0.796729010 0.802617724 0.813952867 0.818651381 0.819646960 0.846936062 0.852274261 0.858304286 0.867104187 0.882556673 0.890540330 0.897073227 0.910080175 0.918248820 0.923796009 0.933136803 0.976735012 1.442031782 1.547905494</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">7</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47809637" y3="-2.33486398" z3="10.86658682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41312526" y3="-1.37958148" z3="10.31478644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20910748" y3="-2.14508092" z3="11.9224679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53402054" y3="-2.66689504" z3="10.8432715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.56210107" y3="-3.3879416" z3="10.24922078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.63378634" y3="-4.3414394" z3="10.81091444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50925737" y3="-3.06264381" z3="10.30713829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.87234915" y3="-3.68143839" z3="8.78102951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.89088227" y3="-4.10674895" z3="8.69539651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14471011" y3="-4.41897291" z3="8.39759783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63529075" y3="-2.07229955" z3="7.53890355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5194536" y3="-0.37215103" z3="6.08112017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.37266512" y3="-0.48523019" z3="6.72595827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.61735965" y3="0.71393152" z3="5.86622172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20370629" y3="-1.09776363" z3="4.75516881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03607302" y3="-2.16691996" z3="4.98533105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.74875726" y3="-0.7066898" z3="4.34145873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31044473" y3="-0.97331639" z3="3.709114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.4176026" y3="0.09004183" z3="3.41073758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26400672" y3="-1.25779838" z3="4.18842328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.12067421" y3="-1.83049577" z3="2.45337398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.0198728" y3="-1.73588211" z3="1.81461108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.06790406" y3="-2.89497554" z3="2.75146256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11321357" y3="-1.48205451" z3="1.62065683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10469972" y3="-0.41519466" z3="1.32900172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04549009" y3="-1.6642477" z3="2.18268253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.15790954" y3="-2.08394592" z3="0.69436749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.6166109" y3="-2.70131204" z3="7.84641562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.72708528" y3="-0.85923798" z3="6.83279896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.72362509" y3="-0.55512734" z3="6.50141426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87480944" y3="-2.53737532" z3="7.97342961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50357853" y3="0.48283232" z3="11.6788279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.61427282" y3="1.07572931" z3="12.60626228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46580438" y3="0.52073605" z3="11.13585928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33211236" y3="-0.57022216" z3="11.96721485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64087269" y3="0.99898179" z3="10.80830036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.58874105" y3="0.96568263" z3="11.37447878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.464243" y3="2.06505554" z3="10.56254401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82059305" y3="0.18925557" z3="9.51859001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.98336232" y3="-0.87093494" z3="9.77604232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.09641775" y3="0.22893073" z3="8.90637845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.00686711" y3="0.69221382" z3="8.71125028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.14812728" y3="0.64747436" z3="9.1539339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.74852134" y3="1.41730322" z3="7.90162858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4781,-2.3349,10.8666;-3.4131,-1.3796,10.3148;-3.2091,-2.1451,11.9225;-4.534,-2.6669,10.8433;-2.5621,-3.3879,10.2492;-2.6338,-4.3414,10.8109;-1.5093,-3.0626,10.3071;-2.8723,-3.6814,8.781;-3.8909,-4.1067,8.6954;-2.1447,-4.419,8.3976;-1.6353,-2.0723,7.5389;-.5195,-.3722,6.0811;.3727,-.4852,6.726;-.6174,.7139,5.8662;-.2037,-1.0978,4.7552;-.0361,-2.1669,4.9853;.7488,-.7067,4.3415;-1.3104,-.9733,3.7091;-1.4176,.09,3.4107;-2.264,-1.2578,4.1884;-1.1207,-1.8305,2.4534;-2.0199,-1.7359,1.8146;-1.0679,-2.895,2.7515;.1132,-1.4821,1.6207;.1047,-.4152,1.329;1.0455,-1.6642,2.1827;.1579,-2.0839,.6944;-.6166,-2.7013,7.8464;-1.7271,-.8592,6.8328;-2.7236,-.5551,6.5014;-2.8748,-2.5374,7.9734;.5036,.4828,11.6788;.6143,1.0757,12.6063;1.4658,.5207,11.1359;.3321,-.5702,11.9672;-.6409,.999,10.8083;-1.5887,.9657,11.3745;-.4642,2.0651,10.5625;-.8206,.1893,9.5186;-.9834,-.8709,9.776;.0964,.2289,8.9064;-2.0069,.6922,8.7113;-3.1481,.6475,9.1539;-1.7485,1.4173,7.9016;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603921421778</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004062374489 0.000517339107 0.025157939382 0.008704383778</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.002376101 0.000024968 0.000125202 0.000164367 0.000206791 0.000256804 0.000421793 0.001076180 0.001289104 0.001724990 0.002099990 0.002259300 0.002794529 0.002863049 0.003511684 0.004187181 0.005485771 0.006071467 0.006724114 0.007989983 0.009473402 0.011918283 0.014303444 0.018764388 0.021092549 0.021531491 0.024299419 0.026055841 0.028794540 0.029692627 0.031604869 0.032101256 0.033197337 0.034858827 0.040135671 0.041068239 0.043504203 0.046463207 0.046838316 0.050741058 0.051817555 0.052600426 0.053826986 0.057812116 0.059206350 0.063410255 0.065313359 0.067452498 0.069925963 0.074404374 0.076662369 0.077091955 0.077656014 0.079096667 0.081346736 0.081773125 0.088265029 0.099612989 0.099965661 0.106181393 0.107106294 0.109840645 0.111969361 0.112816534 0.115914914 0.130352769 0.134431075 0.135101231 0.138871035 0.144296967 0.146098483 0.152582705 0.160745407 0.168585564 0.169579750 0.173196799 0.179719613 0.186467375 0.194802564 0.203263131 0.208235379 0.213190519 0.225700860 0.249266380 0.254094360 0.290528095 0.308566078 0.343014872 0.367065596 0.413944937 0.429560096 0.475780781 0.527558303 0.539145395 0.588599489 0.607212244 0.610451400 0.662485063 0.734316864 0.736911276 0.751703322 0.757560942 0.772791676 0.777693224 0.778630335 0.782043830 0.787248930 0.796730341 0.802621988 0.813957545 0.818651913 0.819649119 0.846940272 0.852276664 0.858313763 0.867114616 0.882587358 0.890543689 0.897074458 0.910085496 0.918252037 0.923799791 0.933142567 0.976798189 1.443684638 1.547912273</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">8</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.48114552" y3="-2.34045645" z3="10.87109565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.4179543" y3="-1.38417969" z3="10.32137301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.21341774" y3="-2.1516635" z3="11.92745863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5365678" y3="-2.67382049" z3="10.84630165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.56319085" y3="-3.39099293" z3="10.25242436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.6342298" y3="-4.3452349" z3="10.81289924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51085227" y3="-3.06431483" z3="10.31081523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.87211521" y3="-3.68198948" z3="8.78334991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.89013561" y3="-4.10866492" z3="8.69671631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14355535" y3="-4.41870878" z3="8.39996425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63387398" y3="-2.07211883" z3="7.54142269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.51912539" y3="-0.37884348" z3="6.07471362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.37137755" y3="-0.49543569" z3="6.72146659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.61587625" y3="0.70844529" z3="5.86418221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.19871447" y3="-1.09772296" z3="4.74511461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02697164" y3="-2.16736349" z3="4.97115866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.75253051" y3="-0.70070597" z3="4.33355384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30514434" y3="-0.97443436" z3="3.6984033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.4130188" y3="0.08869" z3="3.39933371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.25832585" y3="-1.25944384" z3="4.1782108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11660253" y3="-1.83237397" z3="2.44278214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.01652677" y3="-1.73741033" z3="1.80503927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.06456033" y3="-2.89681148" z3="2.74119776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11619628" y3="-1.48634121" z3="1.60737937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10883931" y3="-0.41982729" z3="1.31439599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04944034" y3="-1.66962894" z3="2.16744583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.15774825" y3="-2.08920802" z3="0.6814981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61450101" y3="-2.6964028" z3="7.86020595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7279653" y3="-0.87157549" z3="6.81948114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.72476811" y3="-0.56293478" z3="6.49436795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8751019" y3="-2.53716598" z3="7.97801356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.51101752" y3="0.47941527" z3="11.68014877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.63464969" y3="1.06701944" z3="12.60940962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46773935" y3="0.51522041" z3="11.12696823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33730728" y3="-0.57396474" z3="11.96472917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.63986903" y3="1.00565698" z3="10.82396053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.58258248" y3="0.97373745" z3="11.39945825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.46042424" y3="2.0721831" z3="10.58301865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83362377" y3="0.202886" z3="9.53136927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-1.00389592" y3="-0.85704394" z3="9.78427624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.08007046" y3="0.2379145" z3="8.91421608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.01873233" y3="0.71737176" z3="8.73273259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.15927507" y3="0.67241321" z3="9.17140922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.76263438" y3="1.42521744" z3="7.90891088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4811,-2.3405,10.8711;-3.418,-1.3842,10.3214;-3.2134,-2.1517,11.9275;-4.5366,-2.6738,10.8463;-2.5632,-3.391,10.2524;-2.6342,-4.3452,10.8129;-1.5109,-3.0643,10.3108;-2.8721,-3.682,8.7833;-3.8901,-4.1087,8.6967;-2.1436,-4.4187,8.4;-1.6339,-2.0721,7.5414;-.5191,-.3788,6.0747;.3714,-.4954,6.7215;-.6159,.7084,5.8642;-.1987,-1.0977,4.7451;-.027,-2.1674,4.9712;.7525,-.7007,4.3336;-1.3051,-.9744,3.6984;-1.413,.0887,3.3993;-2.2583,-1.2594,4.1782;-1.1166,-1.8324,2.4428;-2.0165,-1.7374,1.805;-1.0646,-2.8968,2.7412;.1162,-1.4863,1.6074;.1088,-.4198,1.3144;1.0494,-1.6696,2.1674;.1577,-2.0892,.6815;-.6145,-2.6964,7.8602;-1.728,-.8716,6.8195;-2.7248,-.5629,6.4944;-2.8751,-2.5372,7.978;.511,.4794,11.6801;.6346,1.067,12.6094;1.4677,.5152,11.127;.3373,-.574,11.9647;-.6399,1.0057,10.824;-1.5826,.9737,11.3995;-.4604,2.0722,10.583;-.8336,.2029,9.5314;-1.0039,-.857,9.7843;.0801,.2379,8.9142;-2.0187,.7174,8.7327;-3.1593,.6724,9.1714;-1.7626,1.4252,7.9089;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603750616591</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004610221165 0.000594048823 0.025472754437 0.008703236859</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.004008748 -0.000639657 0.000048699 0.000125337 0.000191734 0.000232549 0.000279770 0.000946420 0.001242975 0.001644536 0.001965657 0.002254362 0.002697363 0.002810780 0.003483609 0.004115826 0.005473544 0.006061134 0.006648223 0.007962781 0.009500819 0.011935073 0.014386093 0.018928229 0.021283949 0.021573174 0.024398249 0.026083815 0.029394512 0.030029783 0.031626951 0.032138504 0.033301590 0.034868406 0.040142682 0.041068772 0.044190890 0.046469916 0.046912432 0.050740758 0.051843063 0.052605655 0.053988871 0.057914781 0.059207092 0.063638984 0.065473397 0.067454576 0.070302467 0.074610709 0.076722298 0.077180274 0.077657388 0.079097338 0.081345976 0.081786976 0.088719203 0.099623768 0.099982156 0.106185510 0.107136275 0.109840419 0.111975552 0.112817311 0.115915081 0.130428696 0.134504080 0.135112110 0.138904487 0.144357147 0.146250770 0.153133763 0.160745544 0.168681408 0.169767477 0.173199055 0.179763308 0.186468965 0.194894947 0.203262430 0.208381215 0.214255480 0.226266099 0.249426405 0.254093702 0.290546726 0.308606182 0.343017521 0.367066016 0.413945644 0.429568266 0.475796914 0.527578534 0.539161286 0.588599400 0.607212803 0.610732965 0.662499377 0.734406936 0.737739320 0.751706945 0.757562142 0.772794321 0.777769682 0.778711136 0.782056899 0.787305202 0.796734712 0.802652383 0.813969993 0.818653706 0.819660503 0.846945770 0.852293110 0.858313895 0.867128765 0.882650940 0.890543590 0.897081199 0.910085198 0.918257686 0.923834989 0.933182040 0.977098252 1.447561806 1.547935116</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">9</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47782554" y3="-2.33653482" z3="10.86319075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41217176" y3="-1.38153354" z3="10.31131051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20836645" y3="-2.14661473" z3="11.91891268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53413901" y3="-2.66719659" z3="10.84016045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.56327875" y3="-3.39080194" z3="10.24586224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.63647247" y3="-4.34418637" z3="10.8074708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51001562" y3="-3.06697526" z3="10.30364285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.87376247" y3="-3.68311211" z3="8.77747828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.89292406" y3="-4.10684265" z3="8.69151017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14738148" y3="-4.42183846" z3="8.39389143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63360921" y3="-2.073228" z3="7.53897047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.51638962" y3="-0.37352105" z3="6.08235667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.37576479" y3="-0.4892162" z3="6.72691886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.61251681" y3="0.71327307" z3="5.86960278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20206793" y3="-1.09740783" z3="4.75488035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03303425" y3="-2.16670963" z3="4.98398555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.7492647" y3="-0.70467743" z3="4.34006626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31047771" y3="-0.97362448" z3="3.71048406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.41897311" y3="0.08968544" z3="3.41239872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26323032" y3="-1.25898994" z3="4.19090032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.12238007" y3="-1.83052844" z3="2.45421367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.02237194" y3="-1.73517806" z3="1.81669074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.06994253" y3="-2.89518375" z3="2.75177085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11042982" y3="-1.48306354" z3="1.61945112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.1030002" y3="-0.41600187" z3="1.32851238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.043631" y3="-1.66720748" z3="2.17927865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.15219041" y3="-2.08429427" z3="0.69258436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61546765" y3="-2.70300449" z3="7.84891121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.72429376" y3="-0.86152098" z3="6.83211123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.72093254" y3="-0.55464105" z3="6.50295966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87451523" y3="-2.53881076" z3="7.97072073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50395551" y3="0.48812999" z3="11.68100082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.6154038" y3="1.08263213" z3="12.60709342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4658507" y3="0.52481369" z3="11.13721808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33233261" y3="-0.5641312" z3="11.97133352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64080248" y3="1.00257772" z3="10.81026057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.58862892" y3="0.97066422" z3="11.37683548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.46409733" y3="2.06789857" z3="10.56221564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82087261" y3="0.18993638" z3="9.52236352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.98519778" y3="-0.86942708" z3="9.78186717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.09654453" y3="0.22740085" z3="8.91051151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.0060558" y3="0.69419877" z3="8.71511729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.14796246" y3="0.64694045" z3="9.15277469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.74657217" y3="1.41724003" z3="7.90258234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4778,-2.3365,10.8632;-3.4122,-1.3815,10.3113;-3.2084,-2.1466,11.9189;-4.5341,-2.6672,10.8402;-2.5633,-3.3908,10.2459;-2.6365,-4.3442,10.8075;-1.51,-3.067,10.3036;-2.8738,-3.6831,8.7775;-3.8929,-4.1068,8.6915;-2.1474,-4.4218,8.3939;-1.6336,-2.0732,7.539;-.5164,-.3735,6.0824;.3758,-.4892,6.7269;-.6125,.7133,5.8696;-.2021,-1.0974,4.7549;-.033,-2.1667,4.984;.7493,-.7047,4.3401;-1.3105,-.9736,3.7105;-1.419,.0897,3.4124;-2.2632,-1.259,4.1909;-1.1224,-1.8305,2.4542;-2.0224,-1.7352,1.8167;-1.0699,-2.8952,2.7518;.1104,-1.4831,1.6195;.103,-.416,1.3285;1.0436,-1.6672,2.1793;.1522,-2.0843,.6926;-.6155,-2.703,7.8489;-1.7243,-.8615,6.8321;-2.7209,-.5546,6.503;-2.8745,-2.5388,7.9707;.504,.4881,11.681;.6154,1.0826,12.6071;1.4659,.5248,11.1372;.3323,-.5641,11.9713;-.6408,1.0026,10.8103;-1.5886,.9707,11.3768;-.4641,2.0679,10.5622;-.8209,.1899,9.5224;-.9852,-.8694,9.7819;.0965,.2274,8.9105;-2.0061,.6942,8.7151;-3.148,.6469,9.1528;-1.7466,1.4172,7.9026;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603908918693</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001762335476 0.000212601855 0.031203394512 0.008703565693</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.001022002 -0.000645079 0.000051758 0.000125405 0.000218805 0.000257860 0.000420504 0.000935182 0.001265024 0.001701438 0.001969485 0.002244528 0.002740858 0.002823944 0.003496863 0.004150451 0.005481701 0.006033010 0.006724732 0.008002486 0.009602656 0.011951473 0.014355483 0.018921477 0.021283929 0.021570029 0.024403287 0.026084707 0.029437781 0.030050949 0.031627337 0.032136183 0.033307123 0.034854843 0.040144688 0.041071509 0.044203005 0.046470675 0.046915068 0.050745617 0.051855435 0.052605703 0.054011706 0.057927523 0.059207222 0.063655845 0.065530750 0.067453503 0.070392321 0.074643845 0.076734534 0.077209339 0.077659475 0.079097339 0.081347701 0.081785076 0.088814878 0.099625320 0.099985948 0.106189119 0.107145248 0.109839217 0.111975235 0.112817379 0.115915405 0.130448223 0.134513256 0.135117222 0.138914636 0.144367780 0.146308839 0.153310378 0.160745507 0.168701124 0.169813193 0.173199779 0.179770707 0.186470215 0.194927068 0.203262957 0.208410932 0.214590389 0.226448687 0.249450447 0.254093676 0.290551852 0.308623429 0.343014527 0.367108797 0.413946124 0.429571219 0.475800437 0.527599429 0.539169323 0.588598722 0.607212982 0.610913912 0.662505561 0.734436888 0.738259011 0.751708341 0.757563313 0.772795874 0.777829177 0.778773888 0.782063130 0.787334726 0.796737341 0.802669849 0.813984214 0.818655547 0.819665276 0.846949966 0.852303800 0.858319148 0.867141144 0.882697700 0.890543974 0.897087794 0.910085509 0.918265421 0.923844006 0.933206321 0.977289490 1.450506838 1.547943680</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">10</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47433913" y3="-2.33156844" z3="10.86167366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.40833698" y3="-1.37733541" z3="10.30795229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20271559" y3="-2.14105051" z3="11.91675162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53084752" y3="-2.66186354" z3="10.84104367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.56151077" y3="-3.38726547" z3="10.24417035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.63523932" y3="-4.34075559" z3="10.80552812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.5078164" y3="-3.06473409" z3="10.30201308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.87325869" y3="-3.67985128" z3="8.77623625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.89320376" y3="-4.10124227" z3="8.6905614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14846063" y3="-4.41951572" z3="8.39163578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63372515" y3="-2.06965537" z3="7.53944813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.51589174" y3="-0.36532885" z3="6.08955031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.37850992" y3="-0.47900311" z3="6.7312128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.61109512" y3="0.72044175" z3="5.87213941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20823224" y3="-1.09758031" z3="4.76560814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0447065" y3="-2.16665092" z3="4.99958529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.74501727" y3="-0.71219374" z3="4.34870112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31543801" y3="-0.97252713" z3="3.72004655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.42267135" y3="0.09093751" z3="3.42222155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26974538" y3="-1.25724487" z3="4.19781615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.12492514" y3="-1.82879869" z3="2.46350389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.02441206" y3="-1.73444472" z3="1.82518696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.07115202" y3="-2.8935317" z3="2.76053337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.10798273" y3="-1.47936815" z3="1.62952885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09944253" y3="-0.41225102" z3="1.3388524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04139982" y3="-1.66270452" z3="2.18924003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.15066152" y3="-2.08020843" z3="0.7024658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61603377" y3="-2.70400258" z3="7.83820458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.72218684" y3="-0.84525274" z3="6.84844313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7185741" y3="-0.54428852" z3="6.51183092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87270049" y3="-2.53528343" z3="7.96870279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49496181" y3="0.48927223" z3="11.67752908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.59743987" y3="1.08739469" z3="12.60236475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46111501" y3="0.52659013" z3="11.1411702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.32427505" y3="-0.56252212" z3="11.97043861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64443136" y3="0.99581783" z3="10.79501865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.59715671" y3="0.96260577" z3="11.35328477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.47005773" y3="2.06061427" z3="10.5430736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.80996913" y3="0.17575984" z3="9.51021917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.96720589" y3="-0.88319321" z3="9.77605177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.11236822" y3="0.21716856" z3="8.90547951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.99478274" y3="0.66666422" z3="8.69133414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.13887271" y3="0.61573706" z3="9.12876989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.73184053" y3="1.4115999" z3="7.89725031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4743,-2.3316,10.8617;-3.4083,-1.3773,10.308;-3.2027,-2.1411,11.9168;-4.5308,-2.6619,10.841;-2.5615,-3.3873,10.2442;-2.6352,-4.3408,10.8055;-1.5078,-3.0647,10.302;-2.8733,-3.6799,8.7762;-3.8932,-4.1012,8.6906;-2.1485,-4.4195,8.3916;-1.6337,-2.0697,7.5394;-.5159,-.3653,6.0896;.3785,-.479,6.7312;-.6111,.7204,5.8721;-.2082,-1.0976,4.7656;-.0447,-2.1667,4.9996;.745,-.7122,4.3487;-1.3154,-.9725,3.72;-1.4227,.0909,3.4222;-2.2697,-1.2572,4.1978;-1.1249,-1.8288,2.4635;-2.0244,-1.7344,1.8252;-1.0712,-2.8935,2.7605;.108,-1.4794,1.6295;.0994,-.4123,1.3389;1.0414,-1.6627,2.1892;.1507,-2.0802,.7025;-.616,-2.704,7.8382;-1.7222,-.8453,6.8484;-2.7186,-.5443,6.5118;-2.8727,-2.5353,7.9687;.495,.4893,11.6775;.5974,1.0874,12.6024;1.4611,.5266,11.1412;.3243,-.5625,11.9704;-.6444,.9958,10.795;-1.5972,.9626,11.3533;-.4701,2.0606,10.5431;-.81,.1758,9.5102;-.9672,-.8832,9.7761;.1124,.2172,8.9055;-1.9948,.6667,8.6913;-3.1389,.6157,9.1288;-1.7318,1.4116,7.8973;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604104447164</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001824136536 0.000283557990 0.022886728040 0.008703621838</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.001629597 -0.000572272 0.000051955 0.000125624 0.000218805 0.000258267 0.000419007 0.000940372 0.001265873 0.001700125 0.001979687 0.002244076 0.002746807 0.002823574 0.003497057 0.004154556 0.005481846 0.006031539 0.006727462 0.008004082 0.009600018 0.011950812 0.014355100 0.018923298 0.021284698 0.021570642 0.024404980 0.026085161 0.029451262 0.030079267 0.031628837 0.032136852 0.033313578 0.034854534 0.040145311 0.041072712 0.044231788 0.046471050 0.046918769 0.050746667 0.051856439 0.052605912 0.054018190 0.057933224 0.059207312 0.063665796 0.065541499 0.067453502 0.070416877 0.074657572 0.076738738 0.077215189 0.077662843 0.079097426 0.081349184 0.081785430 0.088842720 0.099626115 0.099987069 0.106190002 0.107146702 0.109839113 0.111976053 0.112817404 0.115915595 0.130452193 0.134513676 0.135118091 0.138916642 0.144369899 0.146321340 0.153347425 0.160745612 0.168703512 0.169820802 0.173199892 0.179774927 0.186470219 0.194931362 0.203264605 0.208410526 0.214640577 0.226492892 0.249468230 0.254094079 0.290552480 0.308623873 0.343015467 0.367121672 0.413946210 0.429571998 0.475800660 0.527599861 0.539170982 0.588598716 0.607213236 0.610923043 0.662507075 0.734438823 0.738288238 0.751708386 0.757563332 0.772796007 0.777830903 0.778778765 0.782063566 0.787335790 0.796737595 0.802670697 0.813985165 0.818655669 0.819665699 0.846950220 0.852304230 0.858320518 0.867142142 0.882698301 0.890543988 0.897088252 0.910085728 0.918266000 0.923844837 0.933207281 0.977295506 1.450629683 1.547944616</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">11</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.48486438" y3="-2.33036795" z3="10.86825155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41924464" y3="-1.37406953" z3="10.31769158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.22075418" y3="-2.14259105" z3="11.92577241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53946995" y3="-2.66634338" z3="10.84007789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.56284193" y3="-3.37948077" z3="10.25290501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.63196707" y3="-4.33415032" z3="10.81292341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51147413" y3="-3.04995411" z3="10.3158967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86750777" y3="-3.67426175" z3="8.78395167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88465876" y3="-4.10152754" z3="8.69495852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13681465" y3="-4.40925011" z3="8.40168732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63592852" y3="-2.06276361" z3="7.54192456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.52442712" y3="-0.35446034" z3="6.09266643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.3711933" y3="-0.46113736" z3="6.7337882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.62359502" y3="0.72978182" z3="5.86982567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21604653" y3="-1.09420582" z3="4.77353038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0598134" y3="-2.16301599" z3="5.01339218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.74157363" y3="-0.71649309" z3="4.35992155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31612858" y3="-0.96732839" z3="3.72048129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.41740029" y3="0.09579455" z3="3.41935597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27534394" y3="-1.24743554" z3="4.19140247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11905638" y3="-1.82715711" z3="2.46706632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.01621104" y3="-1.73670799" z3="1.82492812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.06418483" y3="-2.89081174" z3="2.76770404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11595465" y3="-1.47845573" z3="1.63566073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10452186" y3="-0.41345623" z3="1.33725121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04826562" y3="-1.6545572" z3="2.19960738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.16407993" y3="-2.08555544" z3="0.71287723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.6157895" y3="-2.69557565" z3="7.83348913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.72801001" y3="-0.83318567" z3="6.85753521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.72553612" y3="-0.53887874" z3="6.51713681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87104568" y3="-2.52991643" z3="7.97535788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.5006644" y3="0.47983032" z3="11.66053969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.60707104" y3="1.07632558" z3="12.58580028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46417737" y3="0.51862858" z3="11.11911084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33267638" y3="-0.57264045" z3="11.95223351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64308788" y3="0.98505792" z3="10.7831048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.5946206" y3="0.94746204" z3="11.34335286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.47320579" y3="2.05046752" z3="10.53172006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.80704957" y3="0.16520837" z3="9.49887055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.9580708" y3="-0.89401" z3="9.7667079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.11546052" y3="0.21053754" z3="8.89426909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.99560049" y3="0.64854788" z3="8.67957865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.139114" y3="0.59285033" z3="9.12136229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.73513693" y3="1.4086399" z3="7.89670352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4849,-2.3304,10.8683;-3.4192,-1.3741,10.3177;-3.2208,-2.1426,11.9258;-4.5395,-2.6663,10.8401;-2.5628,-3.3795,10.2529;-2.632,-4.3342,10.8129;-1.5115,-3.05,10.3159;-2.8675,-3.6743,8.784;-3.8847,-4.1015,8.695;-2.1368,-4.4093,8.4017;-1.6359,-2.0628,7.5419;-.5244,-.3545,6.0927;.3712,-.4611,6.7338;-.6236,.7298,5.8698;-.216,-1.0942,4.7735;-.0598,-2.163,5.0134;.7416,-.7165,4.3599;-1.3161,-.9673,3.7205;-1.4174,.0958,3.4194;-2.2753,-1.2474,4.1914;-1.1191,-1.8272,2.4671;-2.0162,-1.7367,1.8249;-1.0642,-2.8908,2.7677;.116,-1.4785,1.6357;.1045,-.4135,1.3373;1.0483,-1.6546,2.1996;.1641,-2.0856,.7129;-.6158,-2.6956,7.8335;-1.728,-.8332,6.8575;-2.7255,-.5389,6.5171;-2.871,-2.5299,7.9754;.5007,.4798,11.6605;.6071,1.0763,12.5858;1.4642,.5186,11.1191;.3327,-.5726,11.9522;-.6431,.9851,10.7831;-1.5946,.9475,11.3434;-.4732,2.0505,10.5317;-.807,.1652,9.4989;-.9581,-.894,9.7667;.1155,.2105,8.8943;-1.9956,.6485,8.6796;-3.1391,.5929,9.1214;-1.7351,1.4086,7.8967;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604230163762</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004347105761 0.000552804588 0.031175142646 0.008704033021</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.002319632 0.000047466 0.000125381 0.000212875 0.000257563 0.000315838 0.000691574 0.001088592 0.001288150 0.001723061 0.002036080 0.002246747 0.002757243 0.002823381 0.003497525 0.004158116 0.005482069 0.006033731 0.006728867 0.008005183 0.009600406 0.011951168 0.014358901 0.018925691 0.021290803 0.021579555 0.024412881 0.026086675 0.029458812 0.030101734 0.031628765 0.032137537 0.033317192 0.034855866 0.040145869 0.041072633 0.044250646 0.046471337 0.046920696 0.050746118 0.051860994 0.052605836 0.054020642 0.057938180 0.059207280 0.063670695 0.065556166 0.067453685 0.070435453 0.074669794 0.076741404 0.077219882 0.077663333 0.079097439 0.081349483 0.081786422 0.088872493 0.099626227 0.099988850 0.106190253 0.107148070 0.109839127 0.111976135 0.112817461 0.115915523 0.130455984 0.134514656 0.135119015 0.138919371 0.144370167 0.146335516 0.153385096 0.160746442 0.168703350 0.169824126 0.173199785 0.179778027 0.186470676 0.194936742 0.203265597 0.208415620 0.214677652 0.226523744 0.249478622 0.254093192 0.290552388 0.308625476 0.343015936 0.367128551 0.413946266 0.429573273 0.475800860 0.527604946 0.539172203 0.588598781 0.607213276 0.610949474 0.662508174 0.734440771 0.738363541 0.751708558 0.757564334 0.772796363 0.777839207 0.778794154 0.782063789 0.787337988 0.796738393 0.802674354 0.813987439 0.818655954 0.819666545 0.846950356 0.852305861 0.858328593 0.867145248 0.882704834 0.890544269 0.897089735 0.910086137 0.918267024 0.923850560 0.933211846 0.977327108 1.451190435 1.547944916</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">12</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.48324235" y3="-2.3338941" z3="10.87372745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41971437" y3="-1.3773871" z3="10.3238232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.21760032" y3="-2.14605772" z3="11.93083788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53781695" y3="-2.66994507" z3="10.84708395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.56191235" y3="-3.38211554" z3="10.25606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.63101234" y3="-4.33714644" z3="10.81544812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.5104605" y3="-3.05290909" z3="10.31757599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8680214" y3="-3.67460072" z3="8.78680791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88522649" y3="-4.10231" z3="8.69870916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13762512" y3="-4.40962281" z3="8.40401219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63472148" y3="-2.06479221" z3="7.54244657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.52222639" y3="-0.36431217" z3="6.0839872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.37102414" y3="-0.47449996" z3="6.72791101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.62030846" y3="0.72105209" z3="5.86527017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20908698" y3="-1.09715013" z3="4.7617231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05057904" y3="-2.16644248" z3="4.99773982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.74762701" y3="-0.71528994" z3="4.34965593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31040477" y3="-0.96926654" z3="3.71026597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.41200561" y3="0.09413752" z3="3.41011601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26816388" y3="-1.24956538" z3="4.18384329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11686236" y3="-1.82853682" z3="2.4562245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.01532524" y3="-1.73707067" z3="1.81606234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.06235731" y3="-2.89231418" z3="2.75648576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11680074" y3="-1.48035175" z3="1.62279719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10558517" y3="-0.41512286" z3="1.32529538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04976082" y3="-1.65738595" z3="2.18533692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.16299098" y3="-2.0868128" z3="0.69953676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61456812" y3="-2.69339144" z3="7.84668912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.72816341" y3="-0.8492391" z3="6.83958843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.72571282" y3="-0.5481785" z3="6.50678392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87209547" y3="-2.5301723" z3="7.97963615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.5026393" y3="0.47528917" z3="11.6668727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.61643742" y3="1.06691028" z3="12.59432634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4632166" y3="0.51269207" z3="11.12072636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33109933" y3="-0.57787103" z3="11.95406194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64321677" y3="0.99089465" z3="10.79865699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.59152702" y3="0.95392994" z3="11.3640369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.46972162" y3="2.05733062" z3="10.55347856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.81812533" y3="0.18048762" z3="9.50949003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.97467693" y3="-0.88009407" z3="9.76872035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.10028606" y3="0.22451262" z3="8.89923709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.00631783" y3="0.6772058" z3="8.70098359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.14814834" y3="0.62402547" z3="9.14122074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.74888201" y3="1.4147683" z3="7.89907988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4832,-2.3339,10.8737;-3.4197,-1.3774,10.3238;-3.2176,-2.1461,11.9308;-4.5378,-2.6699,10.8471;-2.5619,-3.3821,10.2561;-2.631,-4.3371,10.8154;-1.5105,-3.0529,10.3176;-2.868,-3.6746,8.7868;-3.8852,-4.1023,8.6987;-2.1376,-4.4096,8.404;-1.6347,-2.0648,7.5424;-.5222,-.3643,6.084;.371,-.4745,6.7279;-.6203,.7211,5.8653;-.2091,-1.0972,4.7617;-.0506,-2.1664,4.9977;.7476,-.7153,4.3497;-1.3104,-.9693,3.7103;-1.412,.0941,3.4101;-2.2682,-1.2496,4.1838;-1.1169,-1.8285,2.4562;-2.0153,-1.7371,1.8161;-1.0624,-2.8923,2.7565;.1168,-1.4804,1.6228;.1056,-.4151,1.3253;1.0498,-1.6574,2.1853;.163,-2.0868,.6995;-.6146,-2.6934,7.8467;-1.7282,-.8492,6.8396;-2.7257,-.5482,6.5068;-2.8721,-2.5302,7.9796;.5026,.4753,11.6669;.6164,1.0669,12.5943;1.4632,.5127,11.1207;.3311,-.5779,11.9541;-.6432,.9909,10.7987;-1.5915,.9539,11.364;-.4697,2.0573,10.5535;-.8181,.1805,9.5095;-.9747,-.8801,9.7687;.1003,.2245,8.8992;-2.0063,.6772,8.701;-3.1481,.624,9.1412;-1.7489,1.4148,7.8991;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604029700231</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001763873535 0.000206289807 0.026929262985 0.008703361001</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.002266262 0.000037729 0.000125572 0.000194798 0.000252092 0.000333634 0.000464310 0.001106651 0.001342742 0.001765992 0.002098185 0.002243951 0.002811126 0.002834369 0.003504949 0.004194496 0.005486996 0.006034150 0.006767650 0.008019999 0.009698391 0.011960267 0.014358804 0.018922024 0.021284086 0.021579588 0.024414486 0.026084464 0.029446598 0.030080910 0.031626485 0.032132383 0.033309696 0.034853141 0.040145323 0.041072539 0.044185024 0.046470975 0.046912013 0.050745446 0.051852267 0.052605824 0.054013957 0.057928087 0.059207290 0.063652114 0.065544984 0.067452470 0.070401670 0.074653776 0.076736794 0.077211860 0.077660593 0.079097314 0.081348088 0.081780880 0.088821948 0.099625630 0.099986265 0.106188526 0.107147644 0.109838220 0.111975516 0.112817220 0.115915350 0.130449466 0.134511669 0.135118605 0.138916602 0.144368588 0.146327501 0.153349428 0.160746279 0.168702678 0.169818900 0.173199487 0.179769255 0.186466283 0.194931726 0.203264413 0.208407112 0.214626386 0.226486847 0.249449305 0.254088615 0.290552181 0.308617137 0.343009315 0.367127012 0.413943812 0.429572454 0.475791632 0.527601639 0.539171807 0.588595435 0.607213158 0.610949437 0.662506609 0.734440843 0.738358421 0.751708025 0.757563445 0.772795955 0.777841079 0.778796313 0.782063782 0.787331498 0.796738540 0.802675018 0.813987717 0.818655976 0.819666614 0.846949306 0.852306036 0.858328420 0.867143771 0.882705828 0.890534441 0.897088957 0.910069572 0.918265908 0.923848912 0.933212793 0.977309965 1.451317291 1.547944402</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">13</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.48171998" y3="-2.33215976" z3="10.8821398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42198278" y3="-1.37557885" z3="10.3327016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.21555855" y3="-2.1431386" z3="11.9389143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53553317" y3="-2.67055577" z3="10.85647483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.55847529" y3="-3.37767419" z3="10.26301553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.62351816" y3="-4.33212136" z3="10.82392929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50785626" y3="-3.04512344" z3="10.32122836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86695195" y3="-3.6721783" z3="8.79444393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88314497" y3="-4.10360079" z3="8.7096232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.1350558" y3="-4.40600049" z3="8.41217302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63749726" y3="-2.0658926" z3="7.53969335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.52691316" y3="-0.36997892" z3="6.07429064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.36313071" y3="-0.47770179" z3="6.7234651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.62879969" y3="0.71565279" z3="5.8573137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20388011" y3="-1.09729849" z3="4.75128591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04230929" y3="-2.1666386" z3="4.98564508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.75236397" y3="-0.71026707" z3="4.34224867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30523491" y3="-0.97094328" z3="3.70006351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.40797723" y3="0.09240553" z3="3.39988952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26177329" y3="-1.25204695" z3="4.17553695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11152036" y3="-1.8304845" z3="2.44678422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00937563" y3="-1.73913437" z3="1.8056841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.05737695" y3="-2.89405043" z3="2.74784218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12354111" y3="-1.48168684" z3="1.61597673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.11183794" y3="-0.41635414" z3="1.31891947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05494193" y3="-1.65749461" z3="2.18150082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.1730187" y3="-2.08806656" z3="0.69288881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.6159827" y3="-2.68988798" z3="7.85355155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.73465615" y3="-0.8659319" z3="6.81782082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.73302973" y3="-0.55554582" z3="6.49726922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87564771" y3="-2.52958698" z3="7.98600606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50665295" y3="0.46142361" z3="11.66684496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.62628604" y3="1.04525905" z3="12.59852149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46428406" y3="0.50116507" z3="11.11604943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33346695" y3="-0.59362456" z3="11.94605499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64233391" y3="0.98842332" z3="10.80978831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.58728734" y3="0.94997201" z3="11.38082609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.46647939" y3="2.05648538" z3="10.57295247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82938662" y3="0.19069053" z3="9.51375894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.98873423" y3="-0.87250387" z3="9.76092181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.08337289" y3="0.23670777" z3="8.89544215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.01974316" y3="0.7037714" z3="8.72162892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.15914582" y3="0.65095474" z3="9.16057048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.7663775" y3="1.41972791" z3="7.90069254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4817,-2.3322,10.8821;-3.422,-1.3756,10.3327;-3.2156,-2.1431,11.9389;-4.5355,-2.6706,10.8565;-2.5585,-3.3777,10.263;-2.6235,-4.3321,10.8239;-1.5079,-3.0451,10.3212;-2.867,-3.6722,8.7944;-3.8831,-4.1036,8.7096;-2.1351,-4.406,8.4122;-1.6375,-2.0659,7.5397;-.5269,-.37,6.0743;.3631,-.4777,6.7235;-.6288,.7157,5.8573;-.2039,-1.0973,4.7513;-.0423,-2.1666,4.9856;.7524,-.7103,4.3422;-1.3052,-.9709,3.7001;-1.408,.0924,3.3999;-2.2618,-1.252,4.1755;-1.1115,-1.8305,2.4468;-2.0094,-1.7391,1.8057;-1.0574,-2.8941,2.7478;.1235,-1.4817,1.616;.1118,-.4164,1.3189;1.0549,-1.6575,2.1815;.173,-2.0881,.6929;-.616,-2.6899,7.8536;-1.7347,-.8659,6.8178;-2.733,-.5555,6.4973;-2.8756,-2.5296,7.986;.5067,.4614,11.6668;.6263,1.0453,12.5985;1.4643,.5012,11.116;.3335,-.5936,11.9461;-.6423,.9884,10.8098;-1.5873,.95,11.3808;-.4665,2.0565,10.573;-.8294,.1907,9.5138;-.9887,-.8725,9.7609;.0834,.2367,8.8954;-2.0197,.7038,8.7216;-3.1591,.651,9.1606;-1.7664,1.4197,7.9007;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603899936371</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001360138401 0.000205708646 0.031353361037 0.008704060240</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000623211 -0.000058449 0.000102267 0.000126882 0.000225561 0.000267097 0.000389876 0.001108978 0.001340902 0.001769514 0.002098355 0.002243921 0.002810895 0.002834353 0.003504975 0.004200808 0.005488699 0.006034067 0.006774221 0.008025523 0.009752689 0.011966342 0.014362580 0.018928862 0.021292238 0.021580069 0.024413623 0.026089611 0.029449446 0.030087294 0.031631383 0.032140552 0.033318657 0.034852773 0.040145298 0.041073708 0.044235581 0.046471315 0.046918923 0.050749399 0.051857339 0.052605852 0.054016720 0.057937335 0.059207439 0.063667798 0.065551241 0.067452666 0.070431570 0.074677407 0.076745350 0.077215967 0.077670730 0.079097403 0.081346597 0.081784588 0.088877139 0.099626301 0.099988658 0.106190883 0.107147728 0.109838059 0.111976470 0.112817258 0.115915332 0.130459940 0.134515388 0.135118922 0.138919771 0.144378517 0.146328552 0.153386018 0.160748488 0.168702561 0.169826562 0.173200850 0.179781057 0.186470131 0.194938902 0.203279823 0.208406963 0.214669901 0.226543312 0.249543431 0.254087363 0.290553901 0.308635346 0.343008461 0.367230137 0.413943800 0.429573251 0.475793458 0.527631541 0.539177295 0.588597324 0.607228169 0.610948093 0.662517769 0.734442401 0.738376396 0.751714092 0.757564530 0.772798531 0.777841712 0.778798173 0.782066673 0.787338343 0.796738519 0.802676930 0.813990050 0.818656660 0.819668160 0.846950325 0.852307329 0.858328697 0.867147513 0.882717460 0.890534452 0.897089368 0.910068791 0.918266062 0.923848566 0.933219292 0.977310879 1.451696496 1.547943966</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">14</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47906896" y3="-2.32539649" z3="10.89254107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42258406" y3="-1.36923027" z3="10.34212678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.21195335" y3="-2.13447558" z3="11.94873998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53204109" y3="-2.66646313" z3="10.86874701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.55414841" y3="-3.3692597" z3="10.27329655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.61486404" y3="-4.32250601" z3="10.8367105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50444311" y3="-3.03338128" z3="10.32808788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86535716" y3="-3.66838247" z3="8.80612795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88052156" y3="-4.10307367" z3="8.72521915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13234453" y3="-4.40139969" z3="8.42455972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64233177" y3="-2.06492524" z3="7.54114599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.53646798" y3="-0.37249115" z3="6.06764274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.35242516" y3="-0.4769198" z3="6.71879542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.64192918" y3="0.71267764" z3="5.84989082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20617873" y3="-1.09761908" z3="4.74507337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04147179" y3="-2.16666945" z3="4.97857039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.75016453" y3="-0.70665166" z3="4.33981934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3041063" y3="-0.9736819" z3="3.68999145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.40844608" y3="0.08959764" z3="3.39008093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26141648" y3="-1.25760151" z3="4.16238047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10375452" y3="-1.8317287" z3="2.4366812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99879291" y3="-1.74083272" z3="1.79153085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.04960718" y3="-2.89555313" z3="2.73679034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1347974" y3="-1.48030296" z3="1.61213717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.12300148" y3="-0.4146681" z3="1.31620383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06359887" y3="-1.65526436" z3="2.18217033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.18984135" y3="-2.08560737" z3="0.68865315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61862834" y3="-2.68369109" z3="7.85962213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.74374086" y3="-0.87245082" z3="6.80922075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.74293099" y3="-0.56238144" z3="6.4916132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87888562" y3="-2.52830167" z3="7.99435134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50745604" y3="0.44184011" z3="11.66294934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.62992261" y3="1.01390569" z3="12.60161278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46362194" y3="0.48778005" z3="11.11034267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33418119" y3="-0.61669599" z3="11.92938346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64338313" y3="0.98090728" z3="10.81580693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.58634712" y3="0.93534174" z3="11.38935424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.46741068" y3="2.05214222" z3="10.59265038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83418848" y3="0.19965557" z3="9.51020838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.9886373" y3="-0.86727175" z3="9.74448994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.07523856" y3="0.25585593" z3="8.88802047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.02890589" y3="0.71631516" z3="8.72786291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.16518225" y3="0.6648834" z3="9.17379371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78254107" y3="1.4233631" z3="7.89737582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4791,-2.3254,10.8925;-3.4226,-1.3692,10.3421;-3.212,-2.1345,11.9487;-4.532,-2.6665,10.8687;-2.5541,-3.3693,10.2733;-2.6149,-4.3225,10.8367;-1.5044,-3.0334,10.3281;-2.8654,-3.6684,8.8061;-3.8805,-4.1031,8.7252;-2.1323,-4.4014,8.4246;-1.6423,-2.0649,7.5411;-.5365,-.3725,6.0676;.3524,-.4769,6.7188;-.6419,.7127,5.8499;-.2062,-1.0976,4.7451;-.0415,-2.1667,4.9786;.7502,-.7067,4.3398;-1.3041,-.9737,3.69;-1.4084,.0896,3.3901;-2.2614,-1.2576,4.1624;-1.1038,-1.8317,2.4367;-1.9988,-1.7408,1.7915;-1.0496,-2.8956,2.7368;.1348,-1.4803,1.6121;.123,-.4147,1.3162;1.0636,-1.6553,2.1822;.1898,-2.0856,.6887;-.6186,-2.6837,7.8596;-1.7437,-.8725,6.8092;-2.7429,-.5624,6.4916;-2.8789,-2.5283,7.9944;.5075,.4418,11.6629;.6299,1.0139,12.6016;1.4636,.4878,11.1103;.3342,-.6167,11.9294;-.6434,.9809,10.8158;-1.5863,.9353,11.3894;-.4674,2.0521,10.5927;-.8342,.1997,9.5102;-.9886,-.8673,9.7445;.0752,.2559,8.888;-2.0289,.7163,8.7279;-3.1652,.6649,9.1738;-1.7825,1.4234,7.8974;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603857982135</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001204667445 0.000174673155 0.028443466971 0.008704571625</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000933625 0.000045366 0.000125059 0.000210443 0.000258126 0.000297200 0.000531401 0.001108859 0.001344259 0.001764179 0.002098631 0.002244047 0.002816779 0.002834333 0.003504970 0.004199889 0.005488514 0.006035827 0.006774047 0.008024998 0.009748986 0.011965836 0.014362348 0.018930981 0.021299135 0.021591252 0.024413782 0.026092434 0.029448132 0.030087171 0.031631602 0.032139825 0.033318213 0.034852723 0.040145880 0.041074120 0.044248897 0.046471396 0.046920114 0.050746965 0.051858005 0.052605826 0.054020800 0.057939719 0.059207473 0.063670119 0.065557783 0.067452676 0.070445437 0.074678567 0.076746286 0.077219769 0.077669074 0.079098247 0.081349317 0.081785004 0.088888924 0.099626722 0.099989418 0.106191081 0.107148135 0.109838118 0.111976158 0.112817323 0.115915330 0.130461091 0.134515972 0.135119043 0.138920308 0.144377844 0.146337625 0.153405370 0.160750675 0.168702539 0.169827747 0.173201397 0.179782540 0.186470858 0.194943367 0.203280127 0.208409678 0.214684406 0.226543884 0.249556669 0.254086311 0.290554516 0.308635508 0.343007946 0.367230330 0.413944113 0.429572982 0.475793272 0.527632279 0.539177206 0.588597398 0.607228293 0.610947723 0.662517619 0.734443624 0.738376496 0.751714312 0.757564386 0.772798544 0.777842096 0.778797830 0.782067548 0.787338338 0.796739701 0.802678471 0.814005440 0.818656639 0.819669299 0.846950324 0.852307414 0.858331221 0.867147875 0.882716389 0.890534767 0.897089891 0.910068860 0.918268337 0.923884357 0.933220493 0.977330911 1.451753437 1.547947465</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">15</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47534667" y3="-2.31901287" z3="10.90287956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42042832" y3="-1.36355361" z3="10.35163153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20711988" y3="-2.12661489" z3="11.95854775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5281872" y3="-2.66054283" z3="10.88074164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.55058517" y3="-3.36273478" z3="10.2831662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.6098671" y3="-4.31511632" z3="10.84814686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50113506" y3="-3.02597067" z3="10.33575597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86396482" y3="-3.66432299" z3="8.81677997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.87854426" y3="-4.1013558" z3="8.73915342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13030124" y3="-4.39718275" z3="8.43587653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64494107" y3="-2.06447621" z3="7.54204031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.54192709" y3="-0.37797493" z3="6.0595405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.34530613" y3="-0.48190208" z3="6.71319521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.64861834" y3="0.70752617" z3="5.8430697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20657596" y3="-1.10021305" z3="4.73674255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04176496" y3="-2.1691643" z3="4.97007522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.75025754" y3="-0.70770715" z3="4.33461257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30200137" y3="-0.97646213" z3="3.67914218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.40719989" y3="0.08707231" z3="3.38024552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.25996548" y3="-1.26243052" z3="4.14907133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09720799" y3="-1.83265648" z3="2.42536317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.9906636" y3="-1.74235535" z3="1.77797314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.04222301" y3="-2.8967577" z3="2.72438997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14289801" y3="-1.47857741" z3="1.60434681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.13024962" y3="-0.41267781" z3="1.30919946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07046984" y3="-1.65253304" z3="2.17666543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20121813" y3="-2.0830904" z3="0.68053349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61962816" y3="-2.67812889" z3="7.86925655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.74960186" y3="-0.88411785" z3="6.79481083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7498895" y3="-0.56994744" z3="6.4839837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88129484" y3="-2.52675183" z3="8.00250967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50601152" y3="0.42509975" z3="11.66263893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.63073204" y3="0.98546222" z3="12.60787718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46078162" y3="0.47774879" z3="11.10794702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33287186" y3="-0.63648099" z3="11.91592482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64674329" y3="0.97464622" z3="10.82556937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.58875624" y3="0.91942205" z3="11.39987448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.47280317" y3="2.04893264" z3="10.61676438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83811723" y3="0.21121678" z3="9.5096478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.98519321" y3="-0.8603732" z3="9.72763125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.06812828" y3="0.28091318" z3="8.88407658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.03750606" y3="0.7346679" z3="8.74055483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.17054766" y3="0.68083715" z3="9.18857457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79863665" y3="1.42702842" z3="7.89584488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4753,-2.319,10.9029;-3.4204,-1.3636,10.3516;-3.2071,-2.1266,11.9585;-4.5282,-2.6605,10.8807;-2.5506,-3.3627,10.2832;-2.6099,-4.3151,10.8481;-1.5011,-3.026,10.3358;-2.864,-3.6643,8.8168;-3.8785,-4.1014,8.7392;-2.1303,-4.3972,8.4359;-1.6449,-2.0645,7.542;-.5419,-.378,6.0595;.3453,-.4819,6.7132;-.6486,.7075,5.8431;-.2066,-1.1002,4.7367;-.0418,-2.1692,4.9701;.7503,-.7077,4.3346;-1.302,-.9765,3.6791;-1.4072,.0871,3.3802;-2.26,-1.2624,4.1491;-1.0972,-1.8327,2.4254;-1.9907,-1.7424,1.778;-1.0422,-2.8968,2.7244;.1429,-1.4786,1.6043;.1302,-.4127,1.3092;1.0705,-1.6525,2.1767;.2012,-2.0831,.6805;-.6196,-2.6781,7.8693;-1.7496,-.8841,6.7948;-2.7499,-.5699,6.484;-2.8813,-2.5268,8.0025;.506,.4251,11.6626;.6307,.9855,12.6079;1.4608,.4777,11.1079;.3329,-.6365,11.9159;-.6467,.9746,10.8256;-1.5888,.9194,11.3999;-.4728,2.0489,10.6168;-.8381,.2112,9.5096;-.9852,-.8604,9.7276;.0681,.2809,8.8841;-2.0375,.7347,8.7406;-3.1705,.6808,9.1886;-1.7986,1.427,7.8958;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603802412442</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001776008075 0.000245656801 0.023589999346 0.008703225941</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000300568 -0.000029658 0.000048744 0.000128725 0.000216668 0.000268693 0.000437440 0.001109548 0.001331125 0.001756602 0.002100263 0.002244209 0.002821660 0.002834909 0.003505152 0.004200469 0.005488471 0.006038215 0.006773939 0.008024759 0.009747400 0.011965542 0.014363072 0.018930909 0.021306444 0.021592078 0.024413693 0.026094274 0.029447406 0.030091830 0.031631961 0.032141317 0.033319770 0.034852567 0.040146015 0.041073528 0.044267442 0.046471577 0.046922158 0.050744844 0.051858327 0.052605977 0.054024772 0.057943479 0.059207465 0.063677063 0.065563661 0.067452693 0.070455620 0.074690348 0.076747331 0.077223408 0.077669373 0.079098126 0.081347515 0.081785262 0.088903937 0.099627180 0.099989979 0.106190836 0.107148939 0.109837890 0.111976373 0.112817275 0.115915364 0.130462055 0.134515679 0.135119362 0.138921714 0.144380097 0.146344085 0.153415904 0.160750474 0.168704547 0.169831966 0.173201228 0.179786928 0.186470807 0.194949126 0.203281583 0.208408926 0.214710279 0.226566830 0.249570915 0.254085015 0.290556304 0.308635358 0.343009023 0.367243300 0.413944186 0.429572940 0.475796128 0.527632057 0.539180209 0.588597922 0.607229333 0.610945884 0.662520092 0.734446359 0.738389965 0.751714365 0.757565491 0.772798541 0.777841936 0.778800179 0.782068261 0.787338320 0.796740425 0.802679486 0.814008049 0.818656866 0.819670739 0.846950701 0.852307853 0.858331836 0.867147636 0.882716639 0.890535638 0.897091671 0.910072653 0.918268717 0.923886297 0.933221097 0.977326081 1.451990790 1.547946995</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">16</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.46856192" y3="-2.30656083" z3="10.90577833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41399144" y3="-1.35208456" z3="10.35186723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.1975338" y3="-2.11244103" z3="11.96042924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.52150564" y3="-2.64807056" z3="10.88709509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.54563015" y3="-3.35225001" z3="10.28679496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.6027954" y3="-4.3031628" z3="10.85460778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49602392" y3="-3.01522228" z3="10.33616741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86322052" y3="-3.65944044" z3="8.82252523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.87814385" y3="-4.09573782" z3="8.74886749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13118041" y3="-4.39362032" z3="8.44157682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64952322" y3="-2.06147569" z3="7.54238136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.54876125" y3="-0.3710486" z3="6.06320997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.33988747" y3="-0.47056814" z3="6.71527265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.65745438" y3="0.71298571" z3="5.84172553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21447372" y3="-1.09953908" z3="4.74384292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05039595" y3="-2.16808162" z3="4.98012211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.74356843" y3="-0.70929712" z3="4.3421073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30678757" y3="-0.97788655" z3="3.68274747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.41298362" y3="0.08547252" z3="3.38385825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26625518" y3="-1.26587826" z3="4.14835189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09473296" y3="-1.83294294" z3="2.42907732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98579506" y3="-1.74455295" z3="1.77808966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03803861" y3="-2.89713848" z3="2.7274223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14782606" y3="-1.47490874" z3="1.61320449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.13361131" y3="-0.40885179" z3="1.31889636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07376245" y3="-1.64699554" z3="2.1887799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21137232" y3="-2.07847846" z3="0.68908651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62331604" y3="-2.67606344" z3="7.85874278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75463135" y3="-0.87040741" z3="6.80802645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7544566" y3="-0.5660861" z3="6.48727872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88228357" y3="-2.52404495" z3="8.00350605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49834808" y3="0.41271936" z3="11.65690848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.6140538" y3="0.96676807" z3="12.60727009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45638513" y3="0.47487512" z3="11.10886567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33000226" y3="-0.65204285" z3="11.90179402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.65223949" y3="0.96098781" z3="10.81570796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.59767125" y3="0.89583205" z3="11.38337862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.48355347" y3="2.03805446" z3="10.6152505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82937336" y3="0.20382972" z3="9.49457419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.96395466" y3="-0.87031042" z3="9.70850681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.08013436" y3="0.28762703" z3="8.87501146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.03183761" y3="0.71267354" z3="8.71805494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.16485293" y3="0.65902407" z3="9.17531072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79535457" y3="1.42372767" z3="7.89029982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4686,-2.3066,10.9058;-3.414,-1.3521,10.3519;-3.1975,-2.1124,11.9604;-4.5215,-2.6481,10.8871;-2.5456,-3.3523,10.2868;-2.6028,-4.3032,10.8546;-1.496,-3.0152,10.3362;-2.8632,-3.6594,8.8225;-3.8781,-4.0957,8.7489;-2.1312,-4.3936,8.4416;-1.6495,-2.0615,7.5424;-.5488,-.371,6.0632;.3399,-.4706,6.7153;-.6575,.713,5.8417;-.2145,-1.0995,4.7438;-.0504,-2.1681,4.9801;.7436,-.7093,4.3421;-1.3068,-.9779,3.6827;-1.413,.0855,3.3839;-2.2663,-1.2659,4.1484;-1.0947,-1.8329,2.4291;-1.9858,-1.7446,1.7781;-1.038,-2.8971,2.7274;.1478,-1.4749,1.6132;.1336,-.4089,1.3189;1.0738,-1.647,2.1888;.2114,-2.0785,.6891;-.6233,-2.6761,7.8587;-1.7546,-.8704,6.808;-2.7545,-.5661,6.4873;-2.8823,-2.524,8.0035;.4983,.4127,11.6569;.6141,.9668,12.6073;1.4564,.4749,11.1089;.33,-.652,11.9018;-.6522,.961,10.8157;-1.5977,.8958,11.3834;-.4836,2.0381,10.6153;-.8294,.2038,9.4946;-.964,-.8703,9.7085;.0801,.2876,8.875;-2.0318,.7127,8.7181;-3.1649,.659,9.1753;-1.7954,1.4237,7.8903;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603902122683</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003975040603 0.000479481437 0.030540046983 0.008703478860</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000362101 -0.000017622 0.000070427 0.000133904 0.000216495 0.000309015 0.000615170 0.001113260 0.001326649 0.001765487 0.002106666 0.002244088 0.002826819 0.002834917 0.003505399 0.004201099 0.005488474 0.006038088 0.006775024 0.008026204 0.009753204 0.011965408 0.014363634 0.018934690 0.021306375 0.021592279 0.024413722 0.026095305 0.029459732 0.030136809 0.031637288 0.032147022 0.033330528 0.034852527 0.040147110 0.041075182 0.044348348 0.046472323 0.046931595 0.050746885 0.051860452 0.052607138 0.054039325 0.057958910 0.059207546 0.063691958 0.065593065 0.067453174 0.070507371 0.074715384 0.076751257 0.077236553 0.077677001 0.079098062 0.081347123 0.081788492 0.088963037 0.099629934 0.099992571 0.106191307 0.107150137 0.109837940 0.111978393 0.112817492 0.115915307 0.130468096 0.134518473 0.135121080 0.138925084 0.144380178 0.146391656 0.153521288 0.160755057 0.168712070 0.169847234 0.173202669 0.179798086 0.186471777 0.194957708 0.203281159 0.208420268 0.214867536 0.226673625 0.249573715 0.254086624 0.290561685 0.308637374 0.343010300 0.367251414 0.413944587 0.429573877 0.475801369 0.527632810 0.539187821 0.588598883 0.607229525 0.611009561 0.662526339 0.734458343 0.738508063 0.751714434 0.757566483 0.772798931 0.777848277 0.778835651 0.782071550 0.787345216 0.796744042 0.802682959 0.814014554 0.818656909 0.819675943 0.846950802 0.852309017 0.858345298 0.867148336 0.882717621 0.890536018 0.897095460 0.910075434 0.918271802 0.923898320 0.933223179 0.977332060 1.452806062 1.547948505</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">17</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.46671353" y3="-2.30028489" z3="10.91424579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41337614" y3="-1.34624038" z3="10.36005786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19644983" y3="-2.10475779" z3="11.96884428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.51930576" y3="-2.64296952" z3="10.89536914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.54220413" y3="-3.34518013" z3="10.29604711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.59684902" y3="-4.29489208" z3="10.86613934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49328324" y3="-3.00574439" z3="10.34336482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86096251" y3="-3.65630569" z3="8.83270394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8745096" y3="-4.09696327" z3="8.7622594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.12663171" y3="-4.389129" z3="8.45299864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65363084" y3="-2.06027621" z3="7.5429591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5583556" y3="-0.37335241" z3="6.05538833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32882786" y3="-0.46896913" z3="6.71023665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.6712134" y3="0.71048947" z3="5.83391174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21646404" y3="-1.09948297" z3="4.73672469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05011395" y3="-2.16740783" z3="4.97375372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.74150523" y3="-0.70585604" z3="4.338348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30613213" y3="-0.98103853" z3="3.67267912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.41490521" y3="0.08213182" z3="3.37381962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26586631" y3="-1.27228246" z3="4.13583592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08737568" y3="-1.83494665" z3="2.41949947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.97575153" y3="-1.74783595" z3="1.76465099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02993365" y3="-2.89918535" z3="2.71756538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1581788" y3="-1.47412536" z3="1.60944998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.14348744" y3="-0.40779537" z3="1.3160208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08171906" y3="-1.64501935" z3="2.18923888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.2270273" y3="-2.0768213" z3="0.68513044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62485709" y3="-2.66871407" z3="7.86827657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76370173" y3="-0.88132748" z3="6.79375095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76532029" y3="-0.57272189" z3="6.48173685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88575576" y3="-2.52381366" z3="8.01084556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50001338" y3="0.39395274" z3="11.65459789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.61903031" y3="0.93622802" z3="12.61117624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45680864" y3="0.46111162" z3="11.10499654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.3301613" y3="-0.67317284" z3="11.88619143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.65219214" y3="0.95436698" z3="10.82357287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.59657608" y3="0.88252923" z3="11.39199102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.48320137" y3="2.03342795" z3="10.6367854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83295395" y3="0.21434295" z3="9.49310916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.96147878" y3="-0.86343311" z3="9.69124176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.07274791" y3="0.30933154" z3="8.86981379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.04060967" y3="0.73086493" z3="8.73101776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.17010023" y3="0.67437527" z3="9.18979279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81109412" y3="1.42627987" z3="7.88623311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4667,-2.3003,10.9142;-3.4134,-1.3462,10.3601;-3.1964,-2.1048,11.9688;-4.5193,-2.643,10.8954;-2.5422,-3.3452,10.296;-2.5968,-4.2949,10.8661;-1.4933,-3.0057,10.3434;-2.861,-3.6563,8.8327;-3.8745,-4.097,8.7623;-2.1266,-4.3891,8.453;-1.6536,-2.0603,7.543;-.5584,-.3734,6.0554;.3288,-.469,6.7102;-.6712,.7105,5.8339;-.2165,-1.0995,4.7367;-.0501,-2.1674,4.9738;.7415,-.7059,4.3383;-1.3061,-.981,3.6727;-1.4149,.0821,3.3738;-2.2659,-1.2723,4.1358;-1.0874,-1.8349,2.4195;-1.9758,-1.7478,1.7647;-1.0299,-2.8992,2.7176;.1582,-1.4741,1.6094;.1435,-.4078,1.316;1.0817,-1.645,2.1892;.227,-2.0768,.6851;-.6249,-2.6687,7.8683;-1.7637,-.8813,6.7938;-2.7653,-.5727,6.4817;-2.8858,-2.5238,8.0108;.5,.394,11.6546;.619,.9362,12.6112;1.4568,.4611,11.105;.3302,-.6732,11.8862;-.6522,.9544,10.8236;-1.5966,.8825,11.392;-.4832,2.0334,10.6368;-.833,.2143,9.4931;-.9615,-.8634,9.6912;.0727,.3093,8.8698;-2.0406,.7309,8.731;-3.1701,.6744,9.1898;-1.8111,1.4263,7.8862;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603867362624</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000792430011 0.000148599594 0.032218573745 0.008703275600</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000685249 -0.000013386 0.000064410 0.000138386 0.000217684 0.000331477 0.000638969 0.001112801 0.001331695 0.001765021 0.002106739 0.002244229 0.002826984 0.002836915 0.003505402 0.004201090 0.005488457 0.006038051 0.006776272 0.008025519 0.009753902 0.011966781 0.014363715 0.018934837 0.021306424 0.021591894 0.024413741 0.026095372 0.029459783 0.030143902 0.031636629 0.032146499 0.033330371 0.034852270 0.040146747 0.041072694 0.044343708 0.046472487 0.046931342 0.050745982 0.051859609 0.052606783 0.054036827 0.057957594 0.059207592 0.063689749 0.065593309 0.067452719 0.070503428 0.074719905 0.076751975 0.077236030 0.077676826 0.079098069 0.081344208 0.081788448 0.088963622 0.099629766 0.099992375 0.106191068 0.107150075 0.109837671 0.111978463 0.112817195 0.115915330 0.130467825 0.134516846 0.135121008 0.138925365 0.144379585 0.146388643 0.153518801 0.160752721 0.168711280 0.169848229 0.173202585 0.179798521 0.186471742 0.194956951 0.203279838 0.208419379 0.214863717 0.226678221 0.249527224 0.254084821 0.290560119 0.308636167 0.343009198 0.367250365 0.413944516 0.429572141 0.475800943 0.527631151 0.539187136 0.588598625 0.607229449 0.611008745 0.662526162 0.734458290 0.738499631 0.751714291 0.757565199 0.772798738 0.777847049 0.778834778 0.782071467 0.787344631 0.796744030 0.802682904 0.813996243 0.818656875 0.819675945 0.846950785 0.852308765 0.858345290 0.867148093 0.882715490 0.890534938 0.897095324 0.910071808 0.918271124 0.923886012 0.933222464 0.977324230 1.452794281 1.547947250</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">18</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.46377409" y3="-2.29122907" z3="10.92074076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41174755" y3="-1.33791322" z3="10.36531612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19293536" y3="-2.09387537" z3="11.97486082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.51605593" y3="-2.63493779" z3="10.9030916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5385648" y3="-3.33579565" z3="10.30319951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.59037233" y3="-4.28413991" z3="10.87583199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49024883" y3="-2.99420589" z3="10.34771893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.85961067" y3="-3.65151928" z3="8.84124601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8721116" y3="-4.09512382" z3="8.77455961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.12429596" y3="-4.38377847" z3="8.46246936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6584782" y3="-2.05753673" z3="7.542979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56718543" y3="-0.373092" z3="6.04965132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31857164" y3="-0.46455307" z3="6.7070033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68392728" y3="0.71003912" z3="5.82658944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21885342" y3="-1.09869586" z3="4.73252844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04962205" y3="-2.16587939" z3="4.97087544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.73874698" y3="-0.70204853" z3="4.33628671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30643961" y3="-0.98452763" z3="3.66610692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.41812981" y3="0.07814802" z3="3.36646587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26601202" y3="-1.27880183" z3="4.12761001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08158671" y3="-1.83821955" z3="2.41409486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.9675327" y3="-1.75294716" z3="1.75579801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02313378" y3="-2.90225877" z3="2.71266858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.16655775" y3="-1.47476732" z3="1.6094244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.1510952" y3="-0.40825893" z3="1.31663624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08776154" y3="-1.64412777" z3="2.1932752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.24065887" y3="-2.07684169" z3="0.68518325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62751022" y3="-2.66066078" z3="7.87304442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77223396" y3="-0.88588259" z3="6.78480931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.774646" y3="-0.57656165" z3="6.47644112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88912791" y3="-2.52195387" z3="8.0158114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4999483" y3="0.37520487" z3="11.65178793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.61527" y3="0.90400945" z3="12.61626449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45631104" y3="0.45655668" z3="11.10268085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33660713" y3="-0.69632347" z3="11.86777933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.65558271" y3="0.94137685" z3="10.82986973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.5993826" y3="0.85388052" z3="11.39779785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.49406234" y3="2.02485966" z3="10.66047239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8314944" y3="0.22251911" z3="9.48695301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.9473774" y3="-0.86125296" z3="9.6644185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.07144611" y3="0.33778066" z3="8.8623076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.0448412" y3="0.7408978" z3="8.73546766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.17123698" y3="0.68259122" z3="9.2001252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.82322252" y3="1.4292334" z3="7.88413037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4638,-2.2912,10.9207;-3.4117,-1.3379,10.3653;-3.1929,-2.0939,11.9749;-4.5161,-2.6349,10.9031;-2.5386,-3.3358,10.3032;-2.5904,-4.2841,10.8758;-1.4902,-2.9942,10.3477;-2.8596,-3.6515,8.8412;-3.8721,-4.0951,8.7746;-2.1243,-4.3838,8.4625;-1.6585,-2.0575,7.543;-.5672,-.3731,6.0497;.3186,-.4646,6.707;-.6839,.71,5.8266;-.2189,-1.0987,4.7325;-.0496,-2.1659,4.9709;.7387,-.702,4.3363;-1.3064,-.9845,3.6661;-1.4181,.0781,3.3665;-2.266,-1.2788,4.1276;-1.0816,-1.8382,2.4141;-1.9675,-1.7529,1.7558;-1.0231,-2.9023,2.7127;.1666,-1.4748,1.6094;.1511,-.4083,1.3166;1.0878,-1.6441,2.1933;.2407,-2.0768,.6852;-.6275,-2.6607,7.873;-1.7722,-.8859,6.7848;-2.7746,-.5766,6.4764;-2.8891,-2.522,8.0158;.4999,.3752,11.6518;.6153,.904,12.6163;1.4563,.4566,11.1027;.3366,-.6963,11.8678;-.6556,.9414,10.8299;-1.5994,.8539,11.3978;-.4941,2.0249,10.6605;-.8315,.2225,9.487;-.9474,-.8613,9.6644;.0714,.3378,8.8623;-2.0448,.7409,8.7355;-3.1712,.6826,9.2001;-1.8232,1.4292,7.8841;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603868424337</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001203037550 0.000220546244 0.032571171822 0.008702655263</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000545332 -0.000024691 0.000080011 0.000136670 0.000229915 0.000351898 0.000543332 0.001113594 0.001331142 0.001763201 0.002108775 0.002244208 0.002829470 0.002836255 0.003505776 0.004201272 0.005488432 0.006036682 0.006776247 0.008026652 0.009764902 0.011971858 0.014366333 0.018935962 0.021308151 0.021592887 0.024421864 0.026101923 0.029459475 0.030145336 0.031636692 0.032148733 0.033330541 0.034853113 0.040146649 0.041072345 0.044345425 0.046472418 0.046931454 0.050743537 0.051859287 0.052606694 0.054037305 0.057957725 0.059207595 0.063702501 0.065601377 0.067452948 0.070503756 0.074718791 0.076751659 0.077236869 0.077676770 0.079098854 0.081350071 0.081788413 0.088963523 0.099629745 0.099992360 0.106190908 0.107149902 0.109837430 0.111978168 0.112817061 0.115915280 0.130467832 0.134517041 0.135120983 0.138925149 0.144379936 0.146388511 0.153520600 0.160754800 0.168711140 0.169849050 0.173202415 0.179798490 0.186472200 0.194958017 0.203295463 0.208432778 0.214863609 0.226675273 0.249570367 0.254083318 0.290560390 0.308636848 0.343008605 0.367249276 0.413944527 0.429571495 0.475800712 0.527637243 0.539186566 0.588598623 0.607230706 0.611056173 0.662526016 0.734458274 0.738518357 0.751714507 0.757565541 0.772798723 0.777851601 0.778839049 0.782071425 0.787348915 0.796744029 0.802682877 0.814002078 0.818656857 0.819676026 0.846950786 0.852308741 0.858346348 0.867148141 0.882741652 0.890534721 0.897095459 0.910071220 0.918270830 0.923886873 0.933222333 0.977322417 1.452799160 1.547950889</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">19</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.45952172" y3="-2.28143681" z3="10.92895957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41029236" y3="-1.32942988" z3="10.37116231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.18693998" y3="-2.08071742" z3="11.98201615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5112714" y3="-2.62698355" z3="10.91428036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5336094" y3="-3.32589739" z3="10.31243353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.58150095" y3="-4.27222665" z3="10.88883272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.48603782" y3="-2.98146171" z3="10.3528348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.85817545" y3="-3.6482115" z3="8.85253469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.86970351" y3="-4.09498344" z3="8.79089204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.12205464" y3="-4.38028333" z3="8.47496054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66442355" y3="-2.05743814" z3="7.54316195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5783961" y3="-0.37443015" z3="6.04417292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30612864" y3="-0.46118026" z3="6.7038157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69990372" y3="0.70809263" z3="5.82024088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22282915" y3="-1.09837173" z3="4.72820546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05003024" y3="-2.16489508" z3="4.96698701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.73442801" y3="-0.69753255" z3="4.33517397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30737896" y3="-0.98844964" z3="3.65824446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.42284717" y3="0.07397099" z3="3.35908502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26724822" y3="-1.28752813" z3="4.11636439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.07384995" y3="-1.84001234" z3="2.40625281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.95692613" y3="-1.75698063" z3="1.74374562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01323816" y3="-2.90420926" z3="2.70384853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.17711511" y3="-1.47137703" z3="1.6081585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.15996177" y3="-0.40435063" z3="1.31735774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.09601188" y3="-1.6390551" z3="2.19612323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.25748418" y3="-2.07153171" z3="0.68315161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63098452" y3="-2.65482796" z3="7.87729697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78251045" y3="-0.89315638" z3="6.77635315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78596131" y3="-0.58394584" z3="6.47129799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89322025" y3="-2.52247182" z3="8.02218459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49780334" y3="0.3546139" z3="11.64873303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.61404694" y3="0.87143827" z3="12.61946178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45462359" y3="0.44066947" z3="11.10256374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33202574" y3="-0.71885877" z3="11.85083925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.65659621" y3="0.93201386" z3="10.83302189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.60096951" y3="0.8369014" z3="11.39700211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.49433142" y3="2.01687278" z3="10.67852599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83128515" y3="0.23073539" z3="9.48173277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.93933207" y3="-0.85459093" z3="9.64508979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.06959515" y3="0.35909161" z3="8.85821151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.04922567" y3="0.74987173" z3="8.73916969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.1722291" y3="0.69342387" z3="9.21057391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.8347619" y3="1.42851718" z3="7.87731816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4595,-2.2814,10.929;-3.4103,-1.3294,10.3712;-3.1869,-2.0807,11.982;-4.5113,-2.627,10.9143;-2.5336,-3.3259,10.3124;-2.5815,-4.2722,10.8888;-1.486,-2.9815,10.3528;-2.8582,-3.6482,8.8525;-3.8697,-4.095,8.7909;-2.1221,-4.3803,8.475;-1.6644,-2.0574,7.5432;-.5784,-.3744,6.0442;.3061,-.4612,6.7038;-.6999,.7081,5.8202;-.2228,-1.0984,4.7282;-.05,-2.1649,4.967;.7344,-.6975,4.3352;-1.3074,-.9884,3.6582;-1.4228,.074,3.3591;-2.2672,-1.2875,4.1164;-1.0738,-1.84,2.4063;-1.9569,-1.757,1.7437;-1.0132,-2.9042,2.7038;.1771,-1.4714,1.6082;.16,-.4044,1.3174;1.096,-1.6391,2.1961;.2575,-2.0715,.6832;-.631,-2.6548,7.8773;-1.7825,-.8932,6.7764;-2.786,-.5839,6.4713;-2.8932,-2.5225,8.0222;.4978,.3546,11.6487;.614,.8714,12.6195;1.4546,.4407,11.1026;.332,-.7189,11.8508;-.6566,.932,10.833;-1.601,.8369,11.397;-.4943,2.0169,10.6785;-.8313,.2307,9.4817;-.9393,-.8546,9.6451;.0696,.3591,8.8582;-2.0492,.7499,8.7392;-3.1722,.6934,9.2106;-1.8348,1.4285,7.8773;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603869352384</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001040225188 0.000183853043 0.035808953855 0.008703979000</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000660750 -0.000219237 0.000060548 0.000142469 0.000227130 0.000428049 0.000829357 0.001116391 0.001340602 0.001771752 0.002108803 0.002247871 0.002835557 0.002850349 0.003506780 0.004201603 0.005488406 0.006035821 0.006776318 0.008026486 0.009768319 0.011974282 0.014369420 0.018936004 0.021307301 0.021591711 0.024430649 0.026120021 0.029459093 0.030147906 0.031636363 0.032152189 0.033330953 0.034853385 0.040146611 0.041072002 0.044346698 0.046472360 0.046931415 0.050741889 0.051859047 0.052606590 0.054039499 0.057957764 0.059207616 0.063716651 0.065610524 0.067453121 0.070504805 0.074718748 0.076751379 0.077238591 0.077677604 0.079101140 0.081362279 0.081788863 0.088963677 0.099629821 0.099992341 0.106190848 0.107150656 0.109837187 0.111977729 0.112816972 0.115915266 0.130467986 0.134517699 0.135121029 0.138924955 0.144380173 0.146387723 0.153520597 0.160754660 0.168710740 0.169848857 0.173202207 0.179798860 0.186473069 0.194960452 0.203324797 0.208466964 0.214864017 0.226668814 0.249574397 0.254080964 0.290561935 0.308637699 0.343008221 0.367247406 0.413944537 0.429570963 0.475800442 0.527650853 0.539186709 0.588599051 0.607232499 0.611148908 0.662526144 0.734458390 0.738631029 0.751714643 0.757566689 0.772798799 0.777861056 0.778850093 0.782071537 0.787359659 0.796744375 0.802682817 0.814003989 0.818656970 0.819676482 0.846950835 0.852308578 0.858350607 0.867148362 0.882779864 0.890535086 0.897095399 0.910070599 0.918272390 0.923895401 0.933222243 0.977318520 1.452800892 1.547950166</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">20</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.45219391" y3="-2.26976357" z3="10.92894819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.40064736" y3="-1.31940957" z3="10.36856036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.1765047" y3="-2.06760788" z3="11.98091697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50501587" y3="-2.61187127" z3="10.91754091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53106706" y3="-3.31860411" z3="10.31289074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.58068173" y3="-4.26346627" z3="10.89121727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.48256184" y3="-2.97736991" z3="10.35082311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.85955623" y3="-3.64381041" z3="8.8545523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8720989" y3="-4.08820181" z3="8.7963082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.12608614" y3="-4.37843708" z3="8.47679084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66689543" y3="-2.05504199" z3="7.5432004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58032334" y3="-0.37098069" z3="6.0464803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30428449" y3="-0.45673566" z3="6.70590434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70148972" y3="0.71100047" z3="5.82039495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22645931" y3="-1.09864191" z3="4.73281655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05434754" y3="-2.16450736" z3="4.97476543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.73079234" y3="-0.69971784" z3="4.33868832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31058359" y3="-0.99103628" z3="3.66239697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.42820803" y3="0.07108576" z3="3.36308327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27032363" y3="-1.29215399" z3="4.11923848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.07344129" y3="-1.84199654" z3="2.4108159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.95571726" y3="-1.76091567" z3="1.74717653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01066939" y3="-2.90607729" z3="2.70841074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.17762301" y3="-1.47044479" z3="1.61443878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.15905716" y3="-0.40313845" z3="1.32471909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.09621589" y3="-1.63733647" z3="2.20292856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.2597847" y3="-2.06945462" z3="0.68899247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63310999" y3="-2.6527004" z3="7.87540195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78418756" y3="-0.88684252" z3="6.7808628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7875221" y3="-0.5804568" z3="6.47237818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89457957" y3="-2.52034713" z3="8.02088767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49138333" y3="0.34495373" z3="11.64651146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.59495265" y3="0.85125509" z3="12.6248043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45019519" y3="0.45054822" z3="11.10450077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33872026" y3="-0.73390126" z3="11.83499636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.66578009" y3="0.91783901" z3="10.83190211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.61279993" y3="0.80109244" z3="11.3902974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.51873789" y3="2.00826683" z3="10.69246981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82045991" y3="0.2320041" z3="9.46925043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.90674784" y3="-0.86027372" z3="9.61695467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.08173554" y3="0.38692774" z3="8.84982093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.04390491" y3="0.74039515" z3="8.72655088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.16564116" y3="0.67859728" z3="9.20172411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.83476316" y3="1.42666477" z3="7.87005907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4522,-2.2698,10.9289;-3.4006,-1.3194,10.3686;-3.1765,-2.0676,11.9809;-4.505,-2.6119,10.9175;-2.5311,-3.3186,10.3129;-2.5807,-4.2635,10.8912;-1.4826,-2.9774,10.3508;-2.8596,-3.6438,8.8546;-3.8721,-4.0882,8.7963;-2.1261,-4.3784,8.4768;-1.6669,-2.055,7.5432;-.5803,-.371,6.0465;.3043,-.4567,6.7059;-.7015,.711,5.8204;-.2265,-1.0986,4.7328;-.0543,-2.1645,4.9748;.7308,-.6997,4.3387;-1.3106,-.991,3.6624;-1.4282,.0711,3.3631;-2.2703,-1.2922,4.1192;-1.0734,-1.842,2.4108;-1.9557,-1.7609,1.7472;-1.0107,-2.9061,2.7084;.1776,-1.4704,1.6144;.1591,-.4031,1.3247;1.0962,-1.6373,2.2029;.2598,-2.0695,.689;-.6331,-2.6527,7.8754;-1.7842,-.8868,6.7809;-2.7875,-.5805,6.4724;-2.8946,-2.5203,8.0209;.4914,.345,11.6465;.595,.8513,12.6248;1.4502,.4505,11.1045;.3387,-.7339,11.835;-.6658,.9178,10.8319;-1.6128,.8011,11.3903;-.5187,2.0083,10.6925;-.8205,.232,9.4693;-.9067,-.8603,9.617;.0817,.3869,8.8498;-2.0439,.7404,8.7266;-3.1656,.6786,9.2017;-1.8348,1.4267,7.8701;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603925545614</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002501865599 0.000445704385 0.032407715002 0.008703738238</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000651358 -0.000128496 0.000055675 0.000143496 0.000239555 0.000533911 0.001039435 0.001152267 0.001348947 0.001783349 0.002109709 0.002256770 0.002835430 0.002890546 0.003509434 0.004210438 0.005488474 0.006035793 0.006782183 0.008029304 0.009767837 0.011974677 0.014374353 0.018936503 0.021308066 0.021592340 0.024434017 0.026162036 0.029459707 0.030147693 0.031638061 0.032156539 0.033331941 0.034853994 0.040146790 0.041071924 0.044347195 0.046472369 0.046931400 0.050741209 0.051859464 0.052606526 0.054045580 0.057957816 0.059207774 0.063788775 0.065651350 0.067453763 0.070510036 0.074723276 0.076751062 0.077241234 0.077682911 0.079108912 0.081399529 0.081790256 0.088964204 0.099629876 0.099992351 0.106191249 0.107150630 0.109837463 0.111980300 0.112816939 0.115915329 0.130468655 0.134536187 0.135121333 0.138924810 0.144388778 0.146387801 0.153535512 0.160771617 0.168716787 0.169853216 0.173202398 0.179802957 0.186482256 0.194977490 0.203474833 0.208635529 0.214865203 0.226670325 0.250117781 0.254087627 0.290564243 0.308637655 0.343010811 0.367252302 0.413944554 0.429571075 0.475801689 0.527650439 0.539186777 0.588599884 0.607235065 0.611367938 0.662528022 0.734458437 0.738651188 0.751714654 0.757566788 0.772798792 0.777860812 0.778852922 0.782071856 0.787395942 0.796744339 0.802682899 0.814222949 0.818660615 0.819676849 0.846951235 0.852308652 0.858351990 0.867149407 0.883206032 0.890536220 0.897095404 0.910071818 0.918274738 0.923896493 0.933222761 0.977322209 1.452819658 1.547950542</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">21</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.44785117" y3="-2.26085455" z3="10.93506169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39741983" y3="-1.31130116" z3="10.37324999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.17064598" y3="-2.05673915" z3="11.98624859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50076934" y3="-2.60295208" z3="10.92572295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52728631" y3="-3.31045288" z3="10.319396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.57433" y3="-4.25375863" z3="10.90081526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47899685" y3="-2.96766948" z3="10.35342584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.85967893" y3="-3.64058217" z3="8.86290106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.87161032" y3="-4.08744226" z3="8.80938967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.12579732" y3="-4.37517428" z3="8.48574447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67278626" y3="-2.05527666" z3="7.54146556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5882424" y3="-0.37362437" z3="6.04032603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29453462" y3="-0.45653068" z3="6.70263557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.7126613" y3="0.70808163" z3="5.81415141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22707726" y3="-1.09871634" z3="4.72697913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05091654" y3="-2.16405548" z3="4.96845167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72949614" y3="-0.69500799" z3="4.33533555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30988047" y3="-0.99498289" z3="3.65495009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.43064748" y3="0.06673196" z3="3.35534168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.26890549" y3="-1.29927162" z3="4.1111522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.06799524" y3="-1.8452886" z3="2.40404173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.94855299" y3="-1.76589467" z3="1.73786185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.0038755" y3="-2.90921039" z3="2.70186084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.18488626" y3="-1.47066549" z3="1.61199125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.16502803" y3="-0.40306538" z3="1.32345789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.10172386" y3="-1.63609463" z3="2.20379095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.27167676" y3="-2.06862556" z3="0.68621749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63743332" y3="-2.64877134" z3="7.87742689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79261745" y3="-0.89476998" z3="6.77023585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79641371" y3="-0.58586824" z3="6.46597995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89944976" y3="-2.52009659" z3="8.02553395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49128724" y3="0.32780693" z3="11.64586883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.59066931" y3="0.81884737" z3="12.63193873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4497312" y3="0.44838503" z3="11.10772477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.34551979" y3="-0.75455301" z3="11.81675893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.66919192" y3="0.90679715" z3="10.84019983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.61528792" y3="0.77395429" z3="11.39481223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.52988113" y3="1.99993855" z3="10.72029444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.81960376" y3="0.24421497" z3="9.46602578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.89542453" y3="-0.84940263" z3="9.595308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.07958748" y3="0.41672884" z3="8.84973784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.04811013" y3="0.75386496" z3="8.73260678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.16653742" y3="0.69253202" z3="9.21434332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.84662444" y3="1.42820279" z3="7.8656103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4479,-2.2609,10.9351;-3.3974,-1.3113,10.3732;-3.1706,-2.0567,11.9862;-4.5008,-2.603,10.9257;-2.5273,-3.3105,10.3194;-2.5743,-4.2538,10.9008;-1.479,-2.9677,10.3534;-2.8597,-3.6406,8.8629;-3.8716,-4.0874,8.8094;-2.1258,-4.3752,8.4857;-1.6728,-2.0553,7.5415;-.5882,-.3736,6.0403;.2945,-.4565,6.7026;-.7127,.7081,5.8142;-.2271,-1.0987,4.727;-.0509,-2.1641,4.9685;.7295,-.695,4.3353;-1.3099,-.995,3.655;-1.4306,.0667,3.3553;-2.2689,-1.2993,4.1112;-1.068,-1.8453,2.404;-1.9486,-1.7659,1.7379;-1.0039,-2.9092,2.7019;.1849,-1.4707,1.612;.165,-.4031,1.3235;1.1017,-1.6361,2.2038;.2717,-2.0686,.6862;-.6374,-2.6488,7.8774;-1.7926,-.8948,6.7702;-2.7964,-.5859,6.466;-2.8994,-2.5201,8.0255;.4913,.3278,11.6459;.5907,.8188,12.6319;1.4497,.4484,11.1077;.3455,-.7546,11.8168;-.6692,.9068,10.8402;-1.6153,.774,11.3948;-.5299,1.9999,10.7203;-.8196,.2442,9.466;-.8954,-.8494,9.5953;.0796,.4167,8.8497;-2.0481,.7539,8.7326;-3.1665,.6925,9.2143;-1.8466,1.4282,7.8656;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603938941889</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001050005744 0.000201669878 0.038716426137 0.008704096088</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000904658 -0.000020961 0.000079276 0.000143783 0.000254114 0.000531926 0.001045186 0.001179005 0.001369914 0.001790229 0.002109897 0.002260034 0.002835612 0.002914973 0.003509490 0.004224372 0.005488510 0.006035731 0.006805401 0.008050853 0.009767683 0.011974657 0.014377406 0.018937286 0.021307033 0.021591874 0.024435732 0.026194162 0.029463695 0.030149948 0.031639215 0.032156652 0.033332637 0.034855389 0.040146978 0.041077578 0.044347708 0.046472378 0.046931412 0.050739886 0.051860252 0.052606383 0.054046835 0.057957899 0.059207775 0.063803407 0.065643358 0.067454373 0.070506841 0.074720011 0.076750537 0.077240216 0.077680816 0.079105872 0.081383477 0.081789528 0.088964146 0.099629875 0.099992362 0.106191380 0.107150179 0.109837850 0.111980237 0.112816847 0.115915269 0.130468676 0.134537847 0.135121712 0.138924647 0.144387924 0.146387219 0.153529836 0.160767782 0.168717071 0.169852187 0.173202149 0.179802988 0.186481584 0.194978754 0.203457302 0.208616945 0.214864975 0.226668342 0.249971049 0.254084559 0.290564458 0.308637453 0.343010278 0.367247375 0.413944442 0.429570564 0.475802069 0.527651219 0.539186077 0.588599794 0.607235046 0.611361423 0.662527745 0.734458298 0.738652674 0.751714643 0.757566570 0.772798770 0.777860812 0.778848260 0.782071802 0.787393830 0.796744243 0.802682848 0.814210415 0.818660761 0.819676675 0.846951267 0.852308463 0.858351820 0.867149261 0.883194614 0.890535746 0.897095190 0.910071313 0.918274588 0.923892850 0.933222601 0.977318208 1.452819271 1.547949831</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">22</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.44102498" y3="-2.25021616" z3="10.93753478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39041298" y3="-1.30221405" z3="10.37312019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.16028744" y3="-2.04376606" z3="11.98736724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.49460646" y3="-2.59052642" z3="10.93224648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52385605" y3="-3.30288504" z3="10.32214468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5706761" y3="-4.24451673" z3="10.90623818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47510159" y3="-2.96138672" z3="10.35212212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86085499" y3="-3.63707366" z3="8.86760051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.87361412" y3="-4.082271" z3="8.81830019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.12949789" y3="-4.37446551" z3="8.49092068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67517857" y3="-2.0539847" z3="7.54351554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59101131" y3="-0.37461549" z3="6.03956928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29089738" y3="-0.45726156" z3="6.70288337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71544847" y3="0.70701643" z3="5.81301178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22917985" y3="-1.10007135" z3="4.72704984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0524794" y3="-2.16512332" z3="4.96936926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72713018" y3="-0.69606221" z3="4.33554689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31139063" y3="-0.99786505" z3="3.65430716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.43390604" y3="0.06374528" z3="3.35513417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27037689" y3="-1.30422706" z3="4.10937742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.0665376" y3="-1.84704623" z3="2.40316775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.94641429" y3="-1.7687487" z3="1.73600938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00102153" y3="-2.91106113" z3="2.70038488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.18660114" y3="-1.46991271" z3="1.61275213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.16579499" y3="-0.40198643" z3="1.32551454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.10308315" y3="-1.63506375" z3="2.20498885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.27479922" y3="-2.06657141" z3="0.68638436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.6385075" y3="-2.64362579" z3="7.88565705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79572257" y3="-0.89618272" z3="6.76810566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79946638" y3="-0.58811331" z3="6.4631889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.90145101" y3="-2.51980682" z3="8.02598566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48453896" y3="0.31471187" z3="11.64644697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.57501804" y3="0.79258335" z3="12.63969177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44466671" y3="0.45168339" z3="11.1155921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.34751581" y3="-0.77093224" z3="11.80075537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.67751833" y3="0.89339738" z3="10.84342322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.62569668" y3="0.73952971" z3="11.38887282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.55014163" y3="1.98988662" z3="10.74319843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.81095581" y3="0.25333797" z3="9.4571514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.86487298" y3="-0.8459864" z3="9.56340764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.08773449" y3="0.45544526" z3="8.84629136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.04563125" y3="0.75494763" z3="8.72791267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.16163533" y3="0.69033574" z3="9.21406612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.85166523" y3="1.42633639" z3="7.85606406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.441,-2.2502,10.9375;-3.3904,-1.3022,10.3731;-3.1603,-2.0438,11.9874;-4.4946,-2.5905,10.9322;-2.5239,-3.3029,10.3221;-2.5707,-4.2445,10.9062;-1.4751,-2.9614,10.3521;-2.8609,-3.6371,8.8676;-3.8736,-4.0823,8.8183;-2.1295,-4.3745,8.4909;-1.6752,-2.054,7.5435;-.591,-.3746,6.0396;.2909,-.4573,6.7029;-.7154,.707,5.813;-.2292,-1.1001,4.727;-.0525,-2.1651,4.9694;.7271,-.6961,4.3355;-1.3114,-.9979,3.6543;-1.4339,.0637,3.3551;-2.2704,-1.3042,4.1094;-1.0665,-1.847,2.4032;-1.9464,-1.7687,1.736;-1.001,-2.9111,2.7004;.1866,-1.4699,1.6128;.1658,-.402,1.3255;1.1031,-1.6351,2.205;.2748,-2.0666,.6864;-.6385,-2.6436,7.8857;-1.7957,-.8962,6.7681;-2.7995,-.5881,6.4632;-2.9015,-2.5198,8.026;.4845,.3147,11.6464;.575,.7926,12.6397;1.4447,.4517,11.1156;.3475,-.7709,11.8008;-.6775,.8934,10.8434;-1.6257,.7395,11.3889;-.5501,1.9899,10.7432;-.811,.2533,9.4572;-.8649,-.846,9.5634;.0877,.4554,8.8463;-2.0456,.7549,8.7279;-3.1616,.6903,9.2141;-1.8517,1.4263,7.8561;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.603985712268</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001645017449 0.000356864169 0.035592222386 0.008704639799</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000905874 -0.000202001 0.000070159 0.000148370 0.000242483 0.000493359 0.001045045 0.001175199 0.001421269 0.001788894 0.002113976 0.002259617 0.002849440 0.002979622 0.003511480 0.004223947 0.005489155 0.006033999 0.006816370 0.008053980 0.009767575 0.011976015 0.014378987 0.018937778 0.021305843 0.021591708 0.024437446 0.026209452 0.029469400 0.030154660 0.031640789 0.032157753 0.033333594 0.034856510 0.040147343 0.041078081 0.044348516 0.046472459 0.046931428 0.050740188 0.051860662 0.052606280 0.054048260 0.057958124 0.059208000 0.063813856 0.065641188 0.067454092 0.070507017 0.074717945 0.076750354 0.077241885 0.077680545 0.079105603 0.081387180 0.081789408 0.088964212 0.099629865 0.099992320 0.106192518 0.107149495 0.109839705 0.111980227 0.112816887 0.115915276 0.130469752 0.134558694 0.135122163 0.138924584 0.144388766 0.146388150 0.153531566 0.160770738 0.168717464 0.169852721 0.173202146 0.179804229 0.186481642 0.194981260 0.203457673 0.208618266 0.214880560 0.226689272 0.249958966 0.254084692 0.290565051 0.308644469 0.343010330 0.367258478 0.413944361 0.429570243 0.475805584 0.527649989 0.539186402 0.588600080 0.607236283 0.611386914 0.662527656 0.734458310 0.738652330 0.751714664 0.757566614 0.772798789 0.777876320 0.778866541 0.782071986 0.787394774 0.796744226 0.802683318 0.814250081 0.818661593 0.819676635 0.846951399 0.852308446 0.858352248 0.867150775 0.883224928 0.890536068 0.897095102 0.910073653 0.918274546 0.923891953 0.933222889 0.977350452 1.452838056 1.547954632</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">23</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.43322422" y3="-2.2382784" z3="10.93921086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38356636" y3="-1.29264049" z3="10.37052282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.1478435" y3="-2.02795041" z3="11.98705735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.48723283" y3="-2.57741074" z3="10.93957553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51954575" y3="-3.29431271" z3="10.32446966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.56595342" y3="-4.23427137" z3="10.9113374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47031196" y3="-2.9540933" z3="10.35045491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86146462" y3="-3.63230332" z3="8.87196612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.87491802" y3="-4.07647493" z3="8.82689366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13203873" y3="-4.37146858" z3="8.4948539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67878478" y3="-2.05112938" z3="7.54340745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59306946" y3="-0.37260717" z3="6.04023213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.2884442" y3="-0.45343229" z3="6.70435295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71796292" y3="0.70854534" z3="5.81161954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23077661" y3="-1.10062541" z3="4.72939912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05303879" y3="-2.16507408" z3="4.97365442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72518005" y3="-0.69641665" z3="4.33718264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31328399" y3="-1.00138143" z3="3.65670293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.43873512" y3="0.05994456" z3="3.35764485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2714994" y3="-1.31028994" z3="4.11157606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.06565711" y3="-1.849811" z3="2.40562478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.94555817" y3="-1.77405839" z3="1.73817756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99696593" y3="-2.91368368" z3="2.70272333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.18677895" y3="-1.46857032" z3="1.61599437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.1629052" y3="-0.4004548" z3="1.32960744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.10353216" y3="-1.63131353" z3="2.20866299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.27730752" y3="-2.06442339" z3="0.68921953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.64190515" y3="-2.63987778" z3="7.88353242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79806069" y3="-0.89243704" z3="6.76990535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.80162924" y3="-0.5861591" z3="6.46213092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.90390497" y3="-2.51711155" z3="8.02714736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47750724" y3="0.30189227" z3="11.64491254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.55095517" y3="0.76232277" z3="12.64907273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44046921" y3="0.46485925" z3="11.12403336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.35629223" y3="-0.79016876" z3="11.77720978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.6863202" y3="0.87804394" z3="10.8424451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6362797" y3="0.70393749" z3="11.37860078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.57308767" y3="1.9773803" z3="10.75984229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.80312737" y3="0.25647707" z3="9.44706554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.84355998" y3="-0.84201663" z3="9.53843923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.09609592" y3="0.4761324" z3="8.84732252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.0403066" y3="0.75065135" z3="8.71597018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.15550188" y3="0.68507104" z3="9.20546032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.8487145" y3="1.4243761" z3="7.84715812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4332,-2.2383,10.9392;-3.3836,-1.2926,10.3705;-3.1478,-2.028,11.9871;-4.4872,-2.5774,10.9396;-2.5195,-3.2943,10.3245;-2.566,-4.2343,10.9113;-1.4703,-2.9541,10.3505;-2.8615,-3.6323,8.872;-3.8749,-4.0765,8.8269;-2.132,-4.3715,8.4949;-1.6788,-2.0511,7.5434;-.5931,-.3726,6.0402;.2884,-.4534,6.7044;-.718,.7085,5.8116;-.2308,-1.1006,4.7294;-.053,-2.1651,4.9737;.7252,-.6964,4.3372;-1.3133,-1.0014,3.6567;-1.4387,.0599,3.3576;-2.2715,-1.3103,4.1116;-1.0657,-1.8498,2.4056;-1.9456,-1.7741,1.7382;-.997,-2.9137,2.7027;.1868,-1.4686,1.616;.1629,-.4005,1.3296;1.1035,-1.6313,2.2087;.2773,-2.0644,.6892;-.6419,-2.6399,7.8835;-1.7981,-.8924,6.7699;-2.8016,-.5862,6.4621;-2.9039,-2.5171,8.0271;.4775,.3019,11.6449;.551,.7623,12.6491;1.4405,.4649,11.124;.3563,-.7902,11.7772;-.6863,.878,10.8424;-1.6363,.7039,11.3786;-.5731,1.9774,10.7598;-.8031,.2565,9.4471;-.8436,-.842,9.5384;.0961,.4761,8.8473;-2.0403,.7507,8.716;-3.1555,.6851,9.2055;-1.8487,1.4244,7.8472;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604037550798</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002816470779 0.000437826212 0.027441800323 0.008702890918</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.001557358 -0.000479107 0.000070610 0.000146874 0.000244791 0.000508804 0.001060020 0.001173760 0.001539186 0.001788933 0.002116147 0.002277238 0.002857503 0.003502715 0.003910696 0.004269652 0.005489176 0.006035091 0.006818429 0.008070184 0.009793447 0.011979841 0.014407066 0.018940955 0.021305272 0.021594066 0.024459110 0.026330445 0.029486012 0.030166150 0.031642677 0.032184784 0.033344544 0.034862483 0.040147669 0.041088176 0.044349514 0.046472660 0.046931470 0.050739466 0.051860699 0.052606205 0.054050477 0.057958400 0.059207801 0.063816101 0.065640078 0.067453864 0.070508910 0.074718883 0.076749624 0.077241958 0.077684872 0.079105500 0.081396199 0.081789542 0.088964155 0.099630032 0.099992360 0.106195313 0.107153080 0.109842747 0.111980227 0.112817230 0.115915310 0.130470952 0.134608500 0.135123614 0.138924796 0.144387617 0.146395869 0.153540430 0.160789361 0.168719007 0.169859170 0.173202207 0.179812315 0.186483950 0.194993215 0.203451346 0.208608481 0.215063322 0.226838542 0.249912073 0.254086178 0.290572056 0.308686216 0.343011227 0.367593283 0.413948123 0.429570574 0.475809501 0.527715808 0.539186200 0.588601214 0.607239948 0.611402885 0.662527747 0.734458283 0.738681850 0.751714870 0.757567764 0.772799183 0.778057358 0.779295486 0.782072343 0.787406995 0.796744235 0.802684933 0.814245738 0.818661602 0.819676859 0.846951603 0.852308717 0.858352543 0.867153325 0.883219547 0.890537763 0.897095075 0.910080482 0.918274667 0.923890619 0.933224631 0.977432206 1.452849869 1.547965717</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">24</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.42673562" y3="-2.23349685" z3="10.93548642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37747233" y3="-1.28931686" z3="10.36378169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.136641" y3="-2.02123913" z3="11.98173555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.48128104" y3="-2.57123156" z3="10.94107956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51703585" y3="-3.29261825" z3="10.32001212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.56421097" y3="-4.23204927" z3="10.90777275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46678707" y3="-2.95498393" z3="10.3437322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86264537" y3="-3.63162051" z3="8.86856334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.87777741" y3="-4.07179138" z3="8.82525223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13663969" y3="-4.37358251" z3="8.4904719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67806521" y3="-2.05122145" z3="7.54201615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59086748" y3="-0.36610289" z3="6.04712315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29260609" y3="-0.44614331" z3="6.70860006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71487546" y3="0.71452633" z3="5.81613211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23407689" y3="-1.09924198" z3="4.73807915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05841761" y3="-2.1634314" z3="4.9850502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72224947" y3="-0.69865107" z3="4.34324998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31747176" y3="-1.00031358" z3="3.66619806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.44366704" y3="0.06100381" z3="3.36755032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27573064" y3="-1.30986192" z3="4.12068336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.06906716" y3="-1.8480645" z3="2.41462068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.94951002" y3="-1.77362983" z3="1.74771187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99832223" y3="-2.91193822" z3="2.71124845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.18223442" y3="-1.46440666" z3="1.62411312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.15663067" y3="-0.39614155" z3="1.33844612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.09992877" y3="-1.62632275" z3="2.21553648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.27259126" y3="-2.05947461" z3="0.6968081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.64213607" y3="-2.64576146" z3="7.87277338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79487332" y3="-0.87997243" z3="6.78326322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79800372" y3="-0.5769212" z3="6.47063494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.90253339" y3="-2.5169299" z3="8.02207548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46754367" y3="0.30622115" z3="11.64673155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.54086144" y3="0.78340967" z3="12.63893639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4332995" y3="0.45171408" z3="11.13212067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.33821562" y3="-0.77727307" z3="11.7985808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.68951883" y3="0.87345336" z3="10.82923739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.64366764" y3="0.70529217" z3="11.3576522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.57458122" y3="1.97039535" z3="10.73705543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.79552787" y3="0.24081692" z3="9.43910736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.82934943" y3="-0.85832346" z3="9.53808418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.10762425" y3="0.46337989" z3="8.84304288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.0311763" y3="0.72587724" z3="8.69681991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.14928191" y3="0.65762924" z3="9.18313006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.83419937" y3="1.41772556" z3="7.8420719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4267,-2.2335,10.9355;-3.3775,-1.2893,10.3638;-3.1366,-2.0212,11.9817;-4.4813,-2.5712,10.9411;-2.517,-3.2926,10.32;-2.5642,-4.232,10.9078;-1.4668,-2.955,10.3437;-2.8626,-3.6316,8.8686;-3.8778,-4.0718,8.8253;-2.1366,-4.3736,8.4905;-1.6781,-2.0512,7.542;-.5909,-.3661,6.0471;.2926,-.4461,6.7086;-.7149,.7145,5.8161;-.2341,-1.0992,4.7381;-.0584,-2.1634,4.9851;.7222,-.6987,4.3432;-1.3175,-1.0003,3.6662;-1.4437,.061,3.3676;-2.2757,-1.3099,4.1207;-1.0691,-1.8481,2.4146;-1.9495,-1.7736,1.7477;-.9983,-2.9119,2.7112;.1822,-1.4644,1.6241;.1566,-.3961,1.3384;1.0999,-1.6263,2.2155;.2726,-2.0595,.6968;-.6421,-2.6458,7.8728;-1.7949,-.88,6.7833;-2.798,-.5769,6.4706;-2.9025,-2.5169,8.0221;.4675,.3062,11.6467;.5409,.7834,12.6389;1.4333,.4517,11.1321;.3382,-.7773,11.7986;-.6895,.8735,10.8292;-1.6437,.7053,11.3577;-.5746,1.9704,10.7371;-.7955,.2408,9.4391;-.8293,-.8583,9.5381;.1076,.4634,8.843;-2.0312,.7259,8.6968;-3.1493,.6576,9.1831;-1.8342,1.4177,7.8421;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604043803097</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003039775993 0.000557505040 0.035925572535 0.008703215738</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.003592782 -0.000242895 0.000073281 0.000148611 0.000254599 0.000504513 0.001113395 0.001528244 0.001606781 0.001883448 0.002116612 0.002351800 0.002861064 0.003510914 0.004212312 0.005184258 0.005494191 0.006100733 0.006818458 0.008221695 0.009911469 0.012000761 0.014475493 0.018945778 0.021312608 0.021597600 0.024461922 0.026368086 0.029491221 0.030182090 0.031643271 0.032181351 0.033345719 0.034869724 0.040147675 0.041124698 0.044349896 0.046472697 0.046931480 0.050756851 0.051861174 0.052606305 0.054050280 0.057958445 0.059208217 0.063823375 0.065663603 0.067453956 0.070525634 0.074723884 0.076750972 0.077244263 0.077685119 0.079114403 0.081506971 0.081793257 0.088965216 0.099630412 0.099992413 0.106196333 0.107155181 0.109842641 0.112025295 0.112817885 0.115915434 0.130471067 0.134647023 0.135124183 0.138926963 0.144444099 0.146430113 0.153540788 0.160795834 0.168736595 0.169875057 0.173216214 0.179826648 0.186515817 0.195018486 0.203455451 0.208738181 0.215350918 0.227026337 0.250376130 0.254102431 0.290573362 0.308739050 0.343012557 0.368312395 0.413955383 0.429571537 0.475813410 0.528245472 0.539209992 0.588601750 0.607240552 0.611407197 0.662528307 0.734458317 0.738685607 0.751714952 0.757568060 0.772800082 0.778156908 0.780070967 0.782072917 0.787439220 0.796745276 0.802684991 0.814278247 0.818661721 0.819679437 0.846951637 0.852309211 0.858386088 0.867156466 0.883267532 0.890538671 0.897095503 0.910081835 0.918275404 0.923935234 0.933227221 0.977442444 1.452872847 1.547970983</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">25</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.42352364" y3="-2.22842596" z3="10.93194318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37283235" y3="-1.28586534" z3="10.3577999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.13095891" y3="-2.01449055" z3="11.97699174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.47860601" y3="-2.56395586" z3="10.94033929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51696241" y3="-3.29043845" z3="10.31697966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.56549209" y3="-4.22926813" z3="10.90534067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46619004" y3="-2.95491747" z3="10.33925137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86482828" y3="-3.62983532" z3="8.86647635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88121538" y3="-4.06659725" z3="8.82413701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14155071" y3="-4.37435579" z3="8.4881037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67701406" y3="-2.05083546" z3="7.54276172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58527425" y3="-0.36703577" z3="6.0498452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29813219" y3="-0.45028139" z3="6.71052527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70596594" y3="0.71383511" z3="5.81906423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23258451" y3="-1.10140737" z3="4.74084543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05743044" y3="-2.16551958" z3="4.98821109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72309549" y3="-0.70219609" z3="4.34335876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31864934" y3="-1.00225109" z3="3.67198453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.44543344" y3="0.05897736" z3="3.37348335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27556374" y3="-1.3114966" z3="4.12909953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.07354978" y3="-1.85013834" z3="2.42029373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.95558195" y3="-1.77598687" z3="1.7556917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00183237" y3="-2.91381721" z3="2.71724108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.17554024" y3="-1.46615227" z3="1.62692492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.14893292" y3="-0.39785201" z3="1.34164972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.09449539" y3="-1.62800974" z3="2.21620437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.26390762" y3="-2.06082445" z3="0.69941852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.6422041" y3="-2.64728878" z3="7.87357524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79055366" y3="-0.87656371" z3="6.78704769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79269592" y3="-0.57345354" z3="6.47179919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.9022192" y3="-2.5156025" z3="8.01926944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46085184" y3="0.30322075" z3="11.65016913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.51616834" y3="0.76336308" z3="12.65592176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.42958501" y3="0.47527969" z3="11.14363978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.34851162" y3="-0.79012455" z3="11.77969572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.69766633" y3="0.8670751" z3="10.83094056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6538789" y3="0.67719748" z3="11.35121819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.59860705" y3="1.96913819" z3="10.75476854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.78331796" y3="0.25042446" z3="9.43039146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.79420621" y3="-0.85333242" z3="9.51351093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1188167" y3="0.49930546" z3="8.83948257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.02466982" y3="0.72300497" z3="8.68726423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.14192004" y3="0.64827615" z3="9.17648864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.83342033" y3="1.41860937" z3="7.83322375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4235,-2.2284,10.9319;-3.3728,-1.2859,10.3578;-3.131,-2.0145,11.977;-4.4786,-2.564,10.9403;-2.517,-3.2904,10.317;-2.5655,-4.2293,10.9053;-1.4662,-2.9549,10.3393;-2.8648,-3.6298,8.8665;-3.8812,-4.0666,8.8241;-2.1416,-4.3744,8.4881;-1.677,-2.0508,7.5428;-.5853,-.367,6.0498;.2981,-.4503,6.7105;-.706,.7138,5.8191;-.2326,-1.1014,4.7408;-.0574,-2.1655,4.9882;.7231,-.7022,4.3434;-1.3186,-1.0023,3.672;-1.4454,.059,3.3735;-2.2756,-1.3115,4.1291;-1.0735,-1.8501,2.4203;-1.9556,-1.776,1.7557;-1.0018,-2.9138,2.7172;.1755,-1.4662,1.6269;.1489,-.3979,1.3416;1.0945,-1.628,2.2162;.2639,-2.0608,.6994;-.6422,-2.6473,7.8736;-1.7906,-.8766,6.787;-2.7927,-.5735,6.4718;-2.9022,-2.5156,8.0193;.4609,.3032,11.6502;.5162,.7634,12.6559;1.4296,.4753,11.1436;.3485,-.7901,11.7797;-.6977,.8671,10.8309;-1.6539,.6772,11.3512;-.5986,1.9691,10.7548;-.7833,.2504,9.4304;-.7942,-.8533,9.5135;.1188,.4993,8.8395;-2.0247,.723,8.6873;-3.1419,.6483,9.1765;-1.8334,1.4186,7.8332;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604092739817</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003455338457 0.000583548075 0.032177629965 0.008702405942</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.004104633 -0.000352273 0.000072012 0.000150277 0.000278459 0.000532777 0.001113819 0.001531910 0.001711483 0.002055348 0.002158809 0.002544465 0.002877930 0.003530963 0.004220568 0.005200546 0.005503307 0.006128335 0.006818039 0.008317632 0.009939413 0.012011159 0.014494064 0.018959411 0.021309969 0.021600904 0.024462026 0.026382580 0.029494537 0.030179819 0.031643590 0.032191897 0.033351342 0.034869067 0.040147866 0.041120318 0.044352800 0.046472729 0.046931672 0.050810419 0.051861374 0.052606877 0.054057951 0.057958599 0.059207814 0.063918702 0.065747853 0.067455527 0.070539322 0.074737134 0.076751882 0.077245012 0.077693499 0.079113324 0.081494347 0.081792056 0.088965480 0.099631947 0.099992418 0.106196762 0.107155347 0.109844854 0.112106289 0.112818775 0.115915548 0.130471703 0.134652429 0.135124232 0.138926623 0.144507933 0.146441031 0.153545062 0.160800780 0.168756869 0.169913130 0.173219470 0.179825304 0.186511875 0.195016689 0.203530633 0.208885326 0.215336608 0.227010330 0.251754836 0.254139970 0.290573738 0.308736480 0.343012989 0.368421318 0.413959190 0.429571876 0.475816085 0.528428171 0.539217597 0.588603625 0.607248483 0.611691457 0.662530274 0.734459790 0.738686396 0.751715186 0.757568648 0.772800684 0.778156427 0.780055180 0.782072889 0.787448367 0.796745164 0.802685008 0.814841061 0.818667954 0.819684347 0.846952116 0.852310549 0.858462107 0.867162077 0.883687665 0.890543583 0.897096161 0.910082146 0.918275832 0.923947738 0.933230028 0.977449464 1.452886599 1.547970951</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">26</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.41474843" y3="-2.21801301" z3="10.92933466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36697262" y3="-1.27812103" z3="10.34987574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.11594336" y3="-1.99927181" z3="11.97179217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46989706" y3="-2.55358451" z3="10.94537975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51161467" y3="-3.28303894" z3="10.31456947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.55949598" y3="-4.22055237" z3="10.90526728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46024187" y3="-2.94884776" z3="10.33276778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86440352" y3="-3.6255367" z3="8.86595607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88265227" y3="-4.05824602" z3="8.82676607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14502966" y3="-4.37366097" z3="8.48728531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67498253" y3="-2.04851192" z3="7.54242571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57949182" y3="-0.36344244" z3="6.05383677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30531038" y3="-0.44781986" z3="6.71254922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69728562" y3="0.71716676" z3="5.82084653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23345334" y3="-1.10289393" z3="4.74616638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05906735" y3="-2.16668825" z3="4.99557964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72162407" y3="-0.70650469" z3="4.34461763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32245335" y3="-1.00482293" z3="3.68001728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45176673" y3="0.05644205" z3="3.38268443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27819514" y3="-1.31597824" z3="4.13852608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.07818723" y3="-1.85131212" z3="2.42694546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.96213492" y3="-1.77901317" z3="1.7646124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00285808" y3="-2.91512399" z3="2.72270761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.16798858" y3="-1.46312638" z3="1.63075963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.13800818" y3="-0.39440903" z3="1.34725092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08903316" y3="-1.6236034" z3="2.21719942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.25533289" y3="-2.05625287" z3="0.70207688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.64106351" y3="-2.64883011" z3="7.8673366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78487013" y3="-0.86482912" z3="6.79722135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78614141" y3="-0.56483323" z3="6.47598766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89971707" y3="-2.51283795" z3="8.0153934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.44717111" y3="0.29868901" z3="11.65341541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.48399071" y3="0.75415531" z3="12.66089024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.42040272" y3="0.48532941" z3="11.16071676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.34599726" y3="-0.7951634" z3="11.77709489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.70764532" y3="0.85427016" z3="10.82378681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6672626" y3="0.65276725" z3="11.33192332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.61931462" y3="1.95630584" z3="10.75335141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.77445203" y3="0.24294511" z3="9.42143524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.78005238" y3="-0.85528274" z3="9.50523942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.13032984" y3="0.49733999" z3="8.84506211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.01300105" y3="0.70614258" z3="8.66574914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.1325504" y3="0.63064676" z3="9.15286272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.8166046" y3="1.41733997" z3="7.8271101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4147,-2.218,10.9293;-3.367,-1.2781,10.3499;-3.1159,-1.9993,11.9718;-4.4699,-2.5536,10.9454;-2.5116,-3.283,10.3146;-2.5595,-4.2206,10.9053;-1.4602,-2.9488,10.3328;-2.8644,-3.6255,8.866;-3.8827,-4.0582,8.8268;-2.145,-4.3737,8.4873;-1.675,-2.0485,7.5424;-.5795,-.3634,6.0538;.3053,-.4478,6.7125;-.6973,.7172,5.8208;-.2335,-1.1029,4.7462;-.0591,-2.1667,4.9956;.7216,-.7065,4.3446;-1.3225,-1.0048,3.68;-1.4518,.0564,3.3827;-2.2782,-1.316,4.1385;-1.0782,-1.8513,2.4269;-1.9621,-1.779,1.7646;-1.0029,-2.9151,2.7227;.168,-1.4631,1.6308;.138,-.3944,1.3473;1.089,-1.6236,2.2172;.2553,-2.0563,.7021;-.6411,-2.6488,7.8673;-1.7849,-.8648,6.7972;-2.7861,-.5648,6.476;-2.8997,-2.5128,8.0154;.4472,.2987,11.6534;.484,.7542,12.6609;1.4204,.4853,11.1607;.346,-.7952,11.7771;-.7076,.8543,10.8238;-1.6673,.6528,11.3319;-.6193,1.9563,10.7534;-.7745,.2429,9.4214;-.7801,-.8553,9.5052;.1303,.4973,8.8451;-2.013,.7061,8.6657;-3.1326,.6306,9.1529;-1.8166,1.4173,7.8271;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604135436908</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003251737101 0.000529990028 0.036551919016 0.008704939099</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.004060188 -0.001180505 0.000073911 0.000150399 0.000272636 0.000542448 0.001115464 0.001533860 0.001774548 0.002119002 0.002186406 0.002700036 0.002927411 0.003553142 0.004222748 0.005420523 0.005514201 0.006128739 0.006848769 0.008357541 0.009955778 0.012010374 0.014493642 0.018955186 0.021309514 0.021601830 0.024481083 0.026785675 0.029506204 0.030186339 0.031655287 0.032244289 0.033365347 0.034899069 0.040148084 0.041139727 0.044365815 0.046472750 0.046933601 0.050841582 0.051863404 0.052606831 0.054056089 0.057959080 0.059207535 0.063929178 0.065802656 0.067455573 0.070561445 0.074740607 0.076752017 0.077249121 0.077704720 0.079114691 0.081524866 0.081792187 0.088975057 0.099631767 0.099992858 0.106197643 0.107157569 0.109847044 0.112130155 0.112818720 0.115915628 0.130472109 0.134762036 0.135125690 0.138928511 0.144527797 0.146453963 0.153580199 0.160845811 0.168767125 0.169955148 0.173219648 0.179829700 0.186528189 0.195032157 0.203545418 0.208877727 0.215412275 0.227077283 0.251967590 0.254169801 0.290581705 0.308760706 0.343015016 0.368645575 0.413960166 0.429572537 0.475816221 0.528446316 0.539217768 0.588604954 0.607252929 0.612048343 0.662533028 0.734460797 0.738762678 0.751715231 0.757568957 0.772801018 0.778212356 0.780692700 0.782075499 0.787453812 0.796746141 0.802685209 0.815042949 0.818670168 0.819685242 0.846952232 0.852310918 0.858514338 0.867164011 0.883881592 0.890546996 0.897097025 0.910083006 0.918276453 0.923978804 0.933231879 0.977454766 1.453013462 1.547978073</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">27</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.41225087" y3="-2.21426665" z3="10.92548609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.364862" y3="-1.2756994" z3="10.34381921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.11069501" y3="-1.99403763" z3="11.96655748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46715624" y3="-2.54975575" z3="10.94487577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5107598" y3="-3.28036195" z3="10.31024982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.55868471" y3="-4.21804423" z3="10.90039472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.45915019" y3="-2.94739296" z3="10.32845948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86492055" y3="-3.62221361" z3="8.8621843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88454628" y3="-4.05087999" z3="8.82276586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14817717" y3="-4.3721866" z3="8.4824835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67252868" y3="-2.04782604" z3="7.53959211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57177702" y3="-0.35909259" z3="6.05989419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31546185" y3="-0.44542825" z3="6.71482794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68588227" y3="0.7212425" z3="5.82465962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23440571" y3="-1.10455367" z3="4.75340169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.06280177" y3="-2.16818715" z3="5.00515814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72099065" y3="-0.7130112" z3="4.34793783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32545611" y3="-1.00573207" z3="3.68926205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45454145" y3="0.0554588" z3="3.39198588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28088638" y3="-1.31598384" z3="4.14885181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08391146" y3="-1.85230444" z3="2.43552055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.96993433" y3="-1.78089598" z3="1.77586408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00664618" y3="-2.91599682" z3="2.73105474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.15919791" y3="-1.46326623" z3="1.63494166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.12738263" y3="-0.3947336" z3="1.35118612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08265727" y3="-1.62306275" z3="2.21781967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.24352601" y3="-2.05643246" z3="0.70603348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.64153861" y3="-2.65779542" z3="7.84884874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77680152" y3="-0.85010674" z3="6.81247509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7767965" y3="-0.55292201" z3="6.48436965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89665119" y3="-2.50844603" z3="8.01213252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43630088" y3="0.30186848" z3="11.65833771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.46336364" y3="0.75733848" z3="12.66545834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41111515" y3="0.49326902" z3="11.17383313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.34279422" y3="-0.79203523" z3="11.78168383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.71693971" y3="0.84687952" z3="10.81884788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.67894969" y3="0.63757127" z3="11.31770757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.63803579" y3="1.94948686" z3="10.7495554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.7630046" y3="0.23805772" z3="9.4144511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.74350047" y3="-0.86805583" z3="9.48948741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.14442662" y3="0.5185148" z3="8.84277573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.00346944" y3="0.68653721" z3="8.6482033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.12555602" y3="0.60691962" z3="9.1349566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.8043609" y3="1.41695016" z3="7.82398108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4123,-2.2143,10.9255;-3.3649,-1.2757,10.3438;-3.1107,-1.994,11.9666;-4.4672,-2.5498,10.9449;-2.5108,-3.2804,10.3102;-2.5587,-4.218,10.9004;-1.4592,-2.9474,10.3285;-2.8649,-3.6222,8.8622;-3.8845,-4.0509,8.8228;-2.1482,-4.3722,8.4825;-1.6725,-2.0478,7.5396;-.5718,-.3591,6.0599;.3155,-.4454,6.7148;-.6859,.7212,5.8247;-.2344,-1.1046,4.7534;-.0628,-2.1682,5.0052;.721,-.713,4.3479;-1.3255,-1.0057,3.6893;-1.4545,.0555,3.392;-2.2809,-1.316,4.1489;-1.0839,-1.8523,2.4355;-1.9699,-1.7809,1.7759;-1.0066,-2.916,2.7311;.1592,-1.4633,1.6349;.1274,-.3947,1.3512;1.0827,-1.6231,2.2178;.2435,-2.0564,.706;-.6415,-2.6578,7.8488;-1.7768,-.8501,6.8125;-2.7768,-.5529,6.4844;-2.8967,-2.5084,8.0121;.4363,.3019,11.6583;.4634,.7573,12.6655;1.4111,.4933,11.1738;.3428,-.792,11.7817;-.7169,.8469,10.8188;-1.6789,.6376,11.3177;-.638,1.9495,10.7496;-.763,.2381,9.4145;-.7435,-.8681,9.4895;.1444,.5185,8.8428;-2.0035,.6865,8.6482;-3.1256,.6069,9.135;-1.8044,1.417,7.824;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604164115822</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004458752410 0.000818462813 0.046208699780 0.008704971309</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005530205 -0.000999115 0.000074708 0.000150913 0.000273529 0.000544969 0.001115896 0.001535992 0.001773475 0.002116404 0.002190109 0.002695202 0.002936172 0.003560193 0.004224525 0.005491348 0.005859647 0.006144080 0.007015083 0.008401143 0.009952264 0.012018162 0.014502989 0.018958066 0.021312799 0.021602001 0.024561930 0.028076742 0.029579122 0.030248082 0.031663596 0.032370483 0.033412849 0.034954555 0.040149478 0.041367481 0.044374206 0.046472836 0.046933469 0.050881512 0.051865413 0.052606960 0.054055576 0.057958647 0.059207663 0.063965615 0.065859249 0.067459516 0.070564641 0.074740737 0.076752603 0.077260965 0.077752069 0.079129031 0.081633981 0.081804287 0.088974695 0.099631745 0.099992759 0.106208964 0.107170547 0.109847745 0.112155814 0.112819002 0.115917386 0.130472953 0.134930950 0.135128766 0.138944507 0.144557706 0.146456059 0.153575933 0.160890073 0.168781493 0.170045390 0.173219389 0.179846313 0.186579334 0.195095233 0.203656803 0.208876849 0.215688654 0.227308606 0.252370516 0.254271584 0.290595671 0.308782013 0.343015947 0.369024783 0.413963717 0.429573807 0.475819081 0.528449385 0.539218795 0.588605276 0.607261577 0.613476813 0.662535758 0.734460886 0.738861750 0.751715243 0.757569092 0.772801380 0.778250383 0.782050479 0.782173626 0.787487503 0.796748912 0.802685847 0.815497893 0.818683248 0.819703039 0.846952241 0.852312220 0.858596605 0.867164196 0.884273476 0.890577446 0.897103297 0.910099785 0.918277365 0.923985408 0.933233764 0.977556659 1.453046792 1.548038774</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">28</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.40946746" y3="-2.20722672" z3="10.92782657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36280299" y3="-1.26928965" z3="10.34496094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.10648949" y3="-1.98601157" z3="11.96832274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46423429" y3="-2.54320501" z3="10.94892455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50797083" y3="-3.27292939" z3="10.31216431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.55408814" y3="-4.21034294" z3="10.9030131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.45672231" y3="-2.93844208" z3="10.32805843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86428175" y3="-3.6165983" z3="8.86499811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88448443" y3="-4.04396665" z3="8.827191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14913187" y3="-4.36815263" z3="8.48550151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67204701" y3="-2.04257363" z3="7.54366533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5703474" y3="-0.35881671" z3="6.05847943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31635192" y3="-0.44614477" z3="6.71388113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68232529" y3="0.72136181" z3="5.82184277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23498038" y3="-1.10685805" z3="4.75317804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.06375029" y3="-2.17032663" z3="5.00606554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.7203379" y3="-0.71668504" z3="4.34645866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32655335" y3="-1.00889172" z3="3.68945322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45642094" y3="0.05219983" z3="3.39214884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28178524" y3="-1.31973992" z3="4.14913429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.0848214" y3="-1.85547305" z3="2.43565861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.97158436" y3="-1.78549557" z3="1.77681962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00576417" y3="-2.91902874" z3="2.73129926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.15700588" y3="-1.46476399" z3="1.63378463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.12341577" y3="-0.3962776" z3="1.3500199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08135521" y3="-1.62325021" z3="2.21561266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.24112291" y3="-2.05790604" z3="0.70479596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63962163" y3="-2.64801166" z3="7.86071828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7762794" y3="-0.84545519" z3="6.81256379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7757242" y3="-0.55264996" z3="6.4791703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89564218" y3="-2.50417949" z3="8.01228629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43022032" y3="0.28926646" z3="11.65887986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.44340869" y3="0.73107814" z3="12.67082418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40653918" y3="0.50230516" z3="11.18566805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.350376" y3="-0.8054522" z3="11.76744902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.72465656" y3="0.83140054" z3="10.82088954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.68772979" y3="0.59136257" z3="11.30958987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.66612195" y3="1.93939773" z3="10.77745799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.75220025" y3="0.24815952" z3="9.4039815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.72139778" y3="-0.85214871" z3="9.46783836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.15229979" y3="0.54495338" z3="8.8439658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.99778077" y3="0.68727722" z3="8.6384068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.11727815" y3="0.60628111" z3="9.13331893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80630932" y3="1.42063769" z3="7.81610509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4095,-2.2072,10.9278;-3.3628,-1.2693,10.345;-3.1065,-1.986,11.9683;-4.4642,-2.5432,10.9489;-2.508,-3.2729,10.3122;-2.5541,-4.2103,10.903;-1.4567,-2.9384,10.3281;-2.8643,-3.6166,8.865;-3.8845,-4.044,8.8272;-2.1491,-4.3682,8.4855;-1.672,-2.0426,7.5437;-.5703,-.3588,6.0585;.3164,-.4461,6.7139;-.6823,.7214,5.8218;-.235,-1.1069,4.7532;-.0638,-2.1703,5.0061;.7203,-.7167,4.3465;-1.3266,-1.0089,3.6895;-1.4564,.0522,3.3921;-2.2818,-1.3197,4.1491;-1.0848,-1.8555,2.4357;-1.9716,-1.7855,1.7768;-1.0058,-2.919,2.7313;.157,-1.4648,1.6338;.1234,-.3963,1.35;1.0814,-1.6233,2.2156;.2411,-2.0579,.7048;-.6396,-2.648,7.8607;-1.7763,-.8455,6.8126;-2.7757,-.5526,6.4792;-2.8956,-2.5042,8.0123;.4302,.2893,11.6589;.4434,.7311,12.6708;1.4065,.5023,11.1857;.3504,-.8055,11.7674;-.7247,.8314,10.8209;-1.6877,.5914,11.3096;-.6661,1.9394,10.7775;-.7522,.2482,9.404;-.7214,-.8521,9.4678;.1523,.545,8.844;-1.9978,.6873,8.6384;-3.1173,.6063,9.1333;-1.8063,1.4206,7.8161;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604186943523</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004554276799 0.000725109510 0.034537954472 0.008703615202</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005853784 -0.001823519 0.000075461 0.000150918 0.000273788 0.000547870 0.001115851 0.001618364 0.001774179 0.002115115 0.002191066 0.002777563 0.002950225 0.003573343 0.004223190 0.005491570 0.005877592 0.006409356 0.006983551 0.008445673 0.009983491 0.012019343 0.014521939 0.018960299 0.021330446 0.021609941 0.024593112 0.029018656 0.029811022 0.030635740 0.031675697 0.032529781 0.033516652 0.035061775 0.040150003 0.041751839 0.044387715 0.046472807 0.046933563 0.051065497 0.051870639 0.052607054 0.054055336 0.057958532 0.059207922 0.063955221 0.065853214 0.067461179 0.070564185 0.074742186 0.076752604 0.077258966 0.077752605 0.079128898 0.081654230 0.081816668 0.088976208 0.099631817 0.099992901 0.106230457 0.107175994 0.109847848 0.112258989 0.112820821 0.115918179 0.130478233 0.134990450 0.135131488 0.138964412 0.144733907 0.146467578 0.153714177 0.160899481 0.168822654 0.170197440 0.173243297 0.179844496 0.186572867 0.195086576 0.203631449 0.208909887 0.215710873 0.227294061 0.252298364 0.254265332 0.290595073 0.308781815 0.343017134 0.369010580 0.413964299 0.429574472 0.475819451 0.529432150 0.539277982 0.588605400 0.607268804 0.615345581 0.662535712 0.734463144 0.738861893 0.751715244 0.757569408 0.772801615 0.778256222 0.782072784 0.782816451 0.787625831 0.796749405 0.802688006 0.815575853 0.818687881 0.819711908 0.846952849 0.852315856 0.858791449 0.867164574 0.884261556 0.890585750 0.897104069 0.910112964 0.918277939 0.924053492 0.933233862 0.977691231 1.453060665 1.548151195</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">29</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.40702824" y3="-2.2002498" z3="10.92907007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36297747" y3="-1.26311498" z3="10.34426298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.10177761" y3="-1.97707566" z3="11.96858783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46113514" y3="-2.53845341" z3="10.95323348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50478077" y3="-3.26511621" z3="10.31302193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.54811892" y3="-4.20221165" z3="10.90466823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.45407634" y3="-2.92871895" z3="10.32694294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86285456" y3="-3.61075787" z3="8.86682865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88379453" y3="-4.0363518" z3="8.83023882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14934369" y3="-4.36398318" z3="8.48751784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6702134" y3="-2.0378405" z3="7.54523795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56727292" y3="-0.35499868" z3="6.06071348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32057118" y3="-0.44178693" z3="6.71457701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.67791606" y3="0.72466018" z3="5.82124729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2364646" y3="-1.10810863" z3="4.75710032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0674825" y3="-2.17126479" z3="5.01286143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71927016" y3="-0.72157041" z3="4.34800069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32859028" y3="-1.0108928" z3="3.69371295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.4590015" y3="0.05001959" z3="3.39606026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28390108" y3="-1.32196291" z3="4.15307766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08664172" y3="-1.85762093" z3="2.43987913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.97432938" y3="-1.78946751" z3="1.78212813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.0053441" y3="-2.92098852" z3="2.73562551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.15327398" y3="-1.46520957" z3="1.63577882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.11755272" y3="-0.39694535" z3="1.35143306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07904269" y3="-1.62204078" z3="2.21578183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.2365524" y3="-2.05864966" z3="0.7069062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63833206" y3="-2.64434183" z3="7.85909137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77256052" y3="-0.83669324" z3="6.81950705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77168364" y3="-0.54740628" z3="6.48135916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89341683" y3="-2.49936152" z3="8.012393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.42056416" y3="0.28073305" z3="11.6591515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41159365" y3="0.69654019" z3="12.68956746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.3998324" y3="0.52531443" z3="11.19945588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.36044702" y3="-0.82621253" z3="11.73528691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73312082" y3="0.8207129" z3="10.81719185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69508337" y3="0.58019831" z3="11.29359983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.6777278" y3="1.92101342" z3="10.77358334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.7476906" y3="0.24757376" z3="9.40009519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.69317915" y3="-0.8571014" z3="9.44904021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.15620658" y3="0.56872451" z3="8.84749912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.99329168" y3="0.67731282" z3="8.62809565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.11424312" y3="0.59352025" z3="9.11969744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79989432" y3="1.41956221" z3="7.81326341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.407,-2.2002,10.9291;-3.363,-1.2631,10.3443;-3.1018,-1.9771,11.9686;-4.4611,-2.5385,10.9532;-2.5048,-3.2651,10.313;-2.5481,-4.2022,10.9047;-1.4541,-2.9287,10.3269;-2.8629,-3.6108,8.8668;-3.8838,-4.0364,8.8302;-2.1493,-4.364,8.4875;-1.6702,-2.0378,7.5452;-.5673,-.355,6.0607;.3206,-.4418,6.7146;-.6779,.7247,5.8212;-.2365,-1.1081,4.7571;-.0675,-2.1713,5.0129;.7193,-.7216,4.348;-1.3286,-1.0109,3.6937;-1.459,.05,3.3961;-2.2839,-1.322,4.1531;-1.0866,-1.8576,2.4399;-1.9743,-1.7895,1.7821;-1.0053,-2.921,2.7356;.1533,-1.4652,1.6358;.1176,-.3969,1.3514;1.079,-1.622,2.2158;.2366,-2.0586,.7069;-.6383,-2.6443,7.8591;-1.7726,-.8367,6.8195;-2.7717,-.5474,6.4814;-2.8934,-2.4994,8.0124;.4206,.2807,11.6592;.4116,.6965,12.6896;1.3998,.5253,11.1995;.3604,-.8262,11.7353;-.7331,.8207,10.8172;-1.6951,.5802,11.2936;-.6777,1.921,10.7736;-.7477,.2476,9.4001;-.6932,-.8571,9.449;.1562,.5687,8.8475;-1.9933,.6773,8.6281;-3.1142,.5935,9.1197;-1.7999,1.4196,7.8133;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604154424966</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010735356438 0.001470549349 0.036398631840 0.008702738749</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.007150462 -0.004667112 0.000077962 0.000151054 0.000273760 0.000564643 0.001120921 0.001619131 0.001793264 0.002119717 0.002198113 0.002784120 0.002948836 0.003595567 0.004226100 0.005492945 0.006019834 0.006879073 0.008420732 0.009403037 0.010279114 0.012086224 0.014727474 0.018981486 0.021393410 0.021700947 0.024609105 0.029259701 0.029967232 0.031585252 0.031839954 0.032797422 0.033807622 0.035325067 0.040153063 0.042830529 0.044417742 0.046472862 0.046933629 0.051653541 0.051906959 0.052607134 0.054055222 0.057958522 0.059208482 0.063953538 0.065859553 0.067462780 0.070572100 0.074762386 0.076752407 0.077293990 0.077779980 0.079128047 0.081656417 0.081821330 0.088986586 0.099632004 0.099993248 0.106238718 0.107182756 0.109850707 0.112564824 0.112828008 0.115918135 0.130480259 0.135083001 0.135163509 0.139005568 0.145280123 0.146489630 0.154477836 0.161344614 0.168855667 0.170252715 0.173309176 0.179883002 0.186697098 0.195143299 0.203702148 0.208900845 0.215798240 0.227365577 0.252279681 0.254265238 0.290599295 0.308821265 0.343020093 0.369752717 0.413980625 0.429575449 0.475824628 0.534135951 0.539938668 0.588605447 0.607284181 0.622104309 0.662537749 0.734469994 0.739143509 0.751715502 0.757569940 0.772801633 0.778256495 0.782073179 0.782892049 0.787939866 0.796749308 0.802689417 0.815872143 0.818701470 0.819720357 0.846953329 0.852320534 0.859288474 0.867165882 0.884254245 0.890589042 0.897104901 0.910116381 0.918278795 0.924085317 0.933234035 0.977709374 1.453289192 1.548176411</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">30</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.40729549" y3="-2.19448997" z3="10.93473052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36457407" y3="-1.25781305" z3="10.34922027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.10243349" y3="-1.96977655" z3="11.97403545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46084407" y3="-2.53438251" z3="10.95917936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50327165" y3="-3.25826857" z3="10.31952149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.54427299" y3="-4.19450341" z3="10.91269761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.45340894" y3="-2.91946827" z3="10.33203029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8618203" y3="-3.60700672" z3="8.87411632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88181224" y3="-4.03517731" z3="8.83936415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14692307" y3="-4.35946109" z3="8.49590726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6730638" y3="-2.03591949" z3="7.54618793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57126108" y3="-0.35766177" z3="6.05590188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31480397" y3="-0.44329904" z3="6.71228946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68329575" y3="0.72193601" z3="5.81671585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23541666" y3="-1.1086837" z3="4.7523509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.06442612" y3="-2.17159963" z3="5.0076529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72009774" y3="-0.71948607" z3="4.34517094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3263625" y3="-1.01331207" z3="3.68764626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.4580486" y3="0.04738878" z3="3.38970474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28143362" y3="-1.32573461" z3="4.14655832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08232722" y3="-1.85996371" z3="2.43428984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.96942473" y3="-1.79284877" z3="1.77567731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00023672" y3="-2.92318312" z3="2.73035135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.15797075" y3="-1.46634503" z3="1.63149753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.12130876" y3="-0.39816947" z3="1.34691444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08317292" y3="-1.62192649" z3="2.21269599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.24305071" y3="-2.05990772" z3="0.70288212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63982127" y3="-2.6369805" z3="7.86613665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77742053" y3="-0.8430344" z3="6.81054296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7767934" y3="-0.55328144" z3="6.47408395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89565542" y3="-2.49750583" z3="8.01756829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.42214284" y3="0.26318666" z3="11.65687548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.42252231" y3="0.67872861" z3="12.67642416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.3952137" y3="0.50290027" z3="11.19738587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.36088961" y3="-0.83141215" z3="11.73846357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73692311" y3="0.80748141" z3="10.82549595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6981619" y3="0.54379968" z3="11.30191427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.69513317" y3="1.916812" z3="10.80881799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.74592606" y3="0.26093034" z3="9.39439385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.67793361" y3="-0.84630352" z3="9.42216979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.15304569" y3="0.6040638" z3="8.84314879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.998111" y3="0.69083607" z3="8.63336198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.11584095" y3="0.6057685" z3="9.13156347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81290725" y3="1.42246117" z3="7.80873536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4073,-2.1945,10.9347;-3.3646,-1.2578,10.3492;-3.1024,-1.9698,11.974;-4.4608,-2.5344,10.9592;-2.5033,-3.2583,10.3195;-2.5443,-4.1945,10.9127;-1.4534,-2.9195,10.332;-2.8618,-3.607,8.8741;-3.8818,-4.0352,8.8394;-2.1469,-4.3595,8.4959;-1.6731,-2.0359,7.5462;-.5713,-.3577,6.0559;.3148,-.4433,6.7123;-.6833,.7219,5.8167;-.2354,-1.1087,4.7524;-.0644,-2.1716,5.0077;.7201,-.7195,4.3452;-1.3264,-1.0133,3.6876;-1.458,.0474,3.3897;-2.2814,-1.3257,4.1466;-1.0823,-1.86,2.4343;-1.9694,-1.7928,1.7757;-1.0002,-2.9232,2.7304;.158,-1.4663,1.6315;.1213,-.3982,1.3469;1.0832,-1.6219,2.2127;.2431,-2.0599,.7029;-.6398,-2.637,7.8661;-1.7774,-.843,6.8105;-2.7768,-.5533,6.4741;-2.8957,-2.4975,8.0176;.4221,.2632,11.6569;.4225,.6787,12.6764;1.3952,.5029,11.1974;.3609,-.8314,11.7385;-.7369,.8075,10.8255;-1.6982,.5438,11.3019;-.6951,1.9168,10.8088;-.7459,.2609,9.3944;-.6779,-.8463,9.4222;.153,.6041,8.8431;-1.9981,.6908,8.6334;-3.1158,.6058,9.1316;-1.8129,1.4225,7.8087;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604145885581</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006803670785 0.001358772838 0.039794162111 0.008704066883</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.009716738 -0.001895417 0.000077928 0.000151062 0.000275158 0.000563572 0.001122658 0.001630271 0.001792075 0.002117806 0.002199217 0.002786306 0.002963990 0.003604231 0.004226422 0.005493191 0.006087775 0.006894876 0.008400249 0.009793741 0.011647616 0.012945817 0.015761544 0.019125993 0.021422090 0.022043908 0.024619110 0.029251881 0.029962639 0.031563600 0.031764695 0.032726742 0.033721203 0.035247923 0.040154455 0.042587590 0.044429781 0.046473250 0.046939835 0.051823573 0.051958250 0.052607206 0.054055319 0.057961789 0.059208947 0.063968459 0.065968038 0.067462098 0.070615530 0.074790459 0.076753232 0.077371634 0.078020022 0.079147982 0.081733189 0.081862547 0.089044831 0.099632779 0.099994804 0.106240500 0.107266467 0.109850394 0.112786675 0.112950571 0.115919578 0.130480591 0.135080150 0.135153986 0.139003309 0.145398581 0.146486130 0.155024826 0.162133476 0.168856632 0.170255591 0.173357891 0.179945648 0.187033159 0.195346422 0.204091812 0.208896200 0.216398138 0.227870865 0.252249885 0.254261676 0.290622141 0.308933623 0.343022996 0.372826692 0.414027728 0.429584724 0.475839539 0.537191265 0.542783569 0.588605489 0.607293267 0.622119781 0.662557267 0.734478093 0.740467648 0.751716092 0.757571114 0.772801843 0.778281863 0.782073158 0.785344665 0.789254244 0.796749371 0.802691052 0.815904446 0.818704145 0.819720150 0.846954172 0.852322641 0.859423009 0.867167215 0.884605502 0.890597865 0.897109865 0.910126314 0.918278701 0.924083748 0.933234842 0.977753781 1.453666104 1.548224189</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">31</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.40861969" y3="-2.187876" z3="10.93711227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36806369" y3="-1.25179227" z3="10.35081758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.1045589" y3="-1.96143056" z3="11.97616814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46110712" y3="-2.53077492" z3="10.96181081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50108984" y3="-3.24906482" z3="10.32262208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53750255" y3="-4.18446701" z3="10.91752753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4526067" y3="-2.90555406" z3="10.33300574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86005248" y3="-3.60210399" z3="8.87831436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.87963997" y3="-4.03145778" z3="8.84525521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14444383" y3="-4.35475295" z3="8.5018978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67319185" y3="-2.03474311" z3="7.54481991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57087336" y3="-0.35656707" z3="6.05489179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31459356" y3="-0.44006566" z3="6.71260016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68387005" y3="0.72269433" z3="5.81436496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23411317" y3="-1.10918833" z3="4.75278724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.06358077" y3="-2.17172296" z3="5.009968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72148343" y3="-0.72073746" z3="4.3450956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32566402" y3="-1.01483433" z3="3.6887439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45753617" y3="0.04558832" z3="3.38995007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28028832" y3="-1.32670863" z3="4.14879812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08248745" y3="-1.86263499" z3="2.43627515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.97051596" y3="-1.79734484" z3="1.77874827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99871271" y3="-2.92531962" z3="2.73371867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.15631155" y3="-1.46827664" z3="1.63166204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.11761061" y3="-0.40052453" z3="1.34576905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0823415" y3="-1.62157667" z3="2.21222427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.24134039" y3="-2.06292191" z3="0.70375213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63921797" y3="-2.63562283" z3="7.86504514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7774562" y3="-0.84283079" z3="6.80784933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77698369" y3="-0.55098751" z3="6.47346573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89527112" y3="-2.49513111" z3="8.01853809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4189923" y3="0.2522851" z3="11.65393757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40209947" y3="0.63893445" z3="12.69367783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39504478" y3="0.52360945" z3="11.20537256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.37537175" y3="-0.855063" z3="11.70042272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74133138" y3="0.79810289" z3="10.82525981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.70274221" y3="0.50814313" z3="11.29167965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.71636321" y3="1.90884762" z3="10.82869161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.73734036" y3="0.27090573" z3="9.38690513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.66499497" y3="-0.82596314" z3="9.41166865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.15699717" y3="0.61973823" z3="8.84595092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.99400647" y3="0.69297656" z3="8.62783127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.10946742" y3="0.60337005" z3="9.13030034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81685469" y3="1.42223093" z3="7.79707564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4086,-2.1879,10.9371;-3.3681,-1.2518,10.3508;-3.1046,-1.9614,11.9762;-4.4611,-2.5308,10.9618;-2.5011,-3.2491,10.3226;-2.5375,-4.1845,10.9175;-1.4526,-2.9056,10.333;-2.8601,-3.6021,8.8783;-3.8796,-4.0315,8.8453;-2.1444,-4.3548,8.5019;-1.6732,-2.0347,7.5448;-.5709,-.3566,6.0549;.3146,-.4401,6.7126;-.6839,.7227,5.8144;-.2341,-1.1092,4.7528;-.0636,-2.1717,5.01;.7215,-.7207,4.3451;-1.3257,-1.0148,3.6887;-1.4575,.0456,3.39;-2.2803,-1.3267,4.1488;-1.0825,-1.8626,2.4363;-1.9705,-1.7973,1.7787;-.9987,-2.9253,2.7337;.1563,-1.4683,1.6317;.1176,-.4005,1.3458;1.0823,-1.6216,2.2122;.2413,-2.0629,.7038;-.6392,-2.6356,7.865;-1.7775,-.8428,6.8078;-2.777,-.551,6.4735;-2.8953,-2.4951,8.0185;.419,.2523,11.6539;.4021,.6389,12.6937;1.395,.5236,11.2054;.3754,-.8551,11.7004;-.7413,.7981,10.8253;-1.7027,.5081,11.2917;-.7164,1.9088,10.8287;-.7373,.2709,9.3869;-.665,-.826,9.4117;.157,.6197,8.846;-1.994,.693,8.6278;-3.1095,.6034,9.1303;-1.8169,1.4222,7.7971;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604162887162</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010078301500 0.001380576155 0.038447805692 0.008703650187</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.009742402 -0.004979487 0.000082097 0.000151298 0.000290572 0.000570964 0.001122877 0.001633407 0.001795300 0.002121433 0.002200981 0.002807383 0.002964817 0.003604098 0.004225497 0.005493477 0.006085280 0.006900811 0.008470283 0.009813480 0.011677320 0.013211340 0.016316162 0.019230097 0.021418904 0.022222397 0.024749069 0.029388633 0.030160242 0.031636885 0.032026701 0.033157925 0.034420750 0.036132561 0.040155966 0.044074108 0.045196256 0.046473741 0.046946115 0.051810795 0.051959113 0.052607167 0.054056046 0.057962230 0.059209072 0.063972780 0.065955836 0.067464552 0.070605519 0.074788742 0.076754442 0.077367601 0.078099592 0.079183577 0.081771479 0.082261405 0.089079138 0.099632588 0.099995603 0.106241541 0.107314511 0.109854461 0.112798926 0.113219578 0.115921484 0.130480589 0.135113646 0.135384466 0.139015438 0.145397154 0.146484196 0.154987708 0.162122697 0.168861675 0.170294791 0.173352983 0.179962230 0.187070129 0.195381636 0.204049767 0.208944028 0.216945099 0.228476189 0.252578645 0.254331646 0.290649263 0.308992305 0.343024734 0.375448799 0.414065392 0.429588142 0.475839070 0.537499713 0.543525338 0.588606309 0.607293229 0.625227232 0.662558666 0.734477933 0.740887694 0.751718205 0.757577688 0.772802013 0.778287060 0.782073448 0.787476216 0.794338819 0.796753433 0.802701162 0.815899756 0.818704325 0.819719864 0.846954137 0.852325166 0.859430407 0.867167228 0.884618877 0.890599373 0.897110134 0.910126303 0.918279379 0.924082477 0.933236546 0.977764399 1.453673944 1.548226431</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">32</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.40900238" y3="-2.17941317" z3="10.93754953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37274859" y3="-1.24460807" z3="10.3487075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.10460741" y3="-1.94919807" z3="11.97582287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46000601" y3="-2.52711102" z3="10.96424793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.4973038" y3="-3.23773918" z3="10.32436712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52767005" y3="-4.17172175" z3="10.92187766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.45046792" y3="-2.88899256" z3="10.33179944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.85695889" y3="-3.59643506" z3="8.88165062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.87626768" y3="-4.02659108" z3="8.85080946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14104707" y3="-4.34990208" z3="8.50746184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67164219" y3="-2.03128697" z3="7.5456932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56913917" y3="-0.35411873" z3="6.05460987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31567829" y3="-0.43621466" z3="6.71321546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68255081" y3="0.7245472" z3="5.81191539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23267537" y3="-1.10918186" z3="4.75408708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.06189951" y3="-2.17128085" z3="5.01306719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.7225509" y3="-0.7215105" z3="4.34474683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32580989" y3="-1.01663576" z3="3.69158352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45855993" y3="0.04345068" z3="3.39186697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27950233" y3="-1.32826136" z3="4.15371316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08414351" y3="-1.865787" z3="2.43993513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.97369792" y3="-1.80295141" z3="1.78423771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99788589" y3="-2.92789015" z3="2.73881512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1523924" y3="-1.46985411" z3="1.63267432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.11062255" y3="-0.40251727" z3="1.34556434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07963015" y3="-1.6200645" z3="2.21213713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.23746381" y3="-2.06555389" z3="0.70544923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63692416" y3="-2.63077469" z3="7.86863371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77629096" y3="-0.83912381" z3="6.80753695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77545911" y3="-0.54765841" z3="6.47253677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8933908" y3="-2.49247587" z3="8.01773878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41231982" y3="0.23579137" z3="11.65381486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.38201953" y3="0.6087548" z3="12.69243311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38658639" y3="0.52925492" z3="11.21782182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.38446501" y3="-0.8663412" z3="11.68736254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75185995" y3="0.77779202" z3="10.82788411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.7089399" y3="0.48502276" z3="11.28457795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73292522" y3="1.88239883" z3="10.83758524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.73606834" y3="0.27274434" z3="9.38306551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.63454314" y3="-0.83484538" z3="9.37778011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.15910843" y3="0.65818603" z3="8.85006983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.99182135" y3="0.69194487" z3="8.62069076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.10816777" y3="0.60261029" z3="9.11996531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81122207" y3="1.42292964" z3="7.79526985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.409,-2.1794,10.9375;-3.3727,-1.2446,10.3487;-3.1046,-1.9492,11.9758;-4.46,-2.5271,10.9642;-2.4973,-3.2377,10.3244;-2.5277,-4.1717,10.9219;-1.4505,-2.889,10.3318;-2.857,-3.5964,8.8817;-3.8763,-4.0266,8.8508;-2.141,-4.3499,8.5075;-1.6716,-2.0313,7.5457;-.5691,-.3541,6.0546;.3157,-.4362,6.7132;-.6826,.7245,5.8119;-.2327,-1.1092,4.7541;-.0619,-2.1713,5.0131;.7226,-.7215,4.3447;-1.3258,-1.0166,3.6916;-1.4586,.0435,3.3919;-2.2795,-1.3283,4.1537;-1.0841,-1.8658,2.4399;-1.9737,-1.803,1.7842;-.9979,-2.9279,2.7388;.1524,-1.4699,1.6327;.1106,-.4025,1.3456;1.0796,-1.6201,2.2121;.2375,-2.0656,.7054;-.6369,-2.6308,7.8686;-1.7763,-.8391,6.8075;-2.7755,-.5477,6.4725;-2.8934,-2.4925,8.0177;.4123,.2358,11.6538;.382,.6088,12.6924;1.3866,.5293,11.2178;.3845,-.8663,11.6874;-.7519,.7778,10.8279;-1.7089,.485,11.2846;-.7329,1.8824,10.8376;-.7361,.2727,9.3831;-.6345,-.8348,9.3778;.1591,.6582,8.8501;-1.9918,.6919,8.6207;-3.1082,.6026,9.12;-1.8112,1.4229,7.7953;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604166811116</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010602038656 0.001487244359 0.038669416065 0.008702359176</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.010887949 -0.003703842 0.000093559 0.000151870 0.000308631 0.000586961 0.001124898 0.001639336 0.001796336 0.002121333 0.002202614 0.002804521 0.002968927 0.003605029 0.004226280 0.005497280 0.006087819 0.006903950 0.008507667 0.009890591 0.011677295 0.013205840 0.016305130 0.019225655 0.021417348 0.022231892 0.024818452 0.029408791 0.030193411 0.031657109 0.032173457 0.033239162 0.034681831 0.037283857 0.040159806 0.044317085 0.046471746 0.046932497 0.049818138 0.051828967 0.052293320 0.052608741 0.054062542 0.057962151 0.059209095 0.063999218 0.065968523 0.067466679 0.070603782 0.074788124 0.076754496 0.077367446 0.078147417 0.079212714 0.081774597 0.082734935 0.089131986 0.099632517 0.099997949 0.106246864 0.107310054 0.109858021 0.112803086 0.113815934 0.115925057 0.130481145 0.135117027 0.135935812 0.139054272 0.145475800 0.146484582 0.155043282 0.162127199 0.168874481 0.170366933 0.173361585 0.179962562 0.187068979 0.195384926 0.204063817 0.208938197 0.217021078 0.228789852 0.252487836 0.254362122 0.290664770 0.309028212 0.343027026 0.376978664 0.414080495 0.429588367 0.475841577 0.537578749 0.543641235 0.588608658 0.607298296 0.634623525 0.662558951 0.734477972 0.740940845 0.751718825 0.757578040 0.772802803 0.778288484 0.782073430 0.787510378 0.796750730 0.802352018 0.803445215 0.815945332 0.818705653 0.819721042 0.846956085 0.852330712 0.859461634 0.867174433 0.884849895 0.890599315 0.897113436 0.910129531 0.918279381 0.924082484 0.933238495 0.977911071 1.453761592 1.548233565</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">33</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.41095212" y3="-2.17224482" z3="10.93872684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37992888" y3="-1.23942697" z3="10.34662863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.10702266" y3="-1.93609309" z3="11.97594539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46011693" y3="-2.52565911" z3="10.96744082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49376917" y3="-3.22755017" z3="10.32857526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51856048" y3="-4.1594622" z3="10.92947126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.44898826" y3="-2.87270754" z3="10.3334955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.85269467" y3="-3.59256719" z3="8.88723942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8705592" y3="-4.02644686" z3="8.85833864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13425901" y3="-4.34494867" z3="8.51570203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67150137" y3="-2.03003766" z3="7.54381736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57039747" y3="-0.35571181" z3="6.04997186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31317197" y3="-0.43638707" z3="6.71052622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68570927" y3="0.7230271" z3="5.80800046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22969653" y3="-1.10833899" z3="4.74933731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05500776" y3="-2.16978556" z3="5.00833479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72384204" y3="-0.71661387" z3="4.33998756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32431704" y3="-1.01978794" z3="3.6880481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45992631" y3="0.03966652" z3="3.3871022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27645193" y3="-1.33294452" z3="4.15253485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08278842" y3="-1.87032926" z3="2.43743462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.97336153" y3="-1.81017178" z3="1.78282028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99416087" y3="-2.93182606" z3="2.73786395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.15200721" y3="-1.47300184" z3="1.6283551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10752373" y3="-0.40614533" z3="1.33981626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07996684" y3="-1.62023227" z3="2.20735462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.23760723" y3="-2.06985261" z3="0.70197562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63549498" y3="-2.6256118" z3="7.8710811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77787438" y3="-0.84684223" z3="6.79728685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77760982" y3="-0.55114991" z3="6.46771013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8930807" y3="-2.49183182" z3="8.02025253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41035151" y3="0.22157595" z3="11.65472783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.37735159" y3="0.57335739" z3="12.70504016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38185131" y3="0.52314167" z3="11.2251497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.3895148" y3="-0.88564081" z3="11.66579754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75422082" y3="0.7676297" z3="10.8337203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.71208797" y3="0.44635335" z3="11.2837004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75136465" y3="1.87641417" z3="10.86938226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.73128507" y3="0.28687444" z3="9.38040444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.63046191" y3="-0.8112595" z3="9.36512879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.15649773" y3="0.67644855" z3="8.85427298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.99147843" y3="0.70929183" z3="8.62770139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.10558" y3="0.62039394" z3="9.12955329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81733912" y3="1.42582199" z3="7.78661821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.411,-2.1722,10.9387;-3.3799,-1.2394,10.3466;-3.107,-1.9361,11.9759;-4.4601,-2.5257,10.9674;-2.4938,-3.2276,10.3286;-2.5186,-4.1595,10.9295;-1.449,-2.8727,10.3335;-2.8527,-3.5926,8.8872;-3.8706,-4.0264,8.8583;-2.1343,-4.3449,8.5157;-1.6715,-2.03,7.5438;-.5704,-.3557,6.05;.3132,-.4364,6.7105;-.6857,.723,5.808;-.2297,-1.1083,4.7493;-.055,-2.1698,5.0083;.7238,-.7166,4.34;-1.3243,-1.0198,3.688;-1.4599,.0397,3.3871;-2.2765,-1.3329,4.1525;-1.0828,-1.8703,2.4374;-1.9734,-1.8102,1.7828;-.9942,-2.9318,2.7379;.152,-1.473,1.6284;.1075,-.4061,1.3398;1.08,-1.6202,2.2074;.2376,-2.0699,.702;-.6355,-2.6256,7.8711;-1.7779,-.8468,6.7973;-2.7776,-.5511,6.4677;-2.8931,-2.4918,8.0203;.4104,.2216,11.6547;.3774,.5734,12.705;1.3819,.5231,11.2251;.3895,-.8856,11.6658;-.7542,.7676,10.8337;-1.7121,.4464,11.2837;-.7514,1.8764,10.8694;-.7313,.2869,9.3804;-.6305,-.8113,9.3651;.1565,.6764,8.8543;-1.9915,.7093,8.6277;-3.1056,.6204,9.1296;-1.8173,1.4258,7.7866;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604234413361</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007361204130 0.000920126879 0.029586390452 0.008701469353</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013041243 -0.001294759 0.000091698 0.000151773 0.000301714 0.000582063 0.001124567 0.001704482 0.001809226 0.002123852 0.002222194 0.002825121 0.003010681 0.003618080 0.004226854 0.005496689 0.006084158 0.006904360 0.008506693 0.009924998 0.011681061 0.013211747 0.016304192 0.019230211 0.021427318 0.022232383 0.024837100 0.029409464 0.030193115 0.031663617 0.032258587 0.033255626 0.034718305 0.037475653 0.040160039 0.044338992 0.046471947 0.046935833 0.051442396 0.051826226 0.052600873 0.052879668 0.054088202 0.057962100 0.059209152 0.063997360 0.065959889 0.067467990 0.070605734 0.074787354 0.076754826 0.077367739 0.078160858 0.079228218 0.081776466 0.083059876 0.089156765 0.099632481 0.099999104 0.106265069 0.107321848 0.109859117 0.112808277 0.115209221 0.115940002 0.130481010 0.135116793 0.136043225 0.139068517 0.145510545 0.146484775 0.155128539 0.162159991 0.168877819 0.170396022 0.173372179 0.179962537 0.187071200 0.195385213 0.204045239 0.208948793 0.217050401 0.228892891 0.252469397 0.254361952 0.290686563 0.309051077 0.343030568 0.377645404 0.414092019 0.429592153 0.475841855 0.537591109 0.543656818 0.588610108 0.607303221 0.637299617 0.662559632 0.734478195 0.740941509 0.751718928 0.757578308 0.772802890 0.778288887 0.782073471 0.787600479 0.796753608 0.802632419 0.809351703 0.816226529 0.818721037 0.819732017 0.846957050 0.852340277 0.859775926 0.867174488 0.884881022 0.890599548 0.897113044 0.910135880 0.918280227 0.924285028 0.933239363 0.977998195 1.453760723 1.548234292</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">34</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.41463223" y3="-2.16588669" z3="10.93317044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38778022" y3="-1.23523816" z3="10.33783205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.11206109" y3="-1.92411447" z3="11.96926001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46175733" y3="-2.52458557" z3="10.96323157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49183267" y3="-3.21853742" z3="10.32697329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51256195" y3="-4.14882003" z3="10.9302718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4489165" y3="-2.85873897" z3="10.33194675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.84746947" y3="-3.58873917" z3="8.88634026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.86441655" y3="-4.02455357" z3="8.85682578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.12686475" y3="-4.3405567" z3="8.51797215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66654882" y3="-2.02796372" z3="7.541244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56498867" y3="-0.3531998" z3="6.04804612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31916768" y3="-0.43343257" z3="6.70797152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68032034" y3="0.72532582" z3="5.8052133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22688838" y3="-1.1076551" z3="4.7478254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05021422" y3="-2.16838916" z3="5.00838937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72483611" y3="-0.71559878" z3="4.33447913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32569581" y3="-1.02252444" z3="3.69061425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46390979" y3="0.03614475" z3="3.38813649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27542252" y3="-1.33587926" z3="4.15974392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08836723" y3="-1.87537662" z3="2.44097492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98186515" y3="-1.81803105" z3="1.79010234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99684356" y3="-2.93599991" z3="2.74355034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14233586" y3="-1.47783649" z3="1.62585124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09486258" y3="-0.4116862" z3="1.33526258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07290363" y3="-1.62224821" z3="2.20142601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22506587" y3="-2.07648836" z3="0.70039048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63040208" y3="-2.62391154" z3="7.86813713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7723275" y3="-0.8432391" z3="6.7963928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77202181" y3="-0.54614346" z3="6.46807328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88819941" y3="-2.4901058" z3="8.01662604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.40339543" y3="0.20955072" z3="11.66303013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.35135815" y3="0.55151742" z3="12.71196278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.37768855" y3="0.54223423" z3="11.24810612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.40099349" y3="-0.89441547" z3="11.66341867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.76339232" y3="0.75038309" z3="10.84073688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.71952097" y3="0.41676696" z3="11.28022222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.77301778" y3="1.85937674" z3="10.89071354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.72438673" y3="0.2903503" z3="9.38005066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60798054" y3="-0.80913047" z3="9.34607387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.16543195" y3="0.70328906" z3="8.86690744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.98265528" y3="0.7113825" z3="8.62283009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.09794578" y3="0.62486457" z3="9.12307168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80519361" y3="1.42722739" z3="7.782974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4146,-2.1659,10.9332;-3.3878,-1.2352,10.3378;-3.1121,-1.9241,11.9693;-4.4618,-2.5246,10.9632;-2.4918,-3.2185,10.327;-2.5126,-4.1488,10.9303;-1.4489,-2.8587,10.3319;-2.8475,-3.5887,8.8863;-3.8644,-4.0246,8.8568;-2.1269,-4.3406,8.518;-1.6665,-2.028,7.5412;-.565,-.3532,6.048;.3192,-.4334,6.708;-.6803,.7253,5.8052;-.2269,-1.1077,4.7478;-.0502,-2.1684,5.0084;.7248,-.7156,4.3345;-1.3257,-1.0225,3.6906;-1.4639,.0361,3.3881;-2.2754,-1.3359,4.1597;-1.0884,-1.8754,2.441;-1.9819,-1.818,1.7901;-.9968,-2.936,2.7436;.1423,-1.4778,1.6259;.0949,-.4117,1.3353;1.0729,-1.6222,2.2014;.2251,-2.0765,.7004;-.6304,-2.6239,7.8681;-1.7723,-.8432,6.7964;-2.772,-.5461,6.4681;-2.8882,-2.4901,8.0166;.4034,.2096,11.663;.3514,.5515,12.712;1.3777,.5422,11.2481;.401,-.8944,11.6634;-.7634,.7504,10.8407;-1.7195,.4168,11.2802;-.773,1.8594,10.8907;-.7244,.2904,9.3801;-.608,-.8091,9.3461;.1654,.7033,8.8669;-1.9827,.7114,8.6228;-3.0979,.6249,9.1231;-1.8052,1.4272,7.783;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604250429003</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005225847326 0.000808812762 0.027456154798 0.008705097302</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.012805229 -0.001792404 0.000115473 0.000154587 0.000399035 0.000634971 0.001135982 0.001757297 0.001913010 0.002121895 0.002244906 0.002826230 0.003042727 0.003637272 0.004226049 0.005498516 0.006088666 0.006960389 0.008531367 0.009951909 0.011733774 0.013278593 0.016304879 0.019229900 0.021443044 0.022288194 0.024848106 0.029410339 0.030195952 0.031664616 0.032303038 0.033266410 0.034727840 0.037497029 0.040160056 0.044336553 0.046471951 0.046935436 0.051614095 0.051892869 0.052598596 0.052771824 0.054086961 0.057962201 0.059209188 0.064014985 0.065974601 0.067468815 0.070603978 0.074809317 0.076754719 0.077370169 0.078161888 0.079235018 0.081776596 0.083149094 0.089181433 0.099632595 0.100000802 0.106290443 0.107354767 0.109872541 0.112813899 0.115912817 0.117221956 0.130481027 0.135116782 0.136054394 0.139069903 0.145517162 0.146485685 0.155118407 0.162157983 0.168878823 0.170404607 0.173370681 0.179963212 0.187073384 0.195388418 0.204145052 0.209079599 0.217058881 0.228885867 0.252784038 0.254440805 0.290684804 0.309050035 0.343030493 0.377621965 0.414091305 0.429592173 0.475842370 0.537617594 0.543760306 0.588610280 0.607303161 0.637260847 0.662560461 0.734478289 0.741007488 0.751719771 0.757581087 0.772803266 0.778288786 0.782073534 0.789244225 0.796753238 0.802634316 0.809821058 0.816466364 0.818737416 0.819743234 0.846957753 0.852342186 0.860454884 0.867176455 0.885287817 0.890601356 0.897113645 0.910135823 0.918284619 0.924488430 0.933240067 0.977998832 1.453776787 1.548234694</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">35</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.41745626" y3="-2.15960027" z3="10.92522527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39355475" y3="-1.2308358" z3="10.32697772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.11874503" y3="-1.91247904" z3="11.96108779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46264733" y3="-2.52378737" z3="10.95398824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.48740899" y3="-3.20930504" z3="10.32501042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50461607" y3="-4.13784486" z3="10.93116641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.44642973" y3="-2.84371296" z3="10.33137324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83722397" y3="-3.58527888" z3="8.88446843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8524996" y3="-4.02486407" z3="8.85282522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.11272217" y3="-4.33550475" z3="8.52042872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65710395" y3="-2.02264618" z3="7.54166809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.55831929" y3="-0.34897181" z3="6.04524154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.3270166" y3="-0.42776601" z3="6.70381768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.67467573" y3="0.72912339" z3="5.80085301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22327351" y3="-1.1056168" z3="4.74552939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04243622" y3="-2.16525265" z3="5.00806355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72535324" y3="-0.71192256" z3="4.32670647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3277658" y3="-1.02656683" z3="3.6937148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47070619" y3="0.0309034" z3="3.38906588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27400542" y3="-1.34136272" z3="4.16880949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09490558" y3="-1.88234904" z3="2.44539748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99248658" y3="-1.82987797" z3="1.79967517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99812833" y3="-2.94184778" z3="2.75065132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12970816" y3="-1.48295338" z3="1.62209062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07675186" y3="-0.41768941" z3="1.32878589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06407776" y3="-1.62243998" z3="2.19284496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20922013" y3="-2.08401042" z3="0.69792337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61969024" y3="-2.61490062" z3="7.87412337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76444444" y3="-0.83937237" z3="6.79494862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76448106" y3="-0.54305983" z3="6.4672962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8790816" y3="-2.48900708" z3="8.01183563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.39095977" y3="0.20035517" z3="11.67357738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.33634415" y3="0.52406127" z3="12.73188813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.35984207" y3="0.52403068" z3="11.2683598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.38935947" y3="-0.90520827" z3="11.65784501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.77069904" y3="0.74383839" z3="10.8463382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.72859438" y3="0.39916868" z3="11.27313185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.78604152" y3="1.84737956" z3="10.90140286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.71783457" y3="0.29755542" z3="9.38342316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59230218" y3="-0.80017352" z3="9.33772448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17144621" y3="0.71898063" z3="8.88153839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.97374692" y3="0.71750707" z3="8.62076189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.09093431" y3="0.63205277" z3="9.1160658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79348043" y3="1.43063916" z3="7.77872195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4175,-2.1596,10.9252;-3.3936,-1.2308,10.327;-3.1187,-1.9125,11.9611;-4.4626,-2.5238,10.954;-2.4874,-3.2093,10.325;-2.5046,-4.1378,10.9312;-1.4464,-2.8437,10.3314;-2.8372,-3.5853,8.8845;-3.8525,-4.0249,8.8528;-2.1127,-4.3355,8.5204;-1.6571,-2.0226,7.5417;-.5583,-.349,6.0452;.327,-.4278,6.7038;-.6747,.7291,5.8009;-.2233,-1.1056,4.7455;-.0424,-2.1653,5.0081;.7254,-.7119,4.3267;-1.3278,-1.0266,3.6937;-1.4707,.0309,3.3891;-2.274,-1.3414,4.1688;-1.0949,-1.8823,2.4454;-1.9925,-1.8299,1.7997;-.9981,-2.9418,2.7507;.1297,-1.483,1.6221;.0768,-.4177,1.3288;1.0641,-1.6224,2.1928;.2092,-2.084,.6979;-.6197,-2.6149,7.8741;-1.7644,-.8394,6.7949;-2.7645,-.5431,6.4673;-2.8791,-2.489,8.0118;.391,.2004,11.6736;.3363,.5241,12.7319;1.3598,.524,11.2684;.3894,-.9052,11.6578;-.7707,.7438,10.8463;-1.7286,.3992,11.2731;-.786,1.8474,10.9014;-.7178,.2976,9.3834;-.5923,-.8002,9.3377;.1714,.719,8.8815;-1.9737,.7175,8.6208;-3.0909,.6321,9.1161;-1.7935,1.4306,7.7787;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604231681148</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007126235439 0.001241988851 0.030800376357 0.008703916076</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.012730886 -0.003624216 0.000115233 0.000154495 0.000387877 0.000623072 0.001139339 0.001761554 0.002001333 0.002121977 0.002294549 0.002864462 0.003146113 0.003661192 0.004225736 0.005502648 0.006102343 0.007034685 0.008546793 0.010012413 0.011892973 0.013567233 0.016356693 0.019231389 0.021452456 0.022327081 0.024848692 0.029411294 0.030198319 0.031664992 0.032336926 0.033274319 0.034731330 0.037518964 0.040160872 0.044337726 0.046471944 0.046935787 0.051628476 0.051983191 0.052606321 0.053553287 0.054089475 0.057962189 0.059209213 0.064019964 0.065983080 0.067468633 0.070602798 0.074845090 0.076754453 0.077377876 0.078171382 0.079237803 0.081777926 0.083248007 0.089205960 0.099633036 0.100002919 0.106309495 0.107447569 0.109902706 0.112818532 0.115922320 0.121432480 0.130490268 0.135117334 0.136072781 0.139070311 0.145576285 0.146505043 0.155148433 0.162155821 0.168887785 0.170462641 0.173382571 0.179963802 0.187072857 0.195389947 0.204357992 0.209275159 0.217091074 0.228892525 0.253276520 0.254698046 0.290683845 0.309053632 0.343030347 0.377728704 0.414093748 0.429595180 0.475842607 0.537633079 0.543794421 0.588610716 0.607303479 0.637266178 0.662560957 0.734479117 0.741105567 0.751719783 0.757581124 0.772803361 0.778289911 0.782074959 0.792793996 0.796755137 0.802640146 0.810333500 0.817788899 0.818921061 0.819822048 0.846958331 0.852350161 0.861673837 0.867194737 0.886426462 0.890621223 0.897116489 0.910148971 0.918286452 0.925066099 0.933240072 0.978037487 1.453863634 1.548263974</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">36</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.4226551" y3="-2.15664951" z3="10.91620634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39879868" y3="-1.22894814" z3="10.31640532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.12983759" y3="-1.90669561" z3="11.95297224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.46663869" y3="-2.52437427" z3="10.94055094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.48616704" y3="-3.20413429" z3="10.32216647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.503277" y3="-4.1317046" z3="10.92935752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.44654663" y3="-2.83516568" z3="10.33308645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8278992" y3="-3.58251547" z3="8.88056022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84155323" y3="-4.02537697" z3="8.84424668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09911837" y3="-4.33004842" z3="8.51972848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64722899" y3="-2.01774404" z3="7.54037697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.54963604" y3="-0.3439476" z3="6.04382952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.33756057" y3="-0.42186697" z3="6.70008772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.66609088" y3="0.7336621" z3="5.79776972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21976515" y3="-1.10377687" z3="4.74450522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0366278" y3="-2.16242588" z3="5.00904087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72639228" y3="-0.71038558" z3="4.31976856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32978011" y3="-1.02904481" z3="3.69806935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47543918" y3="0.02723151" z3="3.39095003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27314868" y3="-1.34327776" z3="4.17914359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10310899" y3="-1.88853541" z3="2.45108948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.0048592" y3="-1.83985188" z3="1.8109131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.0026089" y3="-2.94674559" z3="2.75922048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11542357" y3="-1.48971401" z3="1.61855165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05843543" y3="-0.42573911" z3="1.32175985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.053643" y3="-1.62523793" z3="2.18389148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19022111" y3="-2.09390041" z3="0.69597302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61030757" y3="-2.60999922" z3="7.87056005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7543338" y3="-0.83221458" z3="6.79757075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.75453471" y3="-0.53815536" z3="6.46839878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.86930438" y3="-2.48629827" z3="8.00819736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.38014892" y3="0.18643927" z3="11.68422955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.30554378" y3="0.50772793" z3="12.73752726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.36075858" y3="0.54478897" z3="11.2954634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.39034104" y3="-0.91734606" z3="11.66074404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.77609982" y3="0.73154462" z3="10.85019155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.73483984" y3="0.38188445" z3="11.2669687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79938945" y3="1.84171449" z3="10.92379542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.71114863" y3="0.29910637" z3="9.38378096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58124007" y3="-0.79564589" z3="9.33334336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1796951" y3="0.72993704" z3="8.89107915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9637704" y3="0.72017931" z3="8.6156117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.08330132" y3="0.63776788" z3="9.1077873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.77746975" y3="1.4348696" z3="7.77690225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4227,-2.1566,10.9162;-3.3988,-1.2289,10.3164;-3.1298,-1.9067,11.953;-4.4666,-2.5244,10.9406;-2.4862,-3.2041,10.3222;-2.5033,-4.1317,10.9294;-1.4465,-2.8352,10.3331;-2.8279,-3.5825,8.8806;-3.8416,-4.0254,8.8442;-2.0991,-4.33,8.5197;-1.6472,-2.0177,7.5404;-.5496,-.3439,6.0438;.3376,-.4219,6.7001;-.6661,.7337,5.7978;-.2198,-1.1038,4.7445;-.0366,-2.1624,5.009;.7264,-.7104,4.3198;-1.3298,-1.029,3.6981;-1.4754,.0272,3.391;-2.2731,-1.3433,4.1791;-1.1031,-1.8885,2.4511;-2.0049,-1.8399,1.8109;-1.0026,-2.9467,2.7592;.1154,-1.4897,1.6186;.0584,-.4257,1.3218;1.0536,-1.6252,2.1839;.1902,-2.0939,.696;-.6103,-2.61,7.8706;-1.7543,-.8322,6.7976;-2.7545,-.5382,6.4684;-2.8693,-2.4863,8.0082;.3801,.1864,11.6842;.3055,.5077,12.7375;1.3608,.5448,11.2955;.3903,-.9173,11.6607;-.7761,.7315,10.8502;-1.7348,.3819,11.267;-.7994,1.8417,10.9238;-.7111,.2991,9.3838;-.5812,-.7956,9.3333;.1797,.7299,8.8911;-1.9638,.7202,8.6156;-3.0833,.6378,9.1078;-1.7775,1.4349,7.7769;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604199794664</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008663627115 0.001590183201 0.022685564867 0.008704885194</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.012640178 -0.004834560 0.000115593 0.000154493 0.000387569 0.000625001 0.001142241 0.001760988 0.001997963 0.002122462 0.002295957 0.002863548 0.003143295 0.003660344 0.004225271 0.005503935 0.006103500 0.007031370 0.008552449 0.010058478 0.011968648 0.013851246 0.016502474 0.019238617 0.021460299 0.022373218 0.024851568 0.029411290 0.030201394 0.031665404 0.032339894 0.033275237 0.034732871 0.037516964 0.040161523 0.044337863 0.046472132 0.046936084 0.051649266 0.051970349 0.052606826 0.054078895 0.054931442 0.057962587 0.059209966 0.064049400 0.066016465 0.067470074 0.070603237 0.074869094 0.076754234 0.077380668 0.078168071 0.079242058 0.081777776 0.083356043 0.089226156 0.099633116 0.100004219 0.106332436 0.107562862 0.109932513 0.112822868 0.115924246 0.127482762 0.130542259 0.135120481 0.136444398 0.139074727 0.145840974 0.146832182 0.155170715 0.162152912 0.168905103 0.170594362 0.173410085 0.179963656 0.187072949 0.195390240 0.204415399 0.209387266 0.217155454 0.228940022 0.253466924 0.255101675 0.290683252 0.309105540 0.343030420 0.378519349 0.414104966 0.429595032 0.475842976 0.537645073 0.543805871 0.588610740 0.607303593 0.638213009 0.662561142 0.734479011 0.741188539 0.751719850 0.757581167 0.772803459 0.778291729 0.782074699 0.796755065 0.798682661 0.802645224 0.810512672 0.818520913 0.819639346 0.822051916 0.846958596 0.852354703 0.863984894 0.867249249 0.888309816 0.890730421 0.897124312 0.910165454 0.918290207 0.925821555 0.933241690 0.978075345 1.453918132 1.548271060</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="-3.42977608" y3="-2.15474926" z3="10.90646477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.40356571" y3="-1.22735964" z3="10.30631728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.14473813" y3="-1.90373624" z3="11.94512637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.47299008" y3="-2.52513529" z3="10.92376289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.48659344" y3="-3.19995362" z3="10.31908174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50447006" y3="-4.12718536" z3="10.92693034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.44807532" y3="-2.82762592" z3="10.33608772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.81897385" y3="-3.58029432" z3="8.8757385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83067099" y3="-4.02732714" z3="8.83408484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08509322" y3="-4.32456628" z3="8.51859684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6375998" y3="-2.01369624" z3="7.53849546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.54074668" y3="-0.33882032" z3="6.04201868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.34810151" y3="-0.4159244" z3="6.69618527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.65752933" y3="0.73837591" z3="5.79457471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21592516" y3="-1.10138128" z3="4.7428119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03043672" y3="-2.15923063" z3="5.00894419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72777705" y3="-0.70817161" z3="4.31240041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33143702" y3="-1.03048709" z3="3.70185811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47907707" y3="0.02466119" z3="3.39189991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2720648" y3="-1.34326407" z3="4.1891147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11185209" y3="-1.89437638" z3="2.45664427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.01776163" y3="-1.84897691" z3="1.82214672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00841366" y3="-2.95129027" z3="2.76812139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.10080696" y3="-1.4976153" z3="1.61465132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.04041201" y3="-0.43507672" z3="1.31352871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04272124" y3="-1.62931896" z3="2.17474044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.17056804" y3="-2.10573071" z3="0.69421124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.60068517" y3="-2.6063114" z3="7.86856557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.74407179" y3="-0.82505718" z3="6.79950164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.74452101" y3="-0.53167423" z3="6.4700397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.85988928" y3="-2.48389499" z3="8.00310101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.37463359" y3="0.19123881" z3="11.69470468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.28835027" y3="0.49657576" z3="12.75753559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.34543418" y3="0.53896406" z3="11.31269385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.39668133" y3="-0.91553363" z3="11.66200405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.78495584" y3="0.7270702" z3="10.85967607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.74655774" y3="0.35919888" z3="11.26609962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.81835856" y3="1.82776194" z3="10.9278537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.7013415" y3="0.3039848" z3="9.38983754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55863489" y3="-0.79395657" z3="9.32551878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19109575" y3="0.74836665" z3="8.906848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95194856" y3="0.72180569" z3="8.6140428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07326158" y3="0.64026954" z3="9.10308991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.76292694" y3="1.43883583" z3="7.77672162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4298,-2.1547,10.9065;-3.4036,-1.2274,10.3063;-3.1447,-1.9037,11.9451;-4.473,-2.5251,10.9238;-2.4866,-3.2,10.3191;-2.5045,-4.1272,10.9269;-1.4481,-2.8276,10.3361;-2.819,-3.5803,8.8757;-3.8307,-4.0273,8.8341;-2.0851,-4.3246,8.5186;-1.6376,-2.0137,7.5385;-.5407,-.3388,6.042;.3481,-.4159,6.6962;-.6575,.7384,5.7946;-.2159,-1.1014,4.7428;-.0304,-2.1592,5.0089;.7278,-.7082,4.3124;-1.3314,-1.0305,3.7019;-1.4791,.0247,3.3919;-2.2721,-1.3433,4.1891;-1.1119,-1.8944,2.4566;-2.0178,-1.849,1.8221;-1.0084,-2.9513,2.7681;.1008,-1.4976,1.6147;.0404,-.4351,1.3135;1.0427,-1.6293,2.1747;.1706,-2.1057,.6942;-.6007,-2.6063,7.8686;-1.7441,-.8251,6.7995;-2.7445,-.5317,6.47;-2.8599,-2.4839,8.0031;.3746,.1912,11.6947;.2884,.4966,12.7575;1.3454,.539,11.3127;.3967,-.9155,11.662;-.785,.7271,10.8597;-1.7466,.3592,11.2661;-.8184,1.8278,10.9279;-.7013,.304,9.3898;-.5586,-.794,9.3255;.1911,.7484,8.9068;-1.9519,.7218,8.614;-3.0733,.6403,9.1031;-1.7629,1.4388,7.7767;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604184190097</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010769990624 0.001687039434 0.023457007938 0.008702791110</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.012626632 -0.005274781 0.000125396 0.000157092 0.000483481 0.000665886 0.001141917 0.001762824 0.002034452 0.002123369 0.002337990 0.002883592 0.003283300 0.003701959 0.004229568 0.005505021 0.006110217 0.007060632 0.008608318 0.010082438 0.011967020 0.013853657 0.016512290 0.019244688 0.021466880 0.022424109 0.024864473 0.029412943 0.030201962 0.031665675 0.032339908 0.033275895 0.034732818 0.037525272 0.040161615 0.044337875 0.046472085 0.046936094 0.051713713 0.052002746 0.052607145 0.054081438 0.055857797 0.057963216 0.059210154 0.064060931 0.066035014 0.067469472 0.070607735 0.074865790 0.076754240 0.077381647 0.078166867 0.079241217 0.081777453 0.083345482 0.089228029 0.099633155 0.100004690 0.106353383 0.107690388 0.109947345 0.112824853 0.115925933 0.130417270 0.132624296 0.135125807 0.137892900 0.139137453 0.146098076 0.149345822 0.155209558 0.162152382 0.168929305 0.170740060 0.173437334 0.179965368 0.187079053 0.195396325 0.204464853 0.209424828 0.217147522 0.228975741 0.253453937 0.255067549 0.290686366 0.309163315 0.343032456 0.379510323 0.414127436 0.429595026 0.475843516 0.537653255 0.543830675 0.588611185 0.607303919 0.640082710 0.662561589 0.734478856 0.741200692 0.751719872 0.757581470 0.772803519 0.778294610 0.782074568 0.796758950 0.801341404 0.802664982 0.810902940 0.818595544 0.819668468 0.829882788 0.846961390 0.852367310 0.866869729 0.868108875 0.890179841 0.891476763 0.897145015 0.910179599 0.918294541 0.926315486 0.933242733 0.978075486 1.453918281 1.548273543</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="-3.43745324" y3="-2.15209969" z3="10.89556424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.40958353" y3="-1.22444435" z3="10.29552648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.16218768" y3="-1.90013174" z3="11.93678053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.47950768" y3="-2.52666346" z3="10.90377509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.48503449" y3="-3.19355375" z3="10.31608345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50179599" y3="-4.12019348" z3="10.92536219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.44835321" y3="-2.81541496" z3="10.33909065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.80676274" y3="-3.57770092" z3="8.87121239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.81584402" y3="-4.03013" z3="8.82383784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.06678568" y3="-4.31843475" z3="8.5192145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.62560057" y3="-2.0077935" z3="7.53830473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.53235834" y3="-0.33217465" z3="6.03946982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.35842593" y3="-0.40764482" z3="6.69125876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.65052058" y3="0.74450968" z3="5.79056705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21179078" y3="-1.09719317" z3="4.74060019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02236835" y3="-2.15398313" z3="5.00855348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72869253" y3="-0.70288548" z3="4.30418296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33331186" y3="-1.03192934" z3="3.70556786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.484137" y3="0.02180647" z3="3.39202974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27066748" y3="-1.34386186" z3="4.1995701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.1204225" y3="-1.90106963" z3="2.46295536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.03101598" y3="-1.86062469" z3="1.83471919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.012451" y3="-2.95641527" z3="2.77870586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.08533058" y3="-1.50548521" z3="1.61057702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.01958871" y3="-0.44473975" z3="1.30367951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.03147959" y3="-1.6311632" z3="2.16512651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.15057455" y3="-2.11877551" z3="0.69325053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.58776464" y3="-2.59776564" z3="7.87155723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.73383316" y3="-0.81807182" z3="6.80017104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.73474686" y3="-0.52695017" z3="6.47029901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.84800712" y3="-2.48217648" z3="7.99729947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.36188799" y3="0.17554745" z3="11.70706327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.27312908" y3="0.48246837" z3="12.7620977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.34117159" y3="0.54246569" z3="11.33615086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.38409897" y3="-0.92516496" z3="11.67442428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.78790831" y3="0.71530652" z3="10.8608742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.74525416" y3="0.35270137" z3="11.26024989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.82907429" y3="1.82337726" z3="10.94693114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69575918" y3="0.30446723" z3="9.39061167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55197855" y3="-0.78685037" z3="9.32935384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1979305" y3="0.75083581" z3="8.91827836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.94263409" y3="0.72291785" z3="8.60983805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06582925" y3="0.64182397" z3="9.09521292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.74992948" y3="1.44264542" z3="7.77639387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4375,-2.1521,10.8956;-3.4096,-1.2244,10.2955;-3.1622,-1.9001,11.9368;-4.4795,-2.5267,10.9038;-2.485,-3.1936,10.3161;-2.5018,-4.1202,10.9254;-1.4484,-2.8154,10.3391;-2.8068,-3.5777,8.8712;-3.8158,-4.0301,8.8238;-2.0668,-4.3184,8.5192;-1.6256,-2.0078,7.5383;-.5324,-.3322,6.0395;.3584,-.4076,6.6913;-.6505,.7445,5.7906;-.2118,-1.0972,4.7406;-.0224,-2.154,5.0086;.7287,-.7029,4.3042;-1.3333,-1.0319,3.7056;-1.4841,.0218,3.392;-2.2707,-1.3439,4.1996;-1.1204,-1.9011,2.463;-2.031,-1.8606,1.8347;-1.0125,-2.9564,2.7787;.0853,-1.5055,1.6106;.0196,-.4447,1.3037;1.0315,-1.6312,2.1651;.1506,-2.1188,.6933;-.5878,-2.5978,7.8716;-1.7338,-.8181,6.8002;-2.7347,-.527,6.4703;-2.848,-2.4822,7.9973;.3619,.1755,11.7071;.2731,.4825,12.7621;1.3412,.5425,11.3362;.3841,-.9252,11.6744;-.7879,.7153,10.8609;-1.7453,.3527,11.2602;-.8291,1.8234,10.9469;-.6958,.3045,9.3906;-.552,-.7869,9.3294;.1979,.7508,8.9183;-1.9426,.7229,8.6098;-3.0658,.6418,9.0952;-1.7499,1.4426,7.7764;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604187864273</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009643424710 0.001568724479 0.022980534163 0.008702109766</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.012630510 -0.004237402 0.000124640 0.000157423 0.000459515 0.000694051 0.001145143 0.001765364 0.002047706 0.002122708 0.002381181 0.002890724 0.003408794 0.003785909 0.004237078 0.005508306 0.006117352 0.007092330 0.008642628 0.010084374 0.011989822 0.013932756 0.016574514 0.019244350 0.021477069 0.022482094 0.024891111 0.029413196 0.030201860 0.031668405 0.032342654 0.033281014 0.034733830 0.037569757 0.040161739 0.044339631 0.046472170 0.046936198 0.051724194 0.052004923 0.052607184 0.054082372 0.056149976 0.057963526 0.059212468 0.064063347 0.066035876 0.067472485 0.070619660 0.074884752 0.076757729 0.077386144 0.078306390 0.079242174 0.081776989 0.083441577 0.089233207 0.099633250 0.100004662 0.106367570 0.107781888 0.109954950 0.112825650 0.115928618 0.130468491 0.134176257 0.135127422 0.138854248 0.139410038 0.146155959 0.153439913 0.155293426 0.162156509 0.168925471 0.170736574 0.173433201 0.179965810 0.187078022 0.195395868 0.204708643 0.209923786 0.217205079 0.228975496 0.253589282 0.255552925 0.290702776 0.309172960 0.343033953 0.379951311 0.414137020 0.429601931 0.475844751 0.537674950 0.543912961 0.588611580 0.607303954 0.642911705 0.662562967 0.734479575 0.741204264 0.751719830 0.757582235 0.772803512 0.778296582 0.782075292 0.796759398 0.802199809 0.802736199 0.811407134 0.818607814 0.819671075 0.837752526 0.846970659 0.852374902 0.867135510 0.871972653 0.890487212 0.894132899 0.897188505 0.910179496 0.918297332 0.926404959 0.933242841 0.978121369 1.453931922 1.548336114</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="-3.44805488" y3="-2.15304526" z3="10.88455149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.41582642" y3="-1.2241928" z3="10.28669137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.18450852" y3="-1.90285173" z3="11.92914046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.48908227" y3="-2.53037446" z3="10.88079456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.48715091" y3="-3.19090247" z3="10.31279455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50529227" y3="-4.11744413" z3="10.92155927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.45222526" y3="-2.80917878" z3="10.34448626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.79627529" y3="-3.57591258" z3="8.86578745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.80295737" y3="-4.03247576" z3="8.81074271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.05058588" y3="-4.31263296" z3="8.5178793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.61387493" y3="-2.00257144" z3="7.53793336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.52374006" y3="-0.32461728" z3="6.03915753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.37004189" y3="-0.39887783" z3="6.68685073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.64287855" y3="0.75143086" z3="5.78854138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20973619" y3="-1.09285765" z3="4.7402158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01804289" y3="-2.1488404" z3="5.00934137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.7283382" y3="-0.69906438" z3="4.29815591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33591291" y3="-1.03124666" z3="3.70988196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48740634" y3="0.0210541" z3="3.3923191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27131813" y3="-1.34033109" z3="4.20919308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.12964542" y3="-1.9063153" z3="2.47002805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.04385972" y3="-1.86936173" z3="1.84700742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.0195325" y3="-2.95996174" z3="2.79014658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.07066536" y3="-1.51478442" z3="1.60822201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.00181964" y3="-0.45636759" z3="1.29459248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.02006747" y3="-1.63558558" z3="2.15807669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.13145592" y3="-2.13410529" z3="0.69454176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.57681409" y3="-2.59405587" z3="7.86588611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7220932" y3="-0.80717882" z3="6.80782925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.72355197" y3="-0.52092322" z3="6.47498453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.83597407" y3="-2.47922941" z3="7.99349476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.35837235" y3="0.18061579" z3="11.71680418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.25123126" y3="0.47563829" z3="12.78077509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.33558324" y3="0.55159236" z3="11.35621338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.39137555" y3="-0.92711252" z3="11.67114241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.79096759" y3="0.71536121" z3="10.86662475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.75617663" y3="0.33391388" z3="11.25440492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83444768" y3="1.81590722" z3="10.94749925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68745694" y3="0.30482818" z3="9.39658103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.53593971" y3="-0.79069075" z3="9.32743808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.20666266" y3="0.75658236" z3="8.9286907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.93170914" y3="0.71948778" z3="8.60654885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05772217" y3="0.6393978" z3="9.08824245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.73321545" y3="1.44666737" z3="7.78058051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4481,-2.153,10.8846;-3.4158,-1.2242,10.2867;-3.1845,-1.9029,11.9291;-4.4891,-2.5304,10.8808;-2.4872,-3.1909,10.3128;-2.5053,-4.1174,10.9216;-1.4522,-2.8092,10.3445;-2.7963,-3.5759,8.8658;-3.803,-4.0325,8.8107;-2.0506,-4.3126,8.5179;-1.6139,-2.0026,7.5379;-.5237,-.3246,6.0392;.37,-.3989,6.6869;-.6429,.7514,5.7885;-.2097,-1.0929,4.7402;-.018,-2.1488,5.0093;.7283,-.6991,4.2982;-1.3359,-1.0312,3.7099;-1.4874,.0211,3.3923;-2.2713,-1.3403,4.2092;-1.1296,-1.9063,2.47;-2.0439,-1.8694,1.847;-1.0195,-2.96,2.7901;.0707,-1.5148,1.6082;.0018,-.4564,1.2946;1.0201,-1.6356,2.1581;.1315,-2.1341,.6945;-.5768,-2.5941,7.8659;-1.7221,-.8072,6.8078;-2.7236,-.5209,6.475;-2.836,-2.4792,7.9935;.3584,.1806,11.7168;.2512,.4756,12.7808;1.3356,.5516,11.3562;.3914,-.9271,11.6711;-.791,.7154,10.8666;-1.7562,.3339,11.2544;-.8344,1.8159,10.9475;-.6875,.3048,9.3966;-.5359,-.7907,9.3274;.2067,.7566,8.9287;-1.9317,.7195,8.6065;-3.0577,.6394,9.0882;-1.7332,1.4467,7.7806;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604186444161</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008243617031 0.001298116389 0.029948310599 0.008705912233</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013025092 -0.003252921 0.000132524 0.000163304 0.000502117 0.000695531 0.001148028 0.001773313 0.002051571 0.002126490 0.002412452 0.002890392 0.003399470 0.003806024 0.004237407 0.005509168 0.006130160 0.007112667 0.008641063 0.010132382 0.012062011 0.014197856 0.016876677 0.019247309 0.021500039 0.022576915 0.024925263 0.029413717 0.030201320 0.031668491 0.032343150 0.033283709 0.034736287 0.037594842 0.040161759 0.044338991 0.046472109 0.046936207 0.051739034 0.052052559 0.052607544 0.054085281 0.056146529 0.057963601 0.059210438 0.064064517 0.066033387 0.067478343 0.070627439 0.074882342 0.076764044 0.077410044 0.078801637 0.079247252 0.081776525 0.083741885 0.089242555 0.099633289 0.100004678 0.106374047 0.107826335 0.109956944 0.112825844 0.115929420 0.130493514 0.135039185 0.135128445 0.138959137 0.139436275 0.146188495 0.155136311 0.156754553 0.162200727 0.168939063 0.170814970 0.173502191 0.179978807 0.187107970 0.195400280 0.204909003 0.210622820 0.217601324 0.229088914 0.253698083 0.256247774 0.290701488 0.309182598 0.343034275 0.379940777 0.414136657 0.429603138 0.475847292 0.537775608 0.544322488 0.588611684 0.607304005 0.644731716 0.662563635 0.734479303 0.741286313 0.751721303 0.757584291 0.772803615 0.778296552 0.782075357 0.796762395 0.802221274 0.802749095 0.812368211 0.818618213 0.819671285 0.843852988 0.847008641 0.852391616 0.867175937 0.875138778 0.890573830 0.895202289 0.897237381 0.910188270 0.918297312 0.926527268 0.933242898 0.978197959 1.453962293 1.548384125</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="-3.46281591" y3="-2.1537495" z3="10.87245078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42590757" y3="-1.22338304" z3="10.27703824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.21445683" y3="-1.9049769" z3="11.92130151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50225535" y3="-2.5355267" z3="10.85354592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.48977771" y3="-3.18629955" z3="10.31102406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50787598" y3="-4.11274408" z3="10.92028865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.45745038" y3="-2.79757209" z3="10.35306787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.78303519" y3="-3.57426919" z3="8.86133255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.78573401" y3="-4.03889939" z3="8.79761392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.02824206" y3="-4.30486968" z3="8.51971994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.60239409" y3="-1.99736078" z3="7.53566531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.51723454" y3="-0.31566507" z3="6.03690505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.37888218" y3="-0.38740457" z3="6.68184179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.63905453" y3="0.75983573" z3="5.78539076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20684753" y3="-1.08579313" z3="4.73810695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01080746" y3="-2.14064544" z3="5.00894477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.7280283" y3="-0.6903434" z3="4.29086197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33787545" y3="-1.0303487" z3="3.71243959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49156275" y3="0.02011524" z3="3.38951281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27087645" y3="-1.33734829" z3="4.2175238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.13720061" y3="-1.91270116" z3="2.47678117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.05476398" y3="-1.88047612" z3="1.85835465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02447656" y3="-2.96433055" z3="2.80292815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.05801492" y3="-1.52585251" z3="1.6059001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.01439112" y3="-0.4701113" z3="1.28380965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.01044453" y3="-1.6405354" z3="2.15190644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.11521854" y3="-2.15253379" z3="0.69700698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.5640482" y3="-2.58746686" z3="7.86299402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.71277549" y3="-0.79902308" z3="6.80957145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.71526857" y3="-0.51497472" z3="6.477643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.82376145" y3="-2.47737032" z3="7.98883373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.35562486" y3="0.17096891" z3="11.72285977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.25234657" y3="0.46844941" z3="12.78030613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.33065681" y3="0.54206402" z3="11.36211712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.39027834" y3="-0.92997795" z3="11.68486607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.79480562" y3="0.70484643" z3="10.87297433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.75134253" y3="0.33120455" z3="11.26142482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84709616" y3="1.80989653" z3="10.96368423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68193849" y3="0.30469041" z3="9.3988247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.52750643" y3="-0.7865306" z3="9.33088038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.215652" y3="0.7685471" z3="8.93937959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.92425106" y3="0.71917941" z3="8.60588907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.051209" y3="0.63789043" z3="9.08570899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.72446974" y3="1.45078303" z3="7.78315205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4628,-2.1537,10.8725;-3.4259,-1.2234,10.277;-3.2145,-1.905,11.9213;-4.5023,-2.5355,10.8535;-2.4898,-3.1863,10.311;-2.5079,-4.1127,10.9203;-1.4575,-2.7976,10.3531;-2.783,-3.5743,8.8613;-3.7857,-4.0389,8.7976;-2.0282,-4.3049,8.5197;-1.6024,-1.9974,7.5357;-.5172,-.3157,6.0369;.3789,-.3874,6.6818;-.6391,.7598,5.7854;-.2068,-1.0858,4.7381;-.0108,-2.1406,5.0089;.728,-.6903,4.2909;-1.3379,-1.0303,3.7124;-1.4916,.0201,3.3895;-2.2709,-1.3373,4.2175;-1.1372,-1.9127,2.4768;-2.0548,-1.8805,1.8584;-1.0245,-2.9643,2.8029;.058,-1.5259,1.6059;-.0144,-.4701,1.2838;1.0104,-1.6405,2.1519;.1152,-2.1525,.697;-.564,-2.5875,7.863;-1.7128,-.799,6.8096;-2.7153,-.515,6.4776;-2.8238,-2.4774,7.9888;.3556,.171,11.7229;.2523,.4684,12.7803;1.3307,.5421,11.3621;.3903,-.93,11.6849;-.7948,.7048,10.873;-1.7513,.3312,11.2614;-.8471,1.8099,10.9637;-.6819,.3047,9.3988;-.5275,-.7865,9.3309;.2157,.7685,8.9394;-1.9243,.7192,8.6059;-3.0512,.6379,9.0857;-1.7245,1.4508,7.7832;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604175746548</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008808437174 0.001257514946 0.032806872185 0.008703133587</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013111390 -0.003562942 0.000132257 0.000163399 0.000460666 0.000725164 0.001145909 0.001777417 0.002054371 0.002120508 0.002420906 0.002893764 0.003409279 0.003808424 0.004237219 0.005509164 0.006126695 0.007116969 0.008698387 0.010269524 0.012134616 0.014464802 0.017168392 0.019246122 0.021554828 0.022657360 0.024943040 0.029415470 0.030203002 0.031669210 0.032346895 0.033283394 0.034736622 0.037601900 0.040161802 0.044338613 0.046471921 0.046936343 0.051802802 0.052474050 0.052607369 0.054094547 0.056257871 0.057964629 0.059208599 0.064084351 0.066050407 0.067480521 0.070627654 0.074960424 0.076767583 0.077437081 0.079194526 0.079622178 0.081775508 0.084238766 0.089269852 0.099633312 0.100004651 0.106375573 0.107836646 0.109961805 0.112825945 0.115931384 0.130506012 0.135127859 0.135595880 0.138952480 0.139685393 0.146225544 0.155201253 0.158763205 0.162284666 0.169000460 0.171155896 0.173709005 0.180073134 0.187280514 0.195458610 0.204913062 0.211235005 0.218392393 0.229565243 0.253698779 0.256470559 0.290703903 0.309213740 0.343034385 0.380023380 0.414138387 0.429603501 0.475847454 0.537902734 0.545082415 0.588611671 0.607306398 0.645401481 0.662563843 0.734479010 0.741702188 0.751722826 0.757599552 0.772804279 0.778296377 0.782075582 0.796763069 0.802281012 0.802748960 0.813856100 0.818631534 0.819672840 0.846903008 0.850118955 0.852479212 0.867195884 0.876385215 0.890573036 0.895189239 0.897240126 0.910202063 0.918297288 0.927134909 0.933245148 0.978197649 1.453979546 1.548386592</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="-3.47968999" y3="-2.15504879" z3="10.86018331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43846073" y3="-1.22258798" z3="10.26804316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2472637" y3="-1.90853903" z3="11.91328438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.51690764" y3="-2.54225454" z3="10.82546178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49366104" y3="-3.18102734" z3="10.30920387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51055664" y3="-4.10727113" z3="10.9189888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4645702" y3="-2.78439" z3="10.36134646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.77022691" y3="-3.57263021" z3="8.85719724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.76822888" y3="-4.04598406" z3="8.78458228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.00609898" y3="-4.29653365" z3="8.52240721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.59219906" y3="-1.99031928" z3="7.53605089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.51398602" y3="-0.30406992" z3="6.03615918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.38477315" y3="-0.37203309" z3="6.67771889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.63942987" y3="0.77043774" z3="5.78257867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20609034" y3="-1.07695314" z3="4.73807014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.00565314" y3="-2.13051582" z3="5.01079523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72616689" y3="-0.67998289" z3="4.2866071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34038028" y3="-1.02806416" z3="3.71553765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49553103" y3="0.02028468" z3="3.38655902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27163858" y3="-1.3324225" z3="4.22527855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.14361264" y3="-1.91837427" z3="2.48486302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.06352568" y3="-1.89079796" z3="1.86975979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02912865" y3="-2.96774558" z3="2.81760498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.04796381" y3="-1.5370031" z3="1.60667249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.02704722" y3="-0.48412389" z3="1.27599067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0024935" y3="-1.64598258" z3="2.15009236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.10275958" y3="-2.17120899" z3="0.7028488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.55239331" y3="-2.57817675" z3="7.86206985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.70604696" y3="-0.78745444" z3="6.81513259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.70947551" y3="-0.50857889" z3="6.48180372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.81237591" y3="-2.47595662" z3="7.98410736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.35764958" y3="0.16897482" z3="11.72786391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.24783974" y3="0.4609791" z3="12.7898372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.33661109" y3="0.55004952" z3="11.37378396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.39490323" y3="-0.93597616" z3="11.68149671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.78894019" y3="0.70348432" z3="10.87387958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.75306374" y3="0.31270756" z3="11.25520883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84214028" y3="1.80434715" z3="10.96394762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67648084" y3="0.3036462" z3="9.40302455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51802405" y3="-0.79065724" z3="9.33231662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.21536339" y3="0.75334321" z3="8.94229184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.91838988" y3="0.71549446" z3="8.60558119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.04680133" y3="0.63260708" z3="9.08446637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.71686652" y3="1.45569546" z3="7.79167503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4797,-2.155,10.8602;-3.4385,-1.2226,10.268;-3.2473,-1.9085,11.9133;-4.5169,-2.5423,10.8255;-2.4937,-3.181,10.3092;-2.5106,-4.1073,10.919;-1.4646,-2.7844,10.3613;-2.7702,-3.5726,8.8572;-3.7682,-4.046,8.7846;-2.0061,-4.2965,8.5224;-1.5922,-1.9903,7.5361;-.514,-.3041,6.0362;.3848,-.372,6.6777;-.6394,.7704,5.7826;-.2061,-1.077,4.7381;-.0057,-2.1305,5.0108;.7262,-.68,4.2866;-1.3404,-1.0281,3.7155;-1.4955,.0203,3.3866;-2.2716,-1.3324,4.2253;-1.1436,-1.9184,2.4849;-2.0635,-1.8908,1.8698;-1.0291,-2.9677,2.8176;.048,-1.537,1.6067;-.027,-.4841,1.276;1.0025,-1.646,2.1501;.1028,-2.1712,.7028;-.5524,-2.5782,7.8621;-1.706,-.7875,6.8151;-2.7095,-.5086,6.4818;-2.8124,-2.476,7.9841;.3576,.169,11.7279;.2478,.461,12.7898;1.3366,.55,11.3738;.3949,-.936,11.6815;-.7889,.7035,10.8739;-1.7531,.3127,11.2552;-.8421,1.8043,10.9639;-.6765,.3036,9.403;-.518,-.7907,9.3323;.2154,.7533,8.9423;-1.9184,.7155,8.6056;-3.0468,.6326,9.0845;-1.7169,1.4557,7.7917;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604150568118</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011208111914 0.001463849432 0.035641804299 0.008703874394</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013411697 -0.004614937 0.000135050 0.000162800 0.000416959 0.000781698 0.001139803 0.001788019 0.002053896 0.002118160 0.002420817 0.002894852 0.003410262 0.003814963 0.004237738 0.005509143 0.006125501 0.007116459 0.008748314 0.010419527 0.012180335 0.014568289 0.017143106 0.019262131 0.021606626 0.022651199 0.024941176 0.029420467 0.030215034 0.031668564 0.032371324 0.033289492 0.034737446 0.037606948 0.040162736 0.044339091 0.046472171 0.046936472 0.051822010 0.052606458 0.052999278 0.054107737 0.056677325 0.057973320 0.059212584 0.064149819 0.066139536 0.067480315 0.070685358 0.075458653 0.076768088 0.077508670 0.079207109 0.080030996 0.081775641 0.084553464 0.089267717 0.099633384 0.100004875 0.106376234 0.107837679 0.109963344 0.112825849 0.115931873 0.130521683 0.135129111 0.135868584 0.138990844 0.141773084 0.146280111 0.155246135 0.160224118 0.162487099 0.169057703 0.171959274 0.174579686 0.180190841 0.187728008 0.195594280 0.204935115 0.211616298 0.219613511 0.230176574 0.253701919 0.256454402 0.290708728 0.309225726 0.343037755 0.380021787 0.414139353 0.429606327 0.475850361 0.537941776 0.545560964 0.588611627 0.607306380 0.645671057 0.662564013 0.734484819 0.743038387 0.751730489 0.757609837 0.772804397 0.778302754 0.782075281 0.796764027 0.802285914 0.802749666 0.815190556 0.818659087 0.819676774 0.846939826 0.852337405 0.858600238 0.867248586 0.876575867 0.890573039 0.896063069 0.897336450 0.910207358 0.918301025 0.927300592 0.933244831 0.978222736 1.453979581 1.548405110</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="-3.49878183" y3="-2.15749984" z3="10.84960235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45433447" y3="-1.22298621" z3="10.26103138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2829055" y3="-1.91303414" z3="11.9067215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53301413" y3="-2.55093875" z3="10.79879509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.4987465" y3="-3.17556064" z3="10.30919052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51340623" y3="-4.10111814" z3="10.91982918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47367079" y3="-2.76973057" z3="10.37080218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.75853952" y3="-3.57120291" z3="8.85535933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.75118737" y3="-4.05440787" z3="8.77462536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.98445795" y3="-4.2873999" z3="8.52727269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.58538855" y3="-1.98496534" z3="7.53379741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.51510294" y3="-0.29308945" z3="6.03417173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.38559547" y3="-0.35555085" z3="6.67361254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.64641896" y3="0.78028578" z3="5.77887965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20652" y3="-1.06716342" z3="4.73679942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.00041294" y3="-2.11916529" z3="5.01116171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72298676" y3="-0.66671368" z3="4.28282532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34258299" y3="-1.02595478" z3="3.71575254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49925949" y3="0.01997207" z3="3.37992149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27277713" y3="-1.32787988" z3="4.22882846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.14731751" y3="-1.92462785" z3="2.49071563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.0682237" y3="-1.90162583" z3="1.877033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03205725" y3="-2.97159618" z3="2.83046253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.04249434" y3="-1.5495682" z3="1.60752887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.03375522" y3="-0.49960364" z3="1.26828541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.99795252" y3="-1.65356891" z3="2.15008364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.09622661" y3="-2.19114003" z3="0.70881996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.54409171" y3="-2.57050469" z3="7.85623717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.70312951" y3="-0.77990381" z3="6.81754575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.70823543" y3="-0.50506873" z3="6.48520429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.80360418" y3="-2.47498901" z3="7.98211553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.36410151" y3="0.16281184" z3="11.72857112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.25078992" y3="0.44789" z3="12.79327447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.33899078" y3="0.54578553" z3="11.37514388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.40860815" y3="-0.94279764" z3="11.67521393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.78804728" y3="0.69236288" z3="10.87828234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.74386481" y3="0.3117655" z3="11.2608321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84353781" y3="1.79407622" z3="10.97317441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67152685" y3="0.29754618" z3="9.40416317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51319576" y3="-0.79114002" z3="9.33383613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.22840042" y3="0.7764069" z3="8.94917922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.91340305" y3="0.7126645" z3="8.60884058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.04133097" y3="0.62988306" z3="9.08939915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.71167995" y3="1.45843303" z3="7.79945073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4988,-2.1575,10.8496;-3.4543,-1.223,10.261;-3.2829,-1.913,11.9067;-4.533,-2.5509,10.7988;-2.4987,-3.1756,10.3092;-2.5134,-4.1011,10.9198;-1.4737,-2.7697,10.3708;-2.7585,-3.5712,8.8554;-3.7512,-4.0544,8.7746;-1.9845,-4.2874,8.5273;-1.5854,-1.985,7.5338;-.5151,-.2931,6.0342;.3856,-.3556,6.6736;-.6464,.7803,5.7789;-.2065,-1.0672,4.7368;-.0004,-2.1192,5.0112;.723,-.6667,4.2828;-1.3426,-1.026,3.7158;-1.4993,.02,3.3799;-2.2728,-1.3279,4.2288;-1.1473,-1.9246,2.4907;-2.0682,-1.9016,1.877;-1.0321,-2.9716,2.8305;.0425,-1.5496,1.6075;-.0338,-.4996,1.2683;.998,-1.6536,2.1501;.0962,-2.1911,.7088;-.5441,-2.5705,7.8562;-1.7031,-.7799,6.8175;-2.7082,-.5051,6.4852;-2.8036,-2.475,7.9821;.3641,.1628,11.7286;.2508,.4479,12.7933;1.339,.5458,11.3751;.4086,-.9428,11.6752;-.788,.6924,10.8783;-1.7439,.3118,11.2608;-.8435,1.7941,10.9732;-.6715,.2975,9.4042;-.5132,-.7911,9.3338;.2284,.7764,8.9492;-1.9134,.7127,8.6088;-3.0413,.6299,9.0894;-1.7117,1.4584,7.7995;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604096880364</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011287228863 0.001891498720 0.033017418195 0.008703208160</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013435626 -0.007607078 0.000140910 0.000177776 0.000409262 0.000784091 0.001139845 0.001799218 0.002056102 0.002116955 0.002428645 0.002892750 0.003409193 0.003827818 0.004237794 0.005509178 0.006128672 0.007118552 0.008744320 0.010394732 0.012173799 0.014562304 0.017672976 0.019404134 0.021610691 0.022825800 0.024968297 0.029420778 0.030215530 0.031667870 0.032384680 0.033293747 0.034740929 0.037607887 0.040164409 0.044338457 0.046471591 0.046936857 0.051827444 0.052606312 0.053280081 0.054113894 0.057292314 0.057987178 0.059205659 0.064297371 0.066533377 0.067480173 0.070904374 0.076593012 0.076773771 0.077925603 0.079205881 0.080025464 0.081776248 0.084649745 0.089268012 0.099633755 0.100005756 0.106380543 0.107848703 0.109966673 0.112825671 0.115933219 0.130529225 0.135131256 0.135894488 0.139016113 0.145066408 0.146770265 0.155253778 0.161729471 0.163017758 0.169116213 0.172564853 0.176806885 0.180693827 0.188500362 0.195754833 0.204933574 0.212133356 0.220853958 0.231002570 0.253771693 0.256902461 0.290706641 0.309225552 0.343036767 0.380381952 0.414148109 0.429605601 0.475850587 0.537958717 0.545618510 0.588612079 0.607307106 0.645776087 0.662564019 0.734486001 0.745281556 0.751738885 0.757637164 0.772805349 0.778302918 0.782075006 0.796764688 0.802327801 0.802795005 0.815766392 0.818682612 0.819679872 0.846945629 0.852357706 0.866753734 0.869189529 0.876847894 0.890608950 0.897019728 0.901647720 0.910213189 0.918300391 0.927379636 0.933253169 0.978260353 1.453991247 1.548409694</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="-3.51714549" y3="-2.15980245" z3="10.83948424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47049045" y3="-1.22347626" z3="10.25391979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.31592292" y3="-1.91697116" z3="11.89978009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54781826" y3="-2.56049692" z3="10.77480286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50349642" y3="-3.16936622" z3="10.30865778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51432778" y3="-4.09449776" z3="10.92017924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.48286929" y3="-2.75348615" z3="10.37907298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.74801801" y3="-3.56921913" z3="8.85343947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.73560708" y3="-4.06132941" z3="8.76584354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.96518526" y3="-4.27847979" z3="8.53171807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.57964559" y3="-1.97974387" z3="7.53119384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.51701954" y3="-0.28056669" z3="6.03343746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.38589287" y3="-0.33630219" z3="6.67045355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.654579" y3="0.79139345" z3="5.77602308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20798597" y3="-1.05714105" z3="4.73767917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.00285452" y3="-2.1073854" z3="5.01513667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71919042" y3="-0.65428413" z3="4.28114378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34531292" y3="-1.02392789" z3="3.71760766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50385023" y3="0.01953608" z3="3.37498139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2747624" y3="-1.3239779" z3="4.23318402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.14987525" y3="-1.93057767" z3="2.49842529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.0711837" y3="-1.91250899" z3="1.88508628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03358232" y3="-2.97514291" z3="2.84533783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.03911311" y3="-1.56110595" z3="1.61167942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.03819542" y3="-0.51384662" z3="1.26423561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.9951943" y3="-1.66031699" z3="2.15419283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.09259441" y3="-2.20953088" z3="0.71789358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.53641709" y3="-2.56470984" z3="7.8480009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.70105413" y3="-0.77023855" z3="6.8215099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7076233" y3="-0.49823489" z3="6.49137305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.79587864" y3="-2.47383935" z3="7.97894192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.37120704" y3="0.15322788" z3="11.727993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.26845542" y3="0.44038264" z3="12.78675432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.34317745" y3="0.53666189" z3="11.36942322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.41352915" y3="-0.9459903" z3="11.6802658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.78199732" y3="0.68977468" z3="10.88308545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.74229281" y3="0.28826666" z3="11.26344723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84675934" y3="1.79254067" z3="10.98722968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66364647" y3="0.3075697" z3="9.40482997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49470185" y3="-0.78853973" z3="9.32228079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.2250232" y3="0.76356817" z3="8.95076514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.90921554" y3="0.71314436" z3="8.60886462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03660107" y3="0.62472813" z3="9.09116528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.71153278" y3="1.46363004" z3="7.80185309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5171,-2.1598,10.8395;-3.4705,-1.2235,10.2539;-3.3159,-1.917,11.8998;-4.5478,-2.5605,10.7748;-2.5035,-3.1694,10.3087;-2.5143,-4.0945,10.9202;-1.4829,-2.7535,10.3791;-2.748,-3.5692,8.8534;-3.7356,-4.0613,8.7658;-1.9652,-4.2785,8.5317;-1.5796,-1.9797,7.5312;-.517,-.2806,6.0334;.3859,-.3363,6.6705;-.6546,.7914,5.776;-.208,-1.0571,4.7377;.0029,-2.1074,5.0151;.7192,-.6543,4.2811;-1.3453,-1.0239,3.7176;-1.5039,.0195,3.375;-2.2748,-1.324,4.2332;-1.1499,-1.9306,2.4984;-2.0712,-1.9125,1.8851;-1.0336,-2.9751,2.8453;.0391,-1.5611,1.6117;-.0382,-.5138,1.2642;.9952,-1.6603,2.1542;.0926,-2.2095,.7179;-.5364,-2.5647,7.848;-1.7011,-.7702,6.8215;-2.7076,-.4982,6.4914;-2.7959,-2.4738,7.9789;.3712,.1532,11.728;.2685,.4404,12.7868;1.3432,.5367,11.3694;.4135,-.946,11.6803;-.782,.6898,10.8831;-1.7423,.2883,11.2634;-.8468,1.7925,10.9872;-.6636,.3076,9.4048;-.4947,-.7885,9.3223;.225,.7636,8.9508;-1.9092,.7131,8.6089;-3.0366,.6247,9.0912;-1.7115,1.4636,7.8019;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604049458083</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.013657465318 0.002228392828 0.031582669121 0.008704328347</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013511848 -0.007944735 0.000140284 0.000178806 0.000400443 0.000796205 0.001137616 0.001804086 0.002055454 0.002115004 0.002427935 0.002899561 0.003431246 0.003831870 0.004237495 0.005509102 0.006130549 0.007119870 0.008764201 0.010439554 0.012194001 0.014669409 0.018417332 0.019744236 0.021611744 0.023352710 0.025039208 0.029421566 0.030215514 0.031667672 0.032383424 0.033293327 0.034743234 0.037630709 0.040165637 0.044339718 0.046471140 0.046936645 0.051829197 0.052605756 0.053291433 0.054112981 0.057463647 0.057995069 0.059206545 0.064411547 0.067095504 0.067483620 0.071155742 0.076762994 0.077102976 0.079115776 0.079342942 0.080845520 0.081787451 0.084677568 0.089271625 0.099633649 0.100007207 0.106388771 0.107935808 0.109970372 0.112825516 0.115932845 0.130541379 0.135131704 0.135907765 0.139022105 0.145869332 0.148807696 0.155251712 0.162230587 0.163877568 0.169131482 0.172856543 0.179116259 0.182540159 0.189974534 0.195964839 0.205103530 0.212759930 0.222266667 0.231706187 0.253804382 0.257731413 0.290705449 0.309253341 0.343036071 0.382298829 0.414182441 0.429605687 0.475854880 0.538081874 0.547078014 0.588612472 0.607308322 0.646016769 0.662570251 0.734490134 0.748141418 0.751769052 0.757662462 0.772805407 0.778301991 0.782074647 0.796766965 0.802598771 0.803254387 0.815772670 0.818685678 0.819681803 0.846949742 0.852367857 0.867040826 0.873942140 0.878264356 0.890608680 0.897097421 0.910163177 0.914686478 0.918302497 0.931904759 0.933259777 0.978261007 1.454018791 1.548429006</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="-3.53522127" y3="-2.16157155" z3="10.83080857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48913431" y3="-1.22371829" z3="10.24762239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.34750559" y3="-1.91912494" z3="11.89367487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.56184419" y3="-2.57040948" z3="10.75410792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5078047" y3="-3.16201103" z3="10.30904343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51363415" y3="-4.08618403" z3="10.92214371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49199061" y3="-2.7354959" z3="10.38634418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.73817034" y3="-3.5669658" z3="8.85286711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.72030405" y3="-4.0691581" z3="8.75959564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.94606446" y3="-4.26889969" z3="8.53768799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.5764335" y3="-1.97387094" z3="7.52853101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.52251057" y3="-0.26883751" z3="6.03107154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.3812158" y3="-0.31763029" z3="6.66758714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.66675391" y3="0.80159453" z3="5.77113999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20929197" y3="-1.0469299" z3="4.73725972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.00726417" y3="-2.09524811" z3="5.01765972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71559802" y3="-0.64052156" z3="4.27917612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34736186" y3="-1.02268388" z3="3.71766274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50855821" y3="0.01819992" z3="3.36834734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27571966" y3="-1.32173831" z3="4.23589665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.15049278" y3="-1.93704436" z3="2.50456403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.07150117" y3="-1.92399162" z3="1.89062507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.033366" y3="-2.9791004" z3="2.858697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.03878447" y3="-1.5724524" z3="1.61627289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.03932771" y3="-0.52771515" z3="1.26147507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.99446641" y3="-1.6669514" z3="2.16033312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.09371111" y3="-2.22712673" z3="0.72717218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.53027211" y3="-2.5548489" z3="7.84450599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.70358444" y3="-0.76394062" z3="6.82022147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.71147025" y3="-0.49312797" z3="6.49372279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.79065658" y3="-2.47325869" z3="7.97652816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.38104347" y3="0.14566451" z3="11.72371676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.275378" y3="0.42089375" z3="12.79298442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.35434223" y3="0.53823144" z3="11.36786624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.42957487" y3="-0.9598165" z3="11.66156265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.77710939" y3="0.67767431" z3="10.88320126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.73090353" y3="0.28106629" z3="11.26390986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.8394935" y3="1.77543801" z3="10.9887711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66303569" y3="0.29855065" z3="9.40586888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49733887" y3="-0.78682181" z3="9.32666948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.23105598" y3="0.78120242" z3="8.95162796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.90821622" y3="0.71403426" z3="8.61431137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03479396" y3="0.62715165" z3="9.0986963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.71093071" y3="1.46688141" z3="7.81084102">
                           <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 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5352,-2.1616,10.8308;-3.4891,-1.2237,10.2476;-3.3475,-1.9191,11.8937;-4.5618,-2.5704,10.7541;-2.5078,-3.162,10.309;-2.5136,-4.0862,10.9221;-1.492,-2.7355,10.3863;-2.7382,-3.567,8.8529;-3.7203,-4.0692,8.7596;-1.9461,-4.2689,8.5377;-1.5764,-1.9739,7.5285;-.5225,-.2688,6.0311;.3812,-.3176,6.6676;-.6668,.8016,5.7711;-.2093,-1.0469,4.7373;.0073,-2.0952,5.0177;.7156,-.6405,4.2792;-1.3474,-1.0227,3.7177;-1.5086,.0182,3.3683;-2.2757,-1.3217,4.2359;-1.1505,-1.937,2.5046;-2.0715,-1.924,1.8906;-1.0334,-2.9791,2.8587;.0388,-1.5725,1.6163;-.0393,-.5277,1.2615;.9945,-1.667,2.1603;.0937,-2.2271,.7272;-.5303,-2.5548,7.8445;-1.7036,-.7639,6.8202;-2.7115,-.4931,6.4937;-2.7907,-2.4733,7.9765;.381,.1457,11.7237;.2754,.4209,12.793;1.3543,.5382,11.3679;.4296,-.9598,11.6616;-.7771,.6777,10.8832;-1.7309,.2811,11.2639;-.8395,1.7754,10.9888;-.663,.2986,9.4059;-.4973,-.7868,9.3267;.2311,.7812,8.9516;-1.9082,.714,8.6143;-3.0348,.6272,9.0987;-1.7109,1.4669,7.8108;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604114199675</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.013030149266 0.001533934993 0.023933083999 0.008702925969</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013634599 -0.003571929 0.000140183 0.000178057 0.000402817 0.000857341 0.001136529 0.001803292 0.002055820 0.002114557 0.002428019 0.002896254 0.003439181 0.003832472 0.004239831 0.005509364 0.006131952 0.007121315 0.008776935 0.010448326 0.012195859 0.014706225 0.018609760 0.019936864 0.021611413 0.023640219 0.025079546 0.029423844 0.030217882 0.031668630 0.032383915 0.033294859 0.034742537 0.037640769 0.040165521 0.044339735 0.046470848 0.046936588 0.051828809 0.052605181 0.053305528 0.054118749 0.057479336 0.057994211 0.059199057 0.064463514 0.067387531 0.067518821 0.071267154 0.076762634 0.077135687 0.079135442 0.079357786 0.081771496 0.082953110 0.084972795 0.089274929 0.099634142 0.100007281 0.106398017 0.108197441 0.109994255 0.112826386 0.115932537 0.130547358 0.135131617 0.135953639 0.139021586 0.145892974 0.149563017 0.155253429 0.162354534 0.164067904 0.169137727 0.172920868 0.179431466 0.184037887 0.191355010 0.196185211 0.205115094 0.213128347 0.222779545 0.232068593 0.253902927 0.258368708 0.290734233 0.309270000 0.343041224 0.383767285 0.414218132 0.429611487 0.475863821 0.538165224 0.548687232 0.588613048 0.607308203 0.646636853 0.662577671 0.734488950 0.750069699 0.751842612 0.757710985 0.772805360 0.778311747 0.782075044 0.796767201 0.802634218 0.803770982 0.815840148 0.818686374 0.819681752 0.846949067 0.852368663 0.867054776 0.874451975 0.878692952 0.890611363 0.897097389 0.910179453 0.918218168 0.918373611 0.933243709 0.944952234 0.978326802 1.454062868 1.548482334</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="-3.55067698" y3="-2.1634277" z3="10.82402771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.50762489" y3="-1.22474843" z3="10.24209953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37143867" y3="-1.9204206" z3="11.88783535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5730671" y3="-2.58083631" z3="10.74076566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51199847" y3="-3.1547607" z3="10.30795552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51150842" y3="-4.07811623" z3="10.92220068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50080086" y3="-2.71832673" z3="10.38916293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.73246733" y3="-3.56349832" z3="8.8517293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.70970242" y3="-4.07418512" z3="8.75487446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.9327948" y3="-4.25803479" z3="8.54020789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.57837122" y3="-1.96721377" z3="7.5254245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.53031099" y3="-0.2560398" z3="6.03138436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.37378958" y3="-0.29693815" z3="6.66794946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68092257" y3="0.81249508" z3="5.76748902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21287065" y3="-1.03780924" z3="4.74091659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.00809378" y3="-2.08395785" z3="5.02577862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71063493" y3="-0.62912837" z3="4.28219169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34996163" y3="-1.02243975" z3="3.72018023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51344638" y3="0.01593051" z3="3.36466263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27809744" y3="-1.32085369" z3="4.2390142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.14895071" y3="-1.94338455" z3="2.51278032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.06814868" y3="-1.9345928" z3="1.89620351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.0318113" y3="-2.98321022" z3="2.87302098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.04266273" y3="-1.58266253" z3="1.62620166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.03506666" y3="-0.53991736" z3="1.26598739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.99659692" y3="-1.67371575" z3="2.17373391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.10094376" y3="-2.24180734" z3="0.74069124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.53053119" y3="-2.54751595" z3="7.83557902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.70869412" y3="-0.7544802" z3="6.82288902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.71785353" y3="-0.48546067" z3="6.49828567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.79008034" y3="-2.47061025" z3="7.97479753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.39408564" y3="0.13496919" z3="11.71531522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.29194401" y3="0.40741069" z3="12.78142903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.36135067" y3="0.53014086" z3="11.35549715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.44705874" y3="-0.96739381" z3="11.64901637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.77049299" y3="0.66738062" z3="10.88341926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.72186478" y3="0.25935931" z3="11.2649667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84521309" y3="1.76986742" z3="11.00349224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.65698152" y3="0.30383801" z3="9.40170957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47860679" y3="-0.78776041" z3="9.30597684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.2296943" y3="0.78386784" z3="8.95067988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.90798616" y3="0.71349797" z3="8.61575068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0327904" y3="0.62290178" z3="9.10439878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.71408373" y3="1.47097544" z3="7.81470054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5507,-2.1634,10.824;-3.5076,-1.2247,10.2421;-3.3714,-1.9204,11.8878;-4.5731,-2.5808,10.7408;-2.512,-3.1548,10.308;-2.5115,-4.0781,10.9222;-1.5008,-2.7183,10.3892;-2.7325,-3.5635,8.8517;-3.7097,-4.0742,8.7549;-1.9328,-4.258,8.5402;-1.5784,-1.9672,7.5254;-.5303,-.256,6.0314;.3738,-.2969,6.6679;-.6809,.8125,5.7675;-.2129,-1.0378,4.7409;.0081,-2.084,5.0258;.7106,-.6291,4.2822;-1.35,-1.0224,3.7202;-1.5134,.0159,3.3647;-2.2781,-1.3209,4.239;-1.149,-1.9434,2.5128;-2.0681,-1.9346,1.8962;-1.0318,-2.9832,2.873;.0427,-1.5827,1.6262;-.0351,-.5399,1.266;.9966,-1.6737,2.1737;.1009,-2.2418,.7407;-.5305,-2.5475,7.8356;-1.7087,-.7545,6.8229;-2.7179,-.4855,6.4983;-2.7901,-2.4706,7.9748;.3941,.135,11.7153;.2919,.4074,12.7814;1.3614,.5301,11.3555;.4471,-.9674,11.649;-.7705,.6674,10.8834;-1.7219,.2594,11.265;-.8452,1.7699,11.0035;-.657,.3038,9.4017;-.4786,-.7878,9.306;.2297,.7839,8.9507;-1.908,.7135,8.6158;-3.0328,.6229,9.1044;-1.7141,1.471,7.8147;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604154453652</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007962882497 0.000992927288 0.021858248818 0.008702975827</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013676795 -0.002160614 0.000138977 0.000175552 0.000398976 0.000713074 0.001134842 0.001815434 0.002052902 0.002111928 0.002427137 0.002908154 0.003498805 0.003878750 0.004263081 0.005508862 0.006132906 0.007118890 0.008778747 0.010454972 0.012197158 0.014710346 0.018596924 0.019915956 0.021611785 0.023616940 0.025079988 0.029423447 0.030217456 0.031668372 0.032428531 0.033296512 0.034742190 0.037639543 0.040165532 0.044340477 0.046470372 0.046937158 0.051829154 0.052604501 0.053323433 0.054127653 0.057479013 0.057993746 0.059194056 0.064495603 0.067444492 0.067651613 0.071298784 0.076762877 0.077140993 0.079134855 0.079376619 0.081771450 0.084061317 0.086993810 0.089305814 0.099635659 0.100008207 0.106404805 0.108541512 0.110047030 0.112828899 0.115934938 0.130552898 0.135133848 0.136165140 0.139035624 0.145892282 0.149626860 0.155251319 0.162403977 0.164102986 0.169136482 0.172944957 0.179526801 0.184398289 0.191896348 0.196341985 0.205115673 0.213214133 0.222923554 0.232099965 0.253879248 0.258309733 0.290738412 0.309270977 0.343040216 0.383848539 0.414221579 0.429610031 0.475864991 0.538165789 0.548825613 0.588613241 0.607308127 0.646675989 0.662579600 0.734490350 0.751322870 0.752307781 0.757760880 0.772805301 0.778310762 0.782075216 0.796767277 0.802639237 0.803798649 0.816225719 0.818692291 0.819689308 0.846954637 0.852370266 0.867055194 0.874461929 0.879622804 0.890622813 0.897099336 0.910179487 0.918218496 0.918382721 0.933250954 0.951133794 0.978380380 1.454070178 1.548490502</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="-3.55998952" y3="-2.16400168" z3="10.82270147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52290602" y3="-1.22495552" z3="10.24113072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38405053" y3="-1.9194383" z3="11.886639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.57873012" y3="-2.59006322" z3="10.7382589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51247311" y3="-3.14650622" z3="10.30750742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50243949" y3="-4.06912766" z3="10.92320287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50537103" y3="-2.6998558" z3="10.38705551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.73043092" y3="-3.55938577" z3="8.85217866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.7038198" y3="-4.07747011" z3="8.75611381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.92529475" y3="-4.2477775" z3="8.54146997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.58653742" y3="-1.96132051" z3="7.52025853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.54340916" y3="-0.24443132" z3="6.03052378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.35961177" y3="-0.27669431" z3="6.66938291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70062681" y3="0.82205995" z3="5.7623431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21768129" y3="-1.02945361" z3="4.7445379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.00858654" y3="-2.0731234" z3="5.03483692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70468659" y3="-0.61720972" z3="4.28668376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35245471" y3="-1.02472311" z3="3.72095923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52042445" y3="0.01125879" z3="3.36004328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28036339" y3="-1.32557251" z3="4.23890387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.14305288" y3="-1.95035348" z3="2.51871822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.05918538" y3="-1.94673028" z3="1.89721437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02473089" y3="-2.98838617" z3="2.88422174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.05248109" y3="-1.58979804" z3="1.63745455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.02560474" y3="-0.54812653" z3="1.27365985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.00369583" y3="-1.67708135" z3="2.19068356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.11697624" y3="-2.2515689" z3="0.75434048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.53611563" y3="-2.54006969" z3="7.82498774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.72054812" y3="-0.74748009" z3="6.82087503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.73055784" y3="-0.47761833" z3="6.49991293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.79541332" y3="-2.46764808" z3="7.97391369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.404426" y3="0.11927807" z3="11.70553372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.30985123" y3="0.38555244" z3="12.77388379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.3707279" y3="0.52136536" z3="11.34383282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.457219" y3="-0.97975786" z3="11.63681931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.76336307" y3="0.65723199" z3="10.88162427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.71433565" y3="0.24115842" z3="11.26032664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83202298" y3="1.74973747" z3="11.00040238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.653764" y3="0.30362918" z3="9.39567104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47815343" y3="-0.77975936" z3="9.29734081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.2304874" y3="0.79643375" z3="8.94535942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.90950793" y3="0.71674863" z3="8.61854749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03093747" y3="0.62504278" z3="9.115357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.72281553" y3="1.4753789" z3="7.81696038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.56,-2.164,10.8227;-3.5229,-1.225,10.2411;-3.3841,-1.9194,11.8866;-4.5787,-2.5901,10.7383;-2.5125,-3.1465,10.3075;-2.5024,-4.0691,10.9232;-1.5054,-2.6999,10.3871;-2.7304,-3.5594,8.8522;-3.7038,-4.0775,8.7561;-1.9253,-4.2478,8.5415;-1.5865,-1.9613,7.5203;-.5434,-.2444,6.0305;.3596,-.2767,6.6694;-.7006,.8221,5.7623;-.2177,-1.0295,4.7445;.0086,-2.0731,5.0348;.7047,-.6172,4.2867;-1.3525,-1.0247,3.721;-1.5204,.0113,3.36;-2.2804,-1.3256,4.2389;-1.1431,-1.9504,2.5187;-2.0592,-1.9467,1.8972;-1.0247,-2.9884,2.8842;.0525,-1.5898,1.6375;-.0256,-.5481,1.2737;1.0037,-1.6771,2.1907;.117,-2.2516,.7543;-.5361,-2.5401,7.825;-1.7205,-.7475,6.8209;-2.7306,-.4776,6.4999;-2.7954,-2.4676,7.9739;.4044,.1193,11.7055;.3099,.3856,12.7739;1.3707,.5214,11.3438;.4572,-.9798,11.6368;-.7634,.6572,10.8816;-1.7143,.2412,11.2603;-.832,1.7497,11.0004;-.6538,.3036,9.3957;-.4782,-.7798,9.2973;.2305,.7964,8.9454;-1.9095,.7167,8.6185;-3.0309,.625,9.1154;-1.7228,1.4754,7.817;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604133946439</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007767087603 0.001334603171 0.033336275881 0.008703335619</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013732650 -0.004784393 0.000118700 0.000161885 0.000396053 0.000894660 0.001135473 0.001809601 0.002051377 0.002111459 0.002428351 0.002916743 0.003558977 0.003974397 0.004319888 0.005508497 0.006134968 0.007120093 0.008780067 0.010481055 0.012207204 0.014710175 0.018685471 0.020063323 0.021612171 0.023791247 0.025085666 0.029424195 0.030220803 0.031668553 0.032607534 0.033324110 0.034742169 0.037654852 0.040165280 0.044344924 0.046470010 0.046937883 0.051828655 0.052603865 0.053321344 0.054133141 0.057487280 0.057992619 0.059196113 0.064536442 0.067462000 0.067797645 0.071328154 0.076764348 0.077139979 0.079139140 0.079420564 0.081775539 0.084215898 0.089115848 0.091544692 0.099637432 0.100008084 0.106411363 0.109144327 0.110367602 0.112842604 0.115934217 0.130555041 0.135138110 0.136713575 0.139152096 0.145954413 0.149639053 0.155273492 0.162432648 0.164911539 0.169139249 0.172941001 0.179559632 0.184522275 0.192170167 0.196481211 0.205135782 0.213208909 0.222902737 0.232097598 0.253865798 0.258295782 0.290739677 0.309274225 0.343041171 0.384046468 0.414234155 0.429608975 0.475872194 0.538169020 0.548889147 0.588613731 0.607308319 0.646870512 0.662585653 0.734489359 0.751575498 0.753690320 0.757936857 0.772805327 0.778315118 0.782077126 0.796767406 0.802647174 0.804056056 0.816482984 0.818701588 0.819692903 0.846957010 0.852370281 0.867056529 0.874474007 0.882902251 0.890638022 0.897102029 0.910179353 0.918332610 0.918875132 0.933250476 0.954288420 0.978380239 1.454125032 1.548494401</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="-3.56363794" y3="-2.16487904" z3="10.82377139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53176246" y3="-1.22553843" z3="10.24249651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38568976" y3="-1.92027959" z3="11.88720343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58036867" y3="-2.59541956" z3="10.74235554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51370451" y3="-3.14189679" z3="10.30494415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49705266" y3="-4.06383181" z3="10.92082617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50890112" y3="-2.69086518" z3="10.38054936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.73437686" y3="-3.55606339" z3="8.85054446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.70649666" y3="-4.07617909" z3="8.75739724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.92875484" y3="-4.24226962" z3="8.53789284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.59679021" y3="-1.95594113" z3="7.51738027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.55598621" y3="-0.23440546" z3="6.03222873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.34611453" y3="-0.25941756" z3="6.67259355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71752574" y3="0.82994509" z3="5.75893031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22429568" y3="-1.02443541" z3="4.75115589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.00397061" y3="-2.06578174" z3="5.04722989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69833512" y3="-0.61173799" z3="4.29455892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35513065" y3="-1.02750212" z3="3.72366854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52571502" y3="0.0065177" z3="3.35900023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28396329" y3="-1.33033951" z3="4.23886243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.13647512" y3="-1.95575374" z3="2.5250748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.04855537" y3="-1.9554605" z3="1.8978207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01837077" y3="-2.99247523" z3="2.89375153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.06419485" y3="-1.59480186" z3="1.65071134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.01248492" y3="-0.55363573" z3="1.28578203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.01187433" y3="-1.68067267" z3="2.20988145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.1349978" y3="-2.2571796" z3="0.76855751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.54477987" y3="-2.53479993" z3="7.81734704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.73244422" y3="-0.73830821" z3="6.82361542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.74276191" y3="-0.46862007" z3="6.5032469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.80363965" y3="-2.46503074" z3="7.97164278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41724997" y3="0.1130188" z3="11.69198982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.31716426" y3="0.3655999" z3="12.76791731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38017916" y3="0.52094413" z3="11.33357405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.47999629" y3="-0.99268325" z3="11.60348304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75589844" y3="0.64599945" z3="10.87356484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69953996" y3="0.23046446" z3="11.25626296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84063671" y3="1.75108433" z3="11.01525403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.65119746" y3="0.30538478" z3="9.3886253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45991551" y3="-0.7827373" z3="9.27608767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.22678591" y3="0.804542" z3="8.93813596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9126204" y3="0.71462491" z3="8.61723951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03186169" y3="0.62167396" z3="9.11854503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.72789031" y3="1.47853006" z3="7.82067198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5636,-2.1649,10.8238;-3.5318,-1.2255,10.2425;-3.3857,-1.9203,11.8872;-4.5804,-2.5954,10.7424;-2.5137,-3.1419,10.3049;-2.4971,-4.0638,10.9208;-1.5089,-2.6909,10.3805;-2.7344,-3.5561,8.8505;-3.7065,-4.0762,8.7574;-1.9288,-4.2423,8.5379;-1.5968,-1.9559,7.5174;-.556,-.2344,6.0322;.3461,-.2594,6.6726;-.7175,.8299,5.7589;-.2243,-1.0244,4.7512;.004,-2.0658,5.0472;.6983,-.6117,4.2946;-1.3551,-1.0275,3.7237;-1.5257,.0065,3.359;-2.284,-1.3303,4.2389;-1.1365,-1.9558,2.5251;-2.0486,-1.9555,1.8978;-1.0184,-2.9925,2.8938;.0642,-1.5948,1.6507;-.0125,-.5536,1.2858;1.0119,-1.6807,2.2099;.135,-2.2572,.7686;-.5448,-2.5348,7.8173;-1.7324,-.7383,6.8236;-2.7428,-.4686,6.5032;-2.8036,-2.465,7.9716;.4172,.113,11.692;.3172,.3656,12.7679;1.3802,.5209,11.3336;.48,-.9927,11.6035;-.7559,.646,10.8736;-1.6995,.2305,11.2563;-.8406,1.7511,11.0153;-.6512,.3054,9.3886;-.4599,-.7827,9.2761;.2268,.8045,8.9381;-1.9126,.7146,8.6172;-3.0319,.6217,9.1185;-1.7279,1.4785,7.8207;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604079534188</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011081483238 0.002045254041 0.026627225649 0.008703223070</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.014042603 -0.006982928 0.000122397 0.000162368 0.000394281 0.000824418 0.001134735 0.001808084 0.002053271 0.002111494 0.002431360 0.002918155 0.003558325 0.003974914 0.004319566 0.005508495 0.006135762 0.007120549 0.008781081 0.010475987 0.012205145 0.014720895 0.018779460 0.020458309 0.021616648 0.024279335 0.025172484 0.029423515 0.030218046 0.031667986 0.032825272 0.033414378 0.034742630 0.037684008 0.040165132 0.044365424 0.046470124 0.046940862 0.051828810 0.052602843 0.053359276 0.054132531 0.057533945 0.058003015 0.059195823 0.064593479 0.067465332 0.067969200 0.071337701 0.076769909 0.077139072 0.079137494 0.079421999 0.081776496 0.084290390 0.089215955 0.096243310 0.099643533 0.100013624 0.106424097 0.109613400 0.111966505 0.112953146 0.115940692 0.130558115 0.135141345 0.137889084 0.139744000 0.146172561 0.149882635 0.155287665 0.162444466 0.167517690 0.169218970 0.172939372 0.179593239 0.184592519 0.192480917 0.196725683 0.205345810 0.213253239 0.222935808 0.232117105 0.253855718 0.258392968 0.290742784 0.309296066 0.343040603 0.385918832 0.414313190 0.429614265 0.475889153 0.538242609 0.549909289 0.588613735 0.607308667 0.647057782 0.662585713 0.734490338 0.751643673 0.755919422 0.758628490 0.772805548 0.778319053 0.782076709 0.796767277 0.802659849 0.805485926 0.817019372 0.818726261 0.819698275 0.846956156 0.852370588 0.867056713 0.874500511 0.889969467 0.891173636 0.897203706 0.910181156 0.918332386 0.921628052 0.933251264 0.959651177 0.978392891 1.454186278 1.548494044</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="-3.56374755" y3="-2.16361358" z3="10.82831169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53700039" y3="-1.22424036" z3="10.2469693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38079078" y3="-1.91827419" z3="11.89088738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.57965174" y3="-2.59729011" z3="10.75221446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51327829" y3="-3.13753611" z3="10.30426001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49022739" y3="-4.05901325" z3="10.92061252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50962547" y3="-2.6825926" z3="10.37408082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.73998532" y3="-3.5528396" z3="8.85101453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.71212791" y3="-4.07392181" z3="8.76185172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.93481134" y3="-4.23865394" z3="8.53547445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.60798455" y3="-1.95118912" z3="7.51586756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5695087" y3="-0.2280933" z3="6.03143724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.33106586" y3="-0.24623324" z3="6.67415962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.7357644" y3="0.83441234" z3="5.75385552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22980862" y3="-1.02097754" z3="4.7546038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.0013607" y3="-2.06034431" z3="5.05543041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69302642" y3="-0.60606503" z3="4.30035009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3563668" y3="-1.03169916" z3="3.72262859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53031182" y3="0.00075323" z3="3.35504719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28593428" y3="-1.33793701" z3="4.23462611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.12765229" y3="-1.96095701" z3="2.52675578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.03551853" y3="-1.96362313" z3="1.89341438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00943284" y3="-2.99691707" z3="2.89749469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.07815878" y3="-1.59803259" z3="1.66020237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.0027848" y3="-0.55663591" z3="1.29556399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.02232225" y3="-1.68323683" z3="2.22535713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.15542386" y3="-2.25956666" z3="0.77802338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.55465372" y3="-2.52847897" z3="7.81445824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.74550543" y3="-0.73496441" z3="6.82145218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7563773" y3="-0.46453949" z3="6.50347053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.81345137" y3="-2.46213433" z3="7.9721652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.42728049" y3="0.0962934" z3="11.68026886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.33769893" y3="0.34561728" z3="12.75051405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38721704" y3="0.51711529" z3="11.31761636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.49170586" y3="-1.00041991" z3="11.59259637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75404873" y3="0.63926308" z3="10.87772817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69879019" y3="0.20383724" z3="11.25738121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.8343743" y3="1.72726924" z3="11.01361413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.64935124" y3="0.31298088" z3="9.38270237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4557118" y3="-0.76842545" z3="9.26086019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.22510561" y3="0.82784308" z3="8.93544299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.91665153" y3="0.72173768" z3="8.62085578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03206956" y3="0.62718751" z3="9.13126401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.74099822" y3="1.48352309" z3="7.81948747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5637,-2.1636,10.8283;-3.537,-1.2242,10.247;-3.3808,-1.9183,11.8909;-4.5797,-2.5973,10.7522;-2.5133,-3.1375,10.3043;-2.4902,-4.059,10.9206;-1.5096,-2.6826,10.3741;-2.74,-3.5528,8.851;-3.7121,-4.0739,8.7619;-1.9348,-4.2387,8.5355;-1.608,-1.9512,7.5159;-.5695,-.2281,6.0314;.3311,-.2462,6.6742;-.7358,.8344,5.7539;-.2298,-1.021,4.7546;.0014,-2.0603,5.0554;.693,-.6061,4.3004;-1.3564,-1.0317,3.7226;-1.5303,.0008,3.355;-2.2859,-1.3379,4.2346;-1.1277,-1.961,2.5268;-2.0355,-1.9636,1.8934;-1.0094,-2.9969,2.8975;.0782,-1.598,1.6602;.0028,-.5566,1.2956;1.0223,-1.6832,2.2254;.1554,-2.2596,.778;-.5547,-2.5285,7.8145;-1.7455,-.735,6.8215;-2.7564,-.4645,6.5035;-2.8135,-2.4621,7.9722;.4273,.0963,11.6803;.3377,.3456,12.7505;1.3872,.5171,11.3176;.4917,-1.0004,11.5926;-.754,.6393,10.8777;-1.6988,.2038,11.2574;-.8344,1.7273,11.0136;-.6494,.313,9.3827;-.4557,-.7684,9.2609;.2251,.8278,8.9354;-1.9167,.7217,8.6209;-3.0321,.6272,9.1313;-1.741,1.4835,7.8195;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604112778291</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011212955583 0.001930375386 0.025448007414 0.008703104249</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.014840169 -0.005124525 0.000132433 0.000166334 0.000393064 0.000810809 0.001134437 0.001813111 0.002053872 0.002113284 0.002431712 0.002917856 0.003577175 0.004035079 0.004357127 0.005509011 0.006135963 0.007121401 0.008780831 0.010475294 0.012207503 0.014733005 0.018805115 0.020529015 0.021614941 0.024391509 0.025216898 0.029423266 0.030216338 0.031668080 0.032886419 0.033494228 0.034746266 0.037677674 0.040165004 0.044366435 0.046470223 0.046940306 0.051828659 0.052602103 0.053503766 0.054138848 0.057759635 0.058092423 0.059209801 0.064623039 0.067467258 0.068073087 0.071359187 0.076768362 0.077140288 0.079140697 0.079421184 0.081776823 0.084324281 0.089240764 0.097565993 0.099647828 0.100024626 0.106425002 0.109713731 0.112733399 0.114266894 0.115967356 0.130559626 0.135143079 0.138243503 0.140558042 0.146446457 0.150584366 0.155325261 0.162443866 0.168806047 0.169937479 0.172936980 0.179615943 0.184617750 0.192682424 0.197065171 0.205814261 0.213941431 0.223736895 0.232368325 0.253857000 0.258613460 0.290745713 0.309331140 0.343039864 0.388270671 0.414417098 0.429618392 0.475900276 0.538281541 0.550893901 0.588613812 0.607308616 0.649086783 0.662585990 0.734491256 0.751662369 0.756913538 0.760440815 0.772805491 0.778318405 0.782076518 0.796767396 0.802665101 0.807299245 0.817303951 0.818746521 0.819706718 0.846955634 0.852371901 0.867057104 0.874530862 0.890481493 0.894879711 0.897425925 0.910185035 0.918332738 0.927837338 0.933266717 0.966339827 0.978407535 1.454284520 1.548498309</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="-3.56201733" y3="-2.16338499" z3="10.83371139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54130687" y3="-1.22340068" z3="10.25277743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37279133" y3="-1.91805981" z3="11.89529663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.57729264" y3="-2.60025155" z3="10.76387028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5116485" y3="-3.13380962" z3="10.30228182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.48114788" y3="-4.05590121" z3="10.91769401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50886748" y3="-2.67550216" z3="10.36602877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.74618214" y3="-3.54865239" z3="8.8502068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.71942443" y3="-4.06826305" z3="8.76549818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.94364812" y3="-4.2352768" z3="8.53011132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.61935123" y3="-1.94537745" z3="7.51291808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58327324" y3="-0.21737346" z3="6.03301107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31693308" y3="-0.2265498" z3="6.67683346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.75472261" y3="0.8426024" z3="5.74909348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23704326" y3="-1.01639127" z3="4.76200522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.00410009" y3="-2.05343477" z3="5.06959384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.68647915" y3="-0.60120986" z3="4.3095629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35880566" y3="-1.03552158" z3="3.72491852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53626897" y3="-0.00483071" z3="3.35376864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2894893" y3="-1.34528126" z3="4.23285953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11867692" y3="-1.9663654" z3="2.53238987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.02219561" y3="-1.97342786" z3="1.8925706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99914535" y3="-3.00137731" z3="2.90592723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.09203158" y3="-1.60050105" z3="1.67372537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.01686053" y3="-0.55894791" z3="1.30873344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.03294183" y3="-1.68387283" z3="2.24494841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.17626154" y3="-2.26179829" z3="0.7918915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.56507994" y3="-2.52446043" z3="7.80369129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75816422" y3="-0.72457103" z3="6.82502487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76942222" y3="-0.45515317" z3="6.5074165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.82268223" y3="-2.4572423" z3="7.9721383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43709521" y3="0.09082626" z3="11.66555191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.34720239" y3="0.32683832" z3="12.74539661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39251997" y3="0.50512216" z3="11.3055576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.50294804" y3="-1.00801907" z3="11.56714837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74564236" y3="0.62608325" z3="10.86401991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.68441408" y3="0.19482435" z3="11.24465848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83576322" y3="1.72516587" z3="11.02200226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.64830285" y3="0.3115074" z3="9.37278154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45039508" y3="-0.76646518" z3="9.24675766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.21994604" y3="0.8287376" z3="8.9259966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.92050226" y3="0.71855891" z3="8.61685294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03302913" y3="0.62229769" z3="9.13383636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.74878461" y3="1.48749734" z3="7.82131387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.562,-2.1634,10.8337;-3.5413,-1.2234,10.2528;-3.3728,-1.9181,11.8953;-4.5773,-2.6003,10.7639;-2.5116,-3.1338,10.3023;-2.4811,-4.0559,10.9177;-1.5089,-2.6755,10.366;-2.7462,-3.5487,8.8502;-3.7194,-4.0683,8.7655;-1.9436,-4.2353,8.5301;-1.6194,-1.9454,7.5129;-.5833,-.2174,6.033;.3169,-.2265,6.6768;-.7547,.8426,5.7491;-.237,-1.0164,4.762;-.0041,-2.0534,5.0696;.6865,-.6012,4.3096;-1.3588,-1.0355,3.7249;-1.5363,-.0048,3.3538;-2.2895,-1.3453,4.2329;-1.1187,-1.9664,2.5324;-2.0222,-1.9734,1.8926;-.9991,-3.0014,2.9059;.092,-1.6005,1.6737;.0169,-.5589,1.3087;1.0329,-1.6839,2.2449;.1763,-2.2618,.7919;-.5651,-2.5245,7.8037;-1.7582,-.7246,6.825;-2.7694,-.4552,6.5074;-2.8227,-2.4572,7.9721;.4371,.0908,11.6656;.3472,.3268,12.7454;1.3925,.5051,11.3056;.5029,-1.008,11.5671;-.7456,.6261,10.864;-1.6844,.1948,11.2447;-.8358,1.7252,11.022;-.6483,.3115,9.3728;-.4504,-.7665,9.2468;.2199,.8287,8.926;-1.9205,.7186,8.6169;-3.033,.6223,9.1338;-1.7488,1.4875,7.8213;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604155275279</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007904939966 0.001560052697 0.026381482997 0.008704606658</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.014888300 -0.004514670 0.000113539 0.000158888 0.000410248 0.000950784 0.001139337 0.001813449 0.002054310 0.002112864 0.002442909 0.002933203 0.003601992 0.004133196 0.004579966 0.005509858 0.006140307 0.007125131 0.008797898 0.010498546 0.012212123 0.014732012 0.018806073 0.020554195 0.021616717 0.024411797 0.025221004 0.029423132 0.030215339 0.031668411 0.032911785 0.033549253 0.034760175 0.037759478 0.040165074 0.044366417 0.046470194 0.046940162 0.051833134 0.052601168 0.053628108 0.054165352 0.057922476 0.058967561 0.059354704 0.064656784 0.067467693 0.068134585 0.071379246 0.076767435 0.077147256 0.079142955 0.079451298 0.081781653 0.084587170 0.089329978 0.097559974 0.099647456 0.100033187 0.106424841 0.109762491 0.112776053 0.115291367 0.116072247 0.130560413 0.135143321 0.138295585 0.140709643 0.146535351 0.151312586 0.155400772 0.162473221 0.168834703 0.170118897 0.172937735 0.179621667 0.184618243 0.192678994 0.197068066 0.205938467 0.214487420 0.224703069 0.233391080 0.253902867 0.259274215 0.290749389 0.309366845 0.343041013 0.389470675 0.414501912 0.429618815 0.475899550 0.538286820 0.550881640 0.588614147 0.607308872 0.653947055 0.662590385 0.734497205 0.751664067 0.757088995 0.761734759 0.772806730 0.778319310 0.782077402 0.796767320 0.802665952 0.809315129 0.817614458 0.818783377 0.819728156 0.846956050 0.852372939 0.867057473 0.874531417 0.890485016 0.895246474 0.897522853 0.910185596 0.918341927 0.932954574 0.934012986 0.970348789 0.978489644 1.454292250 1.548498548</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="-3.55594122" y3="-2.16258826" z3="10.84105027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53876506" y3="-1.22230138" z3="10.26062744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.35746197" y3="-1.91887791" z3="11.90122894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.57201238" y3="-2.59797749" z3="10.77977123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51151679" y3="-3.13309152" z3="10.29983208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.47883041" y3="-4.05614111" z3="10.91271204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50786318" y3="-2.6775441" z3="10.35757308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.75652793" y3="-3.5444226" z3="8.84854668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.73268794" y3="-4.05902739" z3="8.76903286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.95949973" y3="-4.23454411" z3="8.52248424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63113429" y3="-1.94116119" z3="7.51115638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59404923" y3="-0.21067053" z3="6.0347838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30520125" y3="-0.21398882" z3="6.67938617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.76823787" y3="0.84716125" z3="5.74592718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24288896" y3="-1.01441888" z3="4.76846641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.00930528" y3="-2.04965291" z3="5.08075334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.6816979" y3="-0.59950951" z3="4.31808235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35979607" y3="-1.03937331" z3="3.72661919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53915901" y3="-0.01006833" z3="3.35307169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29192437" y3="-1.35177206" z3="4.23041005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10994801" y3="-1.97075583" z3="2.5363835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00934161" y3="-1.98060435" z3="1.89115559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99006609" y3="-3.00506398" z3="2.91118684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.10506257" y3="-1.60250292" z3="1.68467409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.03100604" y3="-0.56068037" z3="1.32084919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04281157" y3="-1.68578791" z3="2.26061914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19483502" y3="-2.26244437" z3="0.80245268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.57701306" y3="-2.52280911" z3="7.79656346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76869691" y3="-0.71591015" z3="6.82919726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77964464" y3="-0.44686682" z3="6.51018856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.83337359" y3="-2.45155256" z3="7.97187576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.44269108" y3="0.07915146" z3="11.65488275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.35502032" y3="0.30882827" z3="12.73042468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39783861" y3="0.52011082" z3="11.29448153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.52235613" y3="-1.02110247" z3="11.54076688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74664244" y3="0.62140207" z3="10.86383464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6836707" y3="0.17954861" z3="11.24288384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83563324" y3="1.70954841" z3="11.0188776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.64792928" y3="0.31718743" z3="9.36693216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4332279" y3="-0.7632782" z3="9.22555265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.2168865" y3="0.85013631" z3="8.92341111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.92570688" y3="0.71578714" z3="8.61403439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03604585" y3="0.61634514" z3="9.13737258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.75922689" y3="1.49067088" z3="7.82225653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5559,-2.1626,10.8411;-3.5388,-1.2223,10.2606;-3.3575,-1.9189,11.9012;-4.572,-2.598,10.7798;-2.5115,-3.1331,10.2998;-2.4788,-4.0561,10.9127;-1.5079,-2.6775,10.3576;-2.7565,-3.5444,8.8485;-3.7327,-4.059,8.769;-1.9595,-4.2345,8.5225;-1.6311,-1.9412,7.5112;-.594,-.2107,6.0348;.3052,-.214,6.6794;-.7682,.8472,5.7459;-.2429,-1.0144,4.7685;-.0093,-2.0497,5.0808;.6817,-.5995,4.3181;-1.3598,-1.0394,3.7266;-1.5392,-.0101,3.3531;-2.2919,-1.3518,4.2304;-1.1099,-1.9708,2.5364;-2.0093,-1.9806,1.8912;-.9901,-3.0051,2.9112;.1051,-1.6025,1.6847;.031,-.5607,1.3208;1.0428,-1.6858,2.2606;.1948,-2.2624,.8025;-.577,-2.5228,7.7966;-1.7687,-.7159,6.8292;-2.7796,-.4469,6.5102;-2.8334,-2.4516,7.9719;.4427,.0792,11.6549;.355,.3088,12.7304;1.3978,.5201,11.2945;.5224,-1.0211,11.5408;-.7466,.6214,10.8638;-1.6837,.1795,11.2429;-.8356,1.7095,11.0189;-.6479,.3172,9.3669;-.4332,-.7633,9.2256;.2169,.8501,8.9234;-1.9257,.7158,8.614;-3.036,.6163,9.1374;-1.7592,1.4907,7.8223;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604161212537</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009369457740 0.001569208838 0.025715472806 0.008703776371</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.015545994 -0.004445381 0.000122073 0.000158898 0.000410776 0.000913894 0.001137534 0.001813326 0.002054286 0.002113531 0.002440161 0.002928286 0.003600424 0.004130660 0.004553459 0.005509871 0.006140952 0.007128256 0.008808835 0.010498059 0.012211508 0.014750301 0.018852038 0.020821543 0.021632817 0.024647778 0.025479693 0.029424568 0.030230325 0.031669019 0.032987028 0.033691788 0.034793621 0.037932000 0.040165810 0.044371882 0.046470217 0.046941504 0.051840030 0.052600577 0.053670905 0.054188884 0.057945920 0.059159219 0.061262588 0.064688382 0.067473497 0.068193818 0.071433957 0.076771114 0.077160445 0.079143445 0.079482314 0.081793930 0.085187271 0.089461811 0.097875916 0.099652312 0.100034033 0.106432567 0.109800728 0.112797474 0.115787410 0.116988766 0.130560247 0.135143535 0.138297634 0.140706936 0.146550719 0.151923574 0.155702915 0.162642171 0.168865294 0.170124008 0.172940096 0.179622950 0.184648868 0.192762253 0.197110326 0.205933410 0.214693948 0.225485797 0.234545477 0.253899760 0.260495357 0.290762997 0.309382916 0.343048000 0.389727415 0.414515961 0.429621708 0.475899429 0.538298745 0.551465755 0.588615361 0.607308840 0.660699628 0.662599870 0.734507195 0.751671111 0.757212892 0.762835993 0.772806612 0.778323049 0.782077012 0.796768328 0.802668446 0.811293899 0.818229391 0.819000202 0.819823494 0.846959652 0.852373559 0.867058542 0.874617829 0.890502952 0.895548261 0.897629555 0.910185667 0.918348416 0.933167077 0.938193597 0.971364237 0.978513219 1.454291500 1.548498533</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="-3.54684684" y3="-2.1605279" z3="10.85144239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53329572" y3="-1.21994504" z3="10.27153196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.33696604" y3="-1.91762158" z3="11.90977821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.56475778" y3="-2.5934908" z3="10.80016109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50975366" y3="-3.13342691" z3="10.29937131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.47468399" y3="-4.05806465" z3="10.91032535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.5039787" y3="-2.68053285" z3="10.34903756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.76792139" y3="-3.54078045" z3="8.84906148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.7476383" y3="-4.05017213" z3="8.77541002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.97676547" y3="-4.23521821" z3="8.51650578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64271869" y3="-1.93719528" z3="7.51202639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.6048204" y3="-0.20914832" z3="6.03285591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29230487" y3="-0.20780094" z3="6.68062709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.78169294" y3="0.84748677" z3="5.74096769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24558356" y3="-1.01391302" z3="4.76958614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.00962106" y3="-2.0479148" z3="5.08451098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67942125" y3="-0.59630164" z3="4.32230238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35842957" y3="-1.04418382" z3="3.72353332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.54057669" y3="-0.01577241" z3="3.34857981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29115039" y3="-1.36019515" z3="4.2240787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09992256" y3="-1.97494993" z3="2.53479628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99587125" y3="-1.98732157" z3="1.88478615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.97909279" y3="-3.00894164" z3="2.91034158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11867424" y3="-1.60326939" z3="1.68980152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.04480413" y3="-0.56076182" z3="1.32759585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05370922" y3="-1.68608923" z3="2.2704103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21393722" y3="-2.26139158" z3="0.80675413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.58828656" y3="-2.51754611" z3="7.80058244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78053009" y3="-0.71651936" z3="6.82374519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79149603" y3="-0.4451072" z3="6.50697925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8453736" y3="-2.44625143" z3="7.97476423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.45372356" y3="0.07345997" z3="11.63964943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.36684382" y3="0.28811721" z3="12.72649441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40256135" y3="0.50546475" z3="11.2806874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.52774808" y3="-1.01905304" z3="11.5268344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74316819" y3="0.61160726" z3="10.85978631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.67571912" y3="0.15383314" z3="11.23977395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84881398" y3="1.70575175" z3="11.03642256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.64855372" y3="0.32538747" z3="9.36017752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.43218766" y3="-0.74755321" z3="9.21453639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.20870432" y3="0.86980334" z3="8.91670837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.93254888" y3="0.72547793" z3="8.61819145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03881784" y3="0.62457428" z3="9.14815522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.77321038" y3="1.49538487" z3="7.82270497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5468,-2.1605,10.8514;-3.5333,-1.2199,10.2715;-3.337,-1.9176,11.9098;-4.5648,-2.5935,10.8002;-2.5098,-3.1334,10.2994;-2.4747,-4.0581,10.9103;-1.504,-2.6805,10.349;-2.7679,-3.5408,8.8491;-3.7476,-4.0502,8.7754;-1.9768,-4.2352,8.5165;-1.6427,-1.9372,7.512;-.6048,-.2091,6.0329;.2923,-.2078,6.6806;-.7817,.8475,5.741;-.2456,-1.0139,4.7696;-.0096,-2.0479,5.0845;.6794,-.5963,4.3223;-1.3584,-1.0442,3.7235;-1.5406,-.0158,3.3486;-2.2912,-1.3602,4.2241;-1.0999,-1.9749,2.5348;-1.9959,-1.9873,1.8848;-.9791,-3.0089,2.9103;.1187,-1.6033,1.6898;.0448,-.5608,1.3276;1.0537,-1.6861,2.2704;.2139,-2.2614,.8068;-.5883,-2.5175,7.8006;-1.7805,-.7165,6.8237;-2.7915,-.4451,6.507;-2.8454,-2.4463,7.9748;.4537,.0735,11.6396;.3668,.2881,12.7265;1.4026,.5055,11.2807;.5277,-1.0191,11.5268;-.7432,.6116,10.8598;-1.6757,.1538,11.2398;-.8488,1.7058,11.0364;-.6486,.3254,9.3602;-.4322,-.7476,9.2145;.2087,.8698,8.9167;-1.9325,.7255,8.6182;-3.0388,.6246,9.1482;-1.7732,1.4954,7.8227;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604162384914</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011053507466 0.001640498685 0.023307627362 0.008704265176</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.018257855 -0.004103760 0.000143857 0.000194592 0.000410819 0.000951462 0.001139901 0.001816966 0.002055325 0.002115495 0.002445899 0.002925820 0.003601577 0.004165120 0.004791000 0.005510277 0.006142723 0.007133424 0.008818369 0.010507549 0.012220485 0.014793955 0.018879158 0.021007258 0.021646545 0.024703136 0.025652723 0.029431574 0.030260992 0.031674561 0.033115106 0.034156082 0.034901146 0.038019832 0.040165787 0.044380177 0.046470253 0.046942053 0.051842601 0.052599721 0.053720022 0.054216590 0.057950526 0.059172548 0.062228768 0.064722898 0.067479362 0.068280155 0.071512232 0.076770151 0.077179030 0.079144489 0.079563329 0.081793879 0.085786243 0.089596742 0.098890530 0.099681555 0.100034955 0.106450416 0.109834106 0.112809633 0.115871456 0.120769956 0.130560206 0.135145321 0.138419378 0.140988577 0.146551778 0.152225564 0.156408340 0.163348947 0.168917879 0.170179761 0.172956381 0.179628889 0.184653402 0.192988644 0.197455624 0.205986588 0.214676635 0.225508584 0.235230962 0.253905791 0.260312922 0.290767191 0.309384234 0.343047366 0.389903984 0.414522898 0.429624228 0.475899571 0.538312389 0.552334888 0.588616174 0.607311263 0.662596986 0.663909412 0.734513506 0.751674914 0.757296485 0.764213978 0.772806529 0.778323057 0.782077352 0.796768218 0.802669183 0.812394850 0.818604996 0.819612772 0.825464812 0.846959911 0.852373910 0.867063956 0.875350173 0.890522591 0.895925182 0.897795389 0.910185535 0.918351109 0.933191922 0.941292723 0.971515764 0.978519720 1.454345810 1.548498628</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="-3.5359594" y3="-2.16029997" z3="10.8605015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52737415" y3="-1.2185682" z3="10.2815535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.31365841" y3="-1.9195005" z3="11.91682057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.55535214" y3="-2.59176453" z3="10.82007641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50664321" y3="-3.1344062" z3="10.29545364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.46862813" y3="-4.06189026" z3="10.90229427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49874395" y3="-2.68508885" z3="10.33743121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.7793249" y3="-3.53537741" z3="8.84611364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.76349028" y3="-4.03637317" z3="8.77836135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.99678218" y3="-4.2351137" z3="8.50506063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65367128" y3="-1.93059049" z3="7.51118419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.61383421" y3="-0.19969114" z3="6.03655389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.28308615" y3="-0.19214721" z3="6.6849029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.79289729" y3="0.85493869" z3="5.7385512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25116008" y3="-1.01111311" z3="4.77843789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0151319" y3="-2.04332716" z3="5.09946826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67485077" y3="-0.59479251" z3="4.33248627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35929305" y3="-1.04761227" z3="3.72743063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5438705" y3="-0.02048904" z3="3.34984281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29334988" y3="-1.36644328" z3="4.22358857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09084166" y3="-1.97918408" z3="2.54114241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98360498" y3="-1.99618735" z3="1.88648979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.96731349" y3="-3.01240664" z3="2.9185672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13037997" y3="-1.60342835" z3="1.70153929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05469342" y3="-0.56095937" z3="1.33872142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06345909" y3="-1.68326557" z3="2.28615317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.23143321" y3="-2.26147545" z3="0.81892263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.59997681" y3="-2.51519799" z3="7.7923057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78946364" y3="-0.70357806" z3="6.83077825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.80001018" y3="-0.43424569" z3="6.51057717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.85539206" y3="-2.4376284" z3="7.97519915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.45308572" y3="0.06647111" z3="11.63308198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.37381315" y3="0.28553242" z3="12.70695005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39955287" y3="0.50885018" z3="11.27065381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.54109406" y3="-1.0328726" z3="11.50424881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74401845" y3="0.6049287" z3="10.8533544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6736262" y3="0.15418696" z3="11.22967216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84164421" y3="1.69030605" z3="11.02569812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.65107224" y3="0.3230971" z3="9.35250941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.43176724" y3="-0.74798664" z3="9.20219797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.20343776" y3="0.86644187" z3="8.91313143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.93658474" y3="0.71707616" z3="8.609906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.04190954" y3="0.61208405" z3="9.14371536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78085755" y3="1.49847921" z3="7.82074383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.536,-2.1603,10.8605;-3.5274,-1.2186,10.2816;-3.3137,-1.9195,11.9168;-4.5554,-2.5918,10.8201;-2.5066,-3.1344,10.2955;-2.4686,-4.0619,10.9023;-1.4987,-2.6851,10.3374;-2.7793,-3.5354,8.8461;-3.7635,-4.0364,8.7784;-1.9968,-4.2351,8.5051;-1.6537,-1.9306,7.5112;-.6138,-.1997,6.0366;.2831,-.1921,6.6849;-.7929,.8549,5.7386;-.2512,-1.0111,4.7784;-.0151,-2.0433,5.0995;.6749,-.5948,4.3325;-1.3593,-1.0476,3.7274;-1.5439,-.0205,3.3498;-2.2933,-1.3664,4.2236;-1.0908,-1.9792,2.5411;-1.9836,-1.9962,1.8865;-.9673,-3.0124,2.9186;.1304,-1.6034,1.7015;.0547,-.561,1.3387;1.0635,-1.6833,2.2862;.2314,-2.2615,.8189;-.6,-2.5152,7.7923;-1.7895,-.7036,6.8308;-2.8,-.4342,6.5106;-2.8554,-2.4376,7.9752;.4531,.0665,11.6331;.3738,.2855,12.707;1.3996,.5089,11.2707;.5411,-1.0329,11.5042;-.744,.6049,10.8534;-1.6736,.1542,11.2297;-.8416,1.6903,11.0257;-.6511,.3231,9.3525;-.4318,-.748,9.2022;.2034,.8664,8.9131;-1.9366,.7171,8.6099;-3.0419,.6121,9.1437;-1.7809,1.4985,7.8207;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604160517697</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.014615514370 0.001729578565 0.028246498485 0.008704226290</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021173236 -0.004725514 0.000137505 0.000177585 0.000432672 0.001069607 0.001139578 0.001845081 0.002082416 0.002121421 0.002449729 0.002925134 0.003601788 0.004195614 0.005232353 0.005511861 0.006167046 0.007181050 0.008936463 0.010565779 0.012236360 0.014801557 0.018879053 0.021002911 0.021645000 0.024708381 0.025650690 0.029438960 0.030262766 0.031679020 0.033162245 0.034546809 0.035327432 0.038011421 0.040166300 0.044379303 0.046470294 0.046942108 0.051842985 0.052599387 0.053867790 0.054300595 0.057950612 0.059173848 0.062126163 0.064718829 0.067479818 0.068345411 0.071555574 0.076770954 0.077188304 0.079162330 0.079697393 0.081795014 0.085710054 0.089583713 0.099533151 0.099969330 0.100034795 0.106461551 0.109841120 0.112812827 0.115884151 0.127093351 0.130573341 0.135159615 0.138732539 0.142398563 0.146561285 0.152277190 0.157082035 0.164633029 0.168936023 0.170173423 0.172991366 0.179674193 0.184691038 0.193068758 0.197693561 0.206066380 0.214854731 0.225506298 0.235345405 0.253955745 0.261142707 0.290770451 0.309386027 0.343050389 0.390203973 0.414525256 0.429629819 0.475907647 0.538313279 0.552312895 0.588616205 0.607312273 0.662613518 0.663899776 0.734513428 0.751686748 0.757336093 0.765017953 0.772808936 0.778337206 0.782077837 0.796768510 0.802670113 0.812384294 0.818615862 0.819648945 0.838778238 0.846960629 0.852383655 0.867075223 0.876825251 0.890537732 0.896323778 0.898141655 0.910187917 0.918353737 0.933206675 0.942123988 0.971670046 0.978525766 1.454401004 1.548501203</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="-3.52251825" y3="-2.15939409" z3="10.87185665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51608598" y3="-1.21725978" z3="10.29412459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.28708571" y3="-1.92112779" z3="11.92606807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54450299" y3="-2.58494744" z3="10.84267366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50498621" y3="-3.13784671" z3="10.29367742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.46862594" y3="-4.06744384" z3="10.89656927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49377416" y3="-2.69661669" z3="10.32836891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.79305304" y3="-3.53208216" z3="8.84508329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.78207008" y3="-4.02498722" z3="8.78435003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.01922125" y3="-4.2381854" z3="8.49629711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66537512" y3="-1.92881843" z3="7.5097288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.62159994" y3="-0.19998548" z3="6.03503176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.27274188" y3="-0.19023814" z3="6.68637561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.80132015" y3="0.85381675" z3="5.73564383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25231048" y3="-1.01168365" z3="4.77946911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01586572" y3="-2.04274396" z3="5.10282648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67462982" y3="-0.59425481" z3="4.33642508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35660552" y3="-1.05165684" z3="3.72503116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.54262043" y3="-0.02537552" z3="3.34637719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29133081" y3="-1.37290789" z3="4.21850809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08146824" y3="-1.98279079" z3="2.5401599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.97155633" y3="-2.00231845" z3="1.88242855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.95666217" y3="-3.01538827" z3="2.91823084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14181706" y3="-1.60393044" z3="1.70498858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.0650841" y3="-0.56163836" z3="1.34256093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07274552" y3="-1.68184972" z3="2.29283743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.24770334" y3="-2.26127226" z3="0.82249838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61250535" y3="-2.5140191" z3="7.79343148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7993317" y3="-0.70563327" z3="6.82465583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.80918432" y3="-0.43223847" z3="6.50621993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.86796176" y3="-2.43219589" z3="7.9767524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.460646" y3="0.0595041" z3="11.61814183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.37662736" y3="0.25728592" z3="12.71150296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40798341" y3="0.51615516" z3="11.26192832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.54313179" y3="-1.03095822" z3="11.48800629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74266271" y3="0.60310348" z3="10.85083159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66895444" y3="0.13955011" z3="11.23033814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84863761" y3="1.69032232" z3="11.03635751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.65617511" y3="0.33274639" z3="9.3503643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.42169403" y3="-0.74236714" z3="9.18404824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19418603" y3="0.89297167" z3="8.91043807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.94652092" y3="0.72632072" z3="8.61564106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.04913025" y3="0.62111255" z3="9.15319845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79426135" y3="1.50065437" z3="7.82232574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5225,-2.1594,10.8719;-3.5161,-1.2173,10.2941;-3.2871,-1.9211,11.9261;-4.5445,-2.5849,10.8427;-2.505,-3.1378,10.2937;-2.4686,-4.0674,10.8966;-1.4938,-2.6966,10.3284;-2.7931,-3.5321,8.8451;-3.7821,-4.025,8.7844;-2.0192,-4.2382,8.4963;-1.6654,-1.9288,7.5097;-.6216,-.2,6.035;.2727,-.1902,6.6864;-.8013,.8538,5.7356;-.2523,-1.0117,4.7795;-.0159,-2.0427,5.1028;.6746,-.5943,4.3364;-1.3566,-1.0517,3.725;-1.5426,-.0254,3.3464;-2.2913,-1.3729,4.2185;-1.0815,-1.9828,2.5402;-1.9716,-2.0023,1.8824;-.9567,-3.0154,2.9182;.1418,-1.6039,1.705;.0651,-.5616,1.3426;1.0727,-1.6818,2.2928;.2477,-2.2613,.8225;-.6125,-2.514,7.7934;-1.7993,-.7056,6.8247;-2.8092,-.4322,6.5062;-2.868,-2.4322,7.9768;.4606,.0595,11.6181;.3766,.2573,12.7115;1.408,.5162,11.2619;.5431,-1.031,11.488;-.7427,.6031,10.8508;-1.669,.1396,11.2303;-.8486,1.6903,11.0364;-.6562,.3327,9.3504;-.4217,-.7424,9.184;.1942,.893,8.9104;-1.9465,.7263,8.6156;-3.0491,.6211,9.1532;-1.7943,1.5007,7.8223;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604140459403</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011921824374 0.001909464088 0.029154130571 0.008703256634</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.022972570 -0.006367570 0.000137695 0.000179982 0.000432806 0.001055083 0.001142417 0.001881313 0.002107469 0.002128554 0.002449516 0.002930128 0.003626108 0.004195288 0.005223673 0.005514982 0.006185671 0.007174491 0.008914469 0.010556297 0.012234061 0.014813027 0.018902383 0.021169320 0.021666340 0.024782648 0.026129120 0.029438708 0.030270992 0.031679491 0.033166248 0.034575116 0.035507363 0.038054932 0.040167272 0.044379234 0.046470450 0.046942159 0.051843020 0.052598224 0.053961008 0.054543694 0.057952289 0.059192004 0.063885603 0.064962409 0.067488333 0.068332067 0.071556513 0.076771632 0.077194954 0.079198027 0.079968474 0.081796639 0.085914382 0.089624964 0.099584130 0.100034680 0.100284110 0.106462740 0.109841869 0.112812999 0.115888268 0.130310755 0.131181982 0.135207050 0.138950297 0.145904256 0.147357977 0.152310593 0.157401782 0.165455160 0.168935513 0.170335784 0.173026908 0.179806228 0.184928907 0.193089053 0.197667376 0.206080152 0.214908709 0.225529477 0.235340219 0.253986236 0.261869454 0.290772103 0.309386526 0.343059408 0.390512042 0.414539670 0.429633641 0.475913029 0.538353814 0.553503994 0.588616572 0.607316964 0.662625698 0.666379321 0.734515297 0.751686846 0.757348074 0.765239690 0.772808746 0.778343076 0.782077730 0.796768327 0.802674340 0.813184020 0.818615938 0.819660045 0.846950918 0.851909455 0.853186564 0.867093092 0.878465288 0.890585468 0.896673699 0.898767609 0.910193893 0.918356476 0.933212338 0.942111052 0.971926689 0.978524483 1.454449460 1.548520760</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="-3.50804642" y3="-2.15955996" z3="10.88060117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.50309502" y3="-1.21627067" z3="10.30458327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25793158" y3="-1.92548086" z3="11.93229027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53294135" y3="-2.57853274" z3="10.86345647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50390568" y3="-3.14305261" z3="10.28806091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.46920881" y3="-4.07580084" z3="10.88645351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.48892178" y3="-2.70952398" z3="10.31460978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.80819276" y3="-3.52849221" z3="8.84050465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8025178" y3="-4.01103655" z3="8.78611751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.04472243" y3="-4.24148451" z3="8.48296339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67649304" y3="-1.92494355" z3="7.50930285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.62708986" y3="-0.1968125" z3="6.037788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.26586336" y3="-0.18544841" z3="6.69100796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.80573958" y3="0.85618253" z3="5.73501564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25476431" y3="-1.01224191" z3="4.78564951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01997668" y3="-2.04243794" z3="5.11271697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67375535" y3="-0.59652606" z3="4.34443331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35538536" y3="-1.05437431" z3="3.7278929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.54148491" y3="-0.02874393" z3="3.34781682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29126291" y3="-1.37635899" z3="4.21853665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.07443079" y3="-1.98572078" z3="2.54472686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.96234499" y3="-2.00797842" z3="1.88430011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.94820119" y3="-3.01757636" z3="2.92417345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.15050052" y3="-1.60452863" z3="1.713068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07249321" y3="-0.56266506" z3="1.35003439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07981075" y3="-1.68001772" z3="2.3036108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.26065433" y3="-2.26181018" z3="0.83118014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62465032" y3="-2.51400295" z3="7.79032393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.80683858" y3="-0.69892143" z3="6.82664216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.81575502" y3="-0.42356583" z3="6.50678244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87969538" y3="-2.4252819" z3="7.97617352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46180785" y3="0.06220946" z3="11.61399114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.38408637" y3="0.26533088" z3="12.69079674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40088788" y3="0.51389879" z3="11.25392473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.55870757" y3="-1.03470645" z3="11.47008579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74584316" y3="0.59608509" z3="10.84747545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.67150588" y3="0.11446238" z3="11.22099557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.865659" y3="1.68402548" z3="11.0443133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.64955149" y3="0.33699241" z3="9.339167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.41797232" y3="-0.7243755" z3="9.18027298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19540516" y3="0.90738683" z3="8.9034302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.94748869" y3="0.72407433" z3="8.61139988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0475" y3="0.61201359" z3="9.1547182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80321706" y3="1.50499924" z3="7.82098455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.508,-2.1596,10.8806;-3.5031,-1.2163,10.3046;-3.2579,-1.9255,11.9323;-4.5329,-2.5785,10.8635;-2.5039,-3.1431,10.2881;-2.4692,-4.0758,10.8865;-1.4889,-2.7095,10.3146;-2.8082,-3.5285,8.8405;-3.8025,-4.011,8.7861;-2.0447,-4.2415,8.483;-1.6765,-1.9249,7.5093;-.6271,-.1968,6.0378;.2659,-.1854,6.691;-.8057,.8562,5.735;-.2548,-1.0122,4.7856;-.02,-2.0424,5.1127;.6738,-.5965,4.3444;-1.3554,-1.0544,3.7279;-1.5415,-.0287,3.3478;-2.2913,-1.3764,4.2185;-1.0744,-1.9857,2.5447;-1.9623,-2.008,1.8843;-.9482,-3.0176,2.9242;.1505,-1.6045,1.7131;.0725,-.5627,1.35;1.0798,-1.68,2.3036;.2607,-2.2618,.8312;-.6247,-2.514,7.7903;-1.8068,-.6989,6.8266;-2.8158,-.4236,6.5068;-2.8797,-2.4253,7.9762;.4618,.0622,11.614;.3841,.2653,12.6908;1.4009,.5139,11.2539;.5587,-1.0347,11.4701;-.7458,.5961,10.8475;-1.6715,.1145,11.221;-.8657,1.684,11.0443;-.6496,.337,9.3392;-.418,-.7244,9.1803;.1954,.9074,8.9034;-1.9475,.7241,8.6114;-3.0475,.612,9.1547;-1.8032,1.505,7.821;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604079257492</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.012527216823 0.002373167802 0.032147515475 0.008703355252</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023638468 -0.009424209 0.000144612 0.000216801 0.000432710 0.001132377 0.001144633 0.001880986 0.002108983 0.002130471 0.002478924 0.002934733 0.003628329 0.004205676 0.005503939 0.005734411 0.006196981 0.007199822 0.008980153 0.010622323 0.012265936 0.014921343 0.018964764 0.021547781 0.021817831 0.024811100 0.026641086 0.029442486 0.030292709 0.031679804 0.033168872 0.034582042 0.035496988 0.038060443 0.040167536 0.044383699 0.046470784 0.046942323 0.051843234 0.052598230 0.053963974 0.054637073 0.057955245 0.059197192 0.064503246 0.067393308 0.068035454 0.070464350 0.071554967 0.076779156 0.077213923 0.079211668 0.080513187 0.081804588 0.086099685 0.089694887 0.099584618 0.100034974 0.100346761 0.106462514 0.109842164 0.112812984 0.115888157 0.130416969 0.132172301 0.135253840 0.138994135 0.146293337 0.151619758 0.154986171 0.157816704 0.165498006 0.168938458 0.170304611 0.173031593 0.179834262 0.185207962 0.193511609 0.198527667 0.206202703 0.214975902 0.225511788 0.235477499 0.254002000 0.262600483 0.290773823 0.309391410 0.343059810 0.390521981 0.414545036 0.429635197 0.475918891 0.538431190 0.556815114 0.588616642 0.607317065 0.662628533 0.674523313 0.734515700 0.751687165 0.757350529 0.765359071 0.772808602 0.778345715 0.782077956 0.796769131 0.802676909 0.816106917 0.818623314 0.819690308 0.846962461 0.852310474 0.863284493 0.867144295 0.879129020 0.890635515 0.897081613 0.904120082 0.910203082 0.918357409 0.933212807 0.942909189 0.972001968 0.978558948 1.454448702 1.548596035</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="-3.49192589" y3="-2.15951366" z3="10.89024303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48981149" y3="-1.21499597" z3="10.31575978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.22578407" y3="-1.92826333" z3="11.93890614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5197272" y3="-2.57286251" z3="10.88641673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50073263" y3="-3.14801616" z3="10.28295943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.4660196" y3="-4.0839852" z3="10.87713381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4821029" y3="-2.72174647" z3="10.3000839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82291365" y3="-3.52501826" z3="8.83680175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82246407" y3="-3.99787536" z3="8.78967769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.06964842" y3="-4.24441609" z3="8.46962417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68800499" y3="-1.92038098" z3="7.50971286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.63404259" y3="-0.19458033" z3="6.03865121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.25678896" y3="-0.18043924" z3="6.69514806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.81300872" y3="0.85763043" z3="5.73244672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25597366" y3="-1.01221218" z3="4.78967687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01998955" y3="-2.04154187" z3="5.11946196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67338605" y3="-0.59532294" z3="4.35106138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35319372" y3="-1.05854162" z3="3.72805693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.54119271" y3="-0.0335877" z3="3.34625997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28976776" y3="-1.38284705" z3="4.21601033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.06531887" y3="-1.99029864" z3="2.5467295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.95126634" y3="-2.01678779" z3="1.88335908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.93608993" y3="-3.02138758" z3="2.92783347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.16087327" y3="-1.60488772" z3="1.71881011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07963353" y3="-0.56345103" z3="1.35447387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08869316" y3="-1.6758754" z3="2.3127453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.27667312" y3="-2.26269294" z3="0.83789834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63754649" y3="-2.51114619" z3="7.79129223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.81598567" y3="-0.69562064" z3="6.82528924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.82407414" y3="-0.41907417" z3="6.5036873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89232205" y3="-2.41806443" z3="7.97681343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46694558" y3="0.05537362" z3="11.60079111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.38615667" y3="0.24492203" z3="12.6926187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40576064" y3="0.52219611" z3="11.24279012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.56527518" y3="-1.03274963" z3="11.4599449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74770268" y3="0.59071894" z3="10.84675338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66284489" y3="0.12015786" z3="11.22264907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.86545399" y3="1.66943417" z3="11.04076651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66097937" y3="0.34650337" z3="9.34048196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.41682251" y3="-0.72481008" z3="9.15757758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17961062" y3="0.91324871" z3="8.90703148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95604431" y3="0.73212075" z3="8.61164911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05363642" y3="0.62053534" z3="9.15866362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81576732" y3="1.50953914" z3="7.8176307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4919,-2.1595,10.8902;-3.4898,-1.215,10.3158;-3.2258,-1.9283,11.9389;-4.5197,-2.5729,10.8864;-2.5007,-3.148,10.283;-2.466,-4.084,10.8771;-1.4821,-2.7217,10.3001;-2.8229,-3.525,8.8368;-3.8225,-3.9979,8.7897;-2.0696,-4.2444,8.4696;-1.688,-1.9204,7.5097;-.634,-.1946,6.0387;.2568,-.1804,6.6951;-.813,.8576,5.7324;-.256,-1.0122,4.7897;-.02,-2.0415,5.1195;.6734,-.5953,4.3511;-1.3532,-1.0585,3.7281;-1.5412,-.0336,3.3463;-2.2898,-1.3828,4.216;-1.0653,-1.9903,2.5467;-1.9513,-2.0168,1.8834;-.9361,-3.0214,2.9278;.1609,-1.6049,1.7188;.0796,-.5635,1.3545;1.0887,-1.6759,2.3127;.2767,-2.2627,.8379;-.6375,-2.5111,7.7913;-1.816,-.6956,6.8253;-2.8241,-.4191,6.5037;-2.8923,-2.4181,7.9768;.4669,.0554,11.6008;.3862,.2449,12.6926;1.4058,.5222,11.2428;.5653,-1.0327,11.4599;-.7477,.5907,10.8468;-1.6628,.1202,11.2226;-.8655,1.6694,11.0408;-.661,.3465,9.3405;-.4168,-.7248,9.1576;.1796,.9132,8.907;-1.956,.7321,8.6116;-3.0536,.6205,9.1587;-1.8158,1.5095,7.8176;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604095956242</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.012427925952 0.002238245384 0.032500732834 0.008704342949</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023817792 -0.007008025 0.000143093 0.000205627 0.000434728 0.001132888 0.001143492 0.001880561 0.002109830 0.002130561 0.002477934 0.002935348 0.003629436 0.004205500 0.005505463 0.005920680 0.006196884 0.007222335 0.008996780 0.010669418 0.012273530 0.014978556 0.018991215 0.021593435 0.022014428 0.024823792 0.026683764 0.029449039 0.030292512 0.031682437 0.033186046 0.034631379 0.035638718 0.038082414 0.040167474 0.044396933 0.046471338 0.046943108 0.051843352 0.052598263 0.053965651 0.054630748 0.057954692 0.059201699 0.064505989 0.067432916 0.068084014 0.071551703 0.074590722 0.076809249 0.077312332 0.079212518 0.081451069 0.081864366 0.086267339 0.089681895 0.099603666 0.100035499 0.100597749 0.106469931 0.109845018 0.112813457 0.115888702 0.130415066 0.132208963 0.135262101 0.138992104 0.146293151 0.151661114 0.157096834 0.160379662 0.165590966 0.169022733 0.171086135 0.173051888 0.179836609 0.185256605 0.193768915 0.199920232 0.206464266 0.215410686 0.225500217 0.235773614 0.254016435 0.266402986 0.290790493 0.309400227 0.343065181 0.390710680 0.414544543 0.429636914 0.475918995 0.538468830 0.558590652 0.588617907 0.607317185 0.662628560 0.683827503 0.734515888 0.751688031 0.757351493 0.765355943 0.772808514 0.778349416 0.782079606 0.796774180 0.802681339 0.818478510 0.818776882 0.819800738 0.846964886 0.852316224 0.866616358 0.867662792 0.879141028 0.890656227 0.897111505 0.910202624 0.914503019 0.918360002 0.933227640 0.944360850 0.976916954 0.979519576 1.454448034 1.548663289</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="-3.47490124" y3="-2.16124116" z3="10.89867265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47525228" y3="-1.21565049" z3="10.32597351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19328333" y3="-1.93372114" z3="11.94407662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50546408" y3="-2.56714447" z3="10.90803596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49905554" y3="-3.15534043" z3="10.27623104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.46787096" y3="-4.09443157" z3="10.8647386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47650047" y3="-2.73992123" z3="10.28502177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8389895" y3="-3.52145782" z3="8.83132257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84382314" y3="-3.98362199" z3="8.79148327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09686853" y3="-4.24709186" z3="8.45368186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70008657" y3="-1.91638997" z3="7.50852587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.63984706" y3="-0.19208072" z3="6.04073899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.24903367" y3="-0.17639284" z3="6.69990067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.81757975" y3="0.8594723" z3="5.7321296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25740497" y3="-1.01244087" z3="4.79495927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02266978" y3="-2.04073784" z3="5.12827619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67325245" y3="-0.59647595" z3="4.35854995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35090787" y3="-1.06193815" z3="3.72977113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53948965" y3="-0.03784224" z3="3.34629349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28860286" y3="-1.38737175" z3="4.21479808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.05712513" y3="-1.99438663" z3="2.5503982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.94114198" y3="-2.02439292" z3="1.88486615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.92577039" y3="-3.02453698" z3="2.93289749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.16982669" y3="-1.60616054" z3="1.72491153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08570919" y3="-0.56584745" z3="1.35823793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.09622893" y3="-1.67254972" z3="2.32135387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.29041618" y3="-2.2653344" z3="0.84570278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.65097893" y3="-2.51005296" z3="7.79142409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.82455022" y3="-0.69272461" z3="6.82287191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.83148789" y3="-0.41185575" z3="6.50188072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.90576249" y3="-2.4104527" z3="7.97669654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46974765" y3="0.05716202" z3="11.59473949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39609959" y3="0.24398679" z3="12.68044151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40483114" y3="0.528847" z3="11.23579239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57252754" y3="-1.03438971" z3="11.44156512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7453651" y3="0.59025247" z3="10.83952314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66363054" y3="0.09461177" z3="11.21459832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87396063" y3="1.6735111" z3="11.0488269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66233688" y3="0.34601378" z3="9.33520231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.41922659" y3="-0.71505001" z3="9.15703372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17704548" y3="0.93295335" z3="8.90327216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96264434" y3="0.73556307" z3="8.61487001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05959071" y3="0.62462645" z3="9.1608267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.82091087" y3="1.51141405" z3="7.82125881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4749,-2.1612,10.8987;-3.4753,-1.2157,10.326;-3.1933,-1.9337,11.9441;-4.5055,-2.5671,10.908;-2.4991,-3.1553,10.2762;-2.4679,-4.0944,10.8647;-1.4765,-2.7399,10.285;-2.839,-3.5215,8.8313;-3.8438,-3.9836,8.7915;-2.0969,-4.2471,8.4537;-1.7001,-1.9164,7.5085;-.6398,-.1921,6.0407;.249,-.1764,6.6999;-.8176,.8595,5.7321;-.2574,-1.0124,4.795;-.0227,-2.0407,5.1283;.6733,-.5965,4.3585;-1.3509,-1.0619,3.7298;-1.5395,-.0378,3.3463;-2.2886,-1.3874,4.2148;-1.0571,-1.9944,2.5504;-1.9411,-2.0244,1.8849;-.9258,-3.0245,2.9329;.1698,-1.6062,1.7249;.0857,-.5658,1.3582;1.0962,-1.6725,2.3214;.2904,-2.2653,.8457;-.651,-2.5101,7.7914;-1.8246,-.6927,6.8229;-2.8315,-.4119,6.5019;-2.9058,-2.4105,7.9767;.4697,.0572,11.5947;.3961,.244,12.6804;1.4048,.5288,11.2358;.5725,-1.0344,11.4416;-.7454,.5903,10.8395;-1.6636,.0946,11.2146;-.874,1.6735,11.0488;-.6623,.346,9.3352;-.4192,-.7151,9.157;.177,.933,8.9033;-1.9626,.7356,8.6149;-3.0596,.6246,9.1608;-1.8209,1.5114,7.8213;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604142485352</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.013507887356 0.001705079047 0.030558500145 0.008705222289</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023849070 -0.004514789 0.000144016 0.000198261 0.000439313 0.001142087 0.001167534 0.001881278 0.002115561 0.002136199 0.002497775 0.002938087 0.003629041 0.004208571 0.005505487 0.005905490 0.006201763 0.007234428 0.009030358 0.010668856 0.012277684 0.015025155 0.018991666 0.021594760 0.022085202 0.024828096 0.026683658 0.029451992 0.030292716 0.031684771 0.033201869 0.034662359 0.035855010 0.038182106 0.040167464 0.044396090 0.046472387 0.046942980 0.051843863 0.052597425 0.053964347 0.054662351 0.057958443 0.059205429 0.064505880 0.067441055 0.068105654 0.071558185 0.075338422 0.076819695 0.077396414 0.079234767 0.081726288 0.082115287 0.087231412 0.089798570 0.099623730 0.100035412 0.102064569 0.106500156 0.109850846 0.112814462 0.115890022 0.130416862 0.132208946 0.135262242 0.138993863 0.146300049 0.151694391 0.157225179 0.160888453 0.165835466 0.169067873 0.172772811 0.173810920 0.180022136 0.185259825 0.193779884 0.200383032 0.206837591 0.215700546 0.225560370 0.235851813 0.254066831 0.269134323 0.290791680 0.309399892 0.343066176 0.391305493 0.414567413 0.429638481 0.475919309 0.538484958 0.558834815 0.588619772 0.607327330 0.662629592 0.686817943 0.734516922 0.751687989 0.757355695 0.765629601 0.772808692 0.778352000 0.782078948 0.796777994 0.802681264 0.818583897 0.819267587 0.820082189 0.846967419 0.852318188 0.866594312 0.867632538 0.880296867 0.890681456 0.897110484 0.910205428 0.918346799 0.919476960 0.933237920 0.944525618 0.978229384 0.990304218 1.454570760 1.548667646</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="-3.45880127" y3="-2.16607666" z3="10.90397373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45821276" y3="-1.21868534" z3="10.33473113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.16272483" y3="-1.94489077" z3="11.9465455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.49225975" y3="-2.56305726" z3="10.92453384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49904384" y3="-3.16575348" z3="10.26648299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.47256011" y3="-4.10897009" z3="10.84855421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47246176" y3="-2.76052102" z3="10.26856528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.85484667" y3="-3.5190141" z3="8.82234422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.86410707" y3="-3.97149969" z3="8.78812363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.12263396" y3="-4.24905837" z3="8.43396488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71250357" y3="-1.91156454" z3="7.50609757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.64479348" y3="-0.18825903" z3="6.0432908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.24176163" y3="-0.17204502" z3="6.70507825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.82056242" y3="0.86266724" z3="5.7319816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25859953" y3="-1.01224169" z3="4.80137828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02568809" y3="-2.03942474" z3="5.13905276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67368928" y3="-0.59824862" z3="4.36669697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34866683" y3="-1.06465361" z3="3.73343487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53704853" y3="-0.04159099" z3="3.34732686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28715685" y3="-1.3899643" z3="4.21690531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.05030326" y3="-1.99925085" z3="2.55714634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.93291742" y3="-2.0335027" z3="1.89005521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.91666851" y3="-3.02797136" z3="2.94296687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.17708382" y3="-1.60971579" z3="1.733038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09024989" y3="-0.57099235" z3="1.3627886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.10230818" y3="-1.67090947" z3="2.33170067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.30195502" y3="-2.2712696" z3="0.85631098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.66488561" y3="-2.5093538" z3="7.78585171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.83265465" y3="-0.68555188" z3="6.82312605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.83823632" y3="-0.40164177" z3="6.50053924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.91880075" y3="-2.40239578" z3="7.97448958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47665326" y3="0.06073913" z3="11.58671278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39828026" y3="0.24203615" z3="12.6771288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40700715" y3="0.53846417" z3="11.22785302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58729485" y3="-1.02712552" z3="11.43372012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74832986" y3="0.58613137" z3="10.84231707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65746069" y3="0.09722974" z3="11.21737026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87904591" y3="1.66403239" z3="11.05104044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66229011" y3="0.35712715" z3="9.32850662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.41642275" y3="-0.70507322" z3="9.14005664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17119741" y3="0.93687881" z3="8.89830865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96772512" y3="0.74118354" z3="8.61411866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06165547" y3="0.62377029" z3="9.16977069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.83577475" y3="1.51940073" z3="7.81839321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4588,-2.1661,10.904;-3.4582,-1.2187,10.3347;-3.1627,-1.9449,11.9465;-4.4923,-2.5631,10.9245;-2.499,-3.1658,10.2665;-2.4726,-4.109,10.8486;-1.4725,-2.7605,10.2686;-2.8548,-3.519,8.8223;-3.8641,-3.9715,8.7881;-2.1226,-4.2491,8.434;-1.7125,-1.9116,7.5061;-.6448,-.1883,6.0433;.2418,-.172,6.7051;-.8206,.8627,5.732;-.2586,-1.0122,4.8014;-.0257,-2.0394,5.1391;.6737,-.5982,4.3667;-1.3487,-1.0647,3.7334;-1.537,-.0416,3.3473;-2.2872,-1.39,4.2169;-1.0503,-1.9993,2.5571;-1.9329,-2.0335,1.8901;-.9167,-3.028,2.943;.1771,-1.6097,1.733;.0902,-.571,1.3628;1.1023,-1.6709,2.3317;.302,-2.2713,.8563;-.6649,-2.5094,7.7859;-1.8327,-.6856,6.8231;-2.8382,-.4016,6.5005;-2.9188,-2.4024,7.9745;.4767,.0607,11.5867;.3983,.242,12.6771;1.407,.5385,11.2279;.5873,-1.0271,11.4337;-.7483,.5861,10.8423;-1.6575,.0972,11.2174;-.879,1.664,11.051;-.6623,.3571,9.3285;-.4164,-.7051,9.1401;.1712,.9369,8.8983;-1.9677,.7412,8.6141;-3.0617,.6238,9.1698;-1.8358,1.5194,7.8184;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604145654443</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011859679344 0.001460304871 0.027762438374 0.008704526175</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023874013 -0.003370825 0.000140074 0.000194237 0.000436079 0.001142563 0.001209284 0.001899589 0.002117906 0.002191273 0.002484370 0.002938133 0.003630547 0.004208960 0.005505343 0.005893241 0.006227920 0.007246421 0.009044477 0.010668500 0.012282500 0.015093454 0.018996744 0.021594587 0.022138373 0.024828949 0.026685996 0.029453558 0.030296255 0.031684774 0.033208229 0.034688767 0.036122241 0.038350860 0.040167528 0.044396893 0.046472487 0.046942721 0.051845101 0.052596501 0.053963598 0.054677031 0.057965643 0.059204156 0.064507994 0.067445845 0.068128341 0.071605239 0.075309045 0.076816727 0.077404669 0.079246201 0.081746745 0.082151504 0.088013418 0.090099289 0.099626483 0.100035445 0.103377827 0.106529558 0.109852371 0.112815038 0.115899906 0.130417123 0.132209272 0.135262091 0.138993472 0.146305644 0.151707579 0.157232254 0.160988029 0.165878858 0.169083755 0.172906645 0.176457929 0.180480132 0.185376896 0.193796370 0.200402122 0.207062607 0.216130549 0.225778209 0.235867076 0.254084777 0.269552684 0.290793538 0.309403419 0.343069627 0.391497428 0.414579409 0.429639572 0.475919372 0.538484722 0.558853458 0.588619749 0.607327133 0.662630258 0.687127523 0.734523773 0.751688103 0.757357782 0.766220710 0.772808691 0.778352788 0.782079425 0.796778089 0.802681147 0.818584619 0.819301409 0.820145923 0.846971192 0.852323599 0.866773271 0.867916179 0.881639273 0.890700030 0.897120968 0.910217857 0.918349448 0.922138746 0.933243889 0.944538283 0.978308908 0.999854855 1.455184020 1.548792067</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="-3.44501617" y3="-2.1731729" z3="10.9068375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.44530356" y3="-1.22314033" z3="10.34130139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.13496239" y3="-1.95837308" z3="11.94678045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.48124217" y3="-2.5629585" z3="10.93799496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49955958" y3="-3.177214" z3="10.25445016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.47619215" y3="-4.12494507" z3="10.83025476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46922993" y3="-2.78108494" z3="10.24962219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8705829" y3="-3.51688046" z3="8.81071019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.88376803" y3="-3.96086148" z3="8.78131019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14768132" y3="-4.2504053" z3="8.41151827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72395019" y3="-1.90579615" z3="7.50290714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.65038576" y3="-0.18304853" z3="6.04443963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.23444806" y3="-0.16384147" z3="6.70947327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.8262627" y3="0.86714153" z3="5.72916958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25902931" y3="-1.01035473" z3="4.80609991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02551454" y3="-2.03632143" z3="5.14775898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67412029" y3="-0.59606426" z3="4.3731644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3465443" y3="-1.0678031" z3="3.73517084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53564237" y3="-0.04609107" z3="3.34488621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28577862" y3="-1.39278157" z3="4.21750508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.04380994" y3="-2.00619668" z3="2.56285108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.92545852" y3="-2.04587667" z3="1.89432187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.90749224" y3="-3.0330837" z3="2.95295429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.18371243" y3="-1.61574752" z3="1.73931297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09308195" y3="-0.57901804" z3="1.36353956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.10811595" y3="-1.66987359" z3="2.34054055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.31316309" y3="-2.28142748" z3="0.86613397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.6781771" y3="-2.50775832" z3="7.78152206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.8405317" y3="-0.68000497" z3="6.82078664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.84514208" y3="-0.39031481" z3="6.50002569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.93201927" y3="-2.39415841" z3="7.97110925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48359192" y3="0.0668896" z3="11.58209165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41639967" y3="0.24940265" z3="12.66866546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41073062" y3="0.54826141" z3="11.21807614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.59651334" y3="-1.0216589" z3="11.42636607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74389924" y3="0.59135241" z3="10.84054326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65198668" y3="0.08905913" z3="11.22214653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.88183509" y3="1.6702456" z3="11.05115109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67050377" y3="0.35671544" z3="9.33614577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.42118704" y3="-0.70604879" z3="9.14381327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.16324888" y3="0.94813334" z3="8.90246127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.97311854" y3="0.74723428" z3="8.62366938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06660601" y3="0.63375482" z3="9.17296611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.83707478" y3="1.52350334" z3="7.82982383">
                           <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 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.445,-2.1732,10.9068;-3.4453,-1.2231,10.3413;-3.135,-1.9584,11.9468;-4.4812,-2.563,10.938;-2.4996,-3.1772,10.2545;-2.4762,-4.1249,10.8303;-1.4692,-2.7811,10.2496;-2.8706,-3.5169,8.8107;-3.8838,-3.9609,8.7813;-2.1477,-4.2504,8.4115;-1.724,-1.9058,7.5029;-.6504,-.183,6.0444;.2344,-.1638,6.7095;-.8263,.8671,5.7292;-.259,-1.0104,4.8061;-.0255,-2.0363,5.1478;.6741,-.5961,4.3732;-1.3465,-1.0678,3.7352;-1.5356,-.0461,3.3449;-2.2858,-1.3928,4.2175;-1.0438,-2.0062,2.5629;-1.9255,-2.0459,1.8943;-.9075,-3.0331,2.953;.1837,-1.6157,1.7393;.0931,-.579,1.3635;1.1081,-1.6699,2.3405;.3132,-2.2814,.8661;-.6782,-2.5078,7.7815;-1.8405,-.68,6.8208;-2.8451,-.3903,6.5;-2.932,-2.3942,7.9711;.4836,.0669,11.5821;.4164,.2494,12.6687;1.4107,.5483,11.2181;.5965,-1.0217,11.4264;-.7439,.5914,10.8405;-1.652,.0891,11.2221;-.8818,1.6702,11.0512;-.6705,.3567,9.3361;-.4212,-.706,9.1438;.1632,.9481,8.9025;-1.9731,.7472,8.6237;-3.0666,.6338,9.173;-1.8371,1.5235,7.8298;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604135093437</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009306476493 0.001315960420 0.024389795736 0.008702067909</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023897913 -0.003134868 0.000148175 0.000180098 0.000429349 0.001141103 0.001233541 0.001893193 0.002124305 0.002194418 0.002479688 0.002936015 0.003631813 0.004208722 0.005505988 0.005937067 0.006256920 0.007264953 0.009082008 0.010670119 0.012291278 0.015160507 0.019004790 0.021594903 0.022222755 0.024834612 0.026781408 0.029464367 0.030320935 0.031685143 0.033219616 0.034713193 0.036492153 0.038692494 0.040167690 0.044395685 0.046472686 0.046942495 0.051846620 0.052596801 0.053974088 0.054676819 0.057974092 0.059204400 0.064507439 0.067445963 0.068223762 0.071724370 0.075512907 0.076818749 0.077404728 0.079248767 0.081748251 0.082159540 0.088279765 0.090496050 0.099626478 0.100035687 0.103960078 0.106554092 0.109852383 0.112814890 0.115903902 0.130417114 0.132209608 0.135261859 0.138993084 0.146312965 0.151708391 0.157231037 0.160981820 0.165893730 0.169089044 0.172910816 0.177916803 0.181514814 0.185725282 0.193893384 0.200400954 0.207329151 0.216472768 0.226368484 0.235866867 0.254100767 0.269581545 0.290796844 0.309406361 0.343072806 0.391507021 0.414591948 0.429642695 0.475920644 0.538485268 0.558882327 0.588621385 0.607329216 0.662630327 0.687128159 0.734536563 0.751688150 0.757374122 0.767026843 0.772809488 0.778356875 0.782081619 0.796781426 0.802691959 0.818602444 0.819497905 0.820855784 0.846973603 0.852332968 0.866880627 0.868412142 0.883128042 0.890760120 0.897133183 0.910221576 0.918360247 0.923401984 0.933244954 0.944672370 0.978342655 1.005890536 1.456139684 1.549093027</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="-3.43736404" y3="-2.18532416" z3="10.90495317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43508005" y3="-1.2320603" z3="10.3453859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.12015422" y3="-1.97873153" z3="11.94403645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.47554037" y3="-2.56805578" z3="10.93987428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50305076" y3="-3.19173973" z3="10.24125058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.48715148" y3="-4.14384542" z3="10.80866773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46998711" y3="-2.80547474" z3="10.2362261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.88178551" y3="-3.51630775" z3="8.79643638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.89773958" y3="-3.95333658" z3="8.76775847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.16577054" y3="-4.25140163" z3="8.38816014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73086514" y3="-1.89947639" z3="7.49884605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.65446164" y3="-0.17527523" z3="6.04437539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.2295156" y3="-0.15368064" z3="6.7100682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.83067606" y3="0.87381145" z3="5.72676746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25988678" y3="-1.0058924" z3="4.80920052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02599059" y3="-2.03019675" z3="5.15532065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67342877" y3="-0.59210089" z3="4.37635988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.345442" y3="-1.06898732" z3="3.73672202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53420553" y3="-0.04933298" z3="3.34115216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28521902" y3="-1.39197893" z3="4.21929566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.04056365" y3="-2.01320921" z3="2.56952549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.92122833" y3="-2.05680148" z3="1.90033837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.90405728" y3="-3.0378803" z3="2.96493221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1873785" y3="-1.62624293" z3="1.74510173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09638991" y3="-0.5919872" z3="1.36362352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.11074474" y3="-1.67642138" z3="2.34741047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.31850478" y3="-2.29627353" z3="0.87576557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.68601871" y3="-2.50457566" z3="7.77530087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.84563399" y3="-0.67232411" z3="6.8192038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.84983564" y3="-0.37918984" z3="6.50062769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.93979314" y3="-2.38667275" z3="7.96621407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49474122" y3="0.07926819" z3="11.58163483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.42694122" y3="0.26027233" z3="12.67382782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41877097" y3="0.56605112" z3="11.21213464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.61120374" y3="-1.00905508" z3="11.42793183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73980764" y3="0.59634154" z3="10.84778802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6435563" y3="0.09949161" z3="11.23288009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87536832" y3="1.67514211" z3="11.05637381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66871731" y3="0.36200168" z3="9.33513519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.43446246" y3="-0.69809587" z3="9.14929483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.16424314" y3="0.93794937" z3="8.89956593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9763096" y3="0.75495989" z3="8.63151329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06756974" y3="0.63419571" z3="9.19006221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.84693186" y3="1.53183078" z3="7.83532936">
                           <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 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4374,-2.1853,10.905;-3.4351,-1.2321,10.3454;-3.1202,-1.9787,11.944;-4.4755,-2.5681,10.9399;-2.5031,-3.1917,10.2413;-2.4872,-4.1438,10.8087;-1.47,-2.8055,10.2362;-2.8818,-3.5163,8.7964;-3.8977,-3.9533,8.7678;-2.1658,-4.2514,8.3882;-1.7309,-1.8995,7.4988;-.6545,-.1753,6.0444;.2295,-.1537,6.7101;-.8307,.8738,5.7268;-.2599,-1.0059,4.8092;-.026,-2.0302,5.1553;.6734,-.5921,4.3764;-1.3454,-1.069,3.7367;-1.5342,-.0493,3.3412;-2.2852,-1.392,4.2193;-1.0406,-2.0132,2.5695;-1.9212,-2.0568,1.9003;-.9041,-3.0379,2.9649;.1874,-1.6262,1.7451;.0964,-.592,1.3636;1.1107,-1.6764,2.3474;.3185,-2.2963,.8758;-.686,-2.5046,7.7753;-1.8456,-.6723,6.8192;-2.8498,-.3792,6.5006;-2.9398,-2.3867,7.9662;.4947,.0793,11.5816;.4269,.2603,12.6738;1.4188,.5661,11.2121;.6112,-1.0091,11.4279;-.7398,.5963,10.8478;-1.6436,.0995,11.2329;-.8754,1.6751,11.0564;-.6687,.362,9.3351;-.4345,-.6981,9.1493;.1642,.9379,8.8996;-1.9763,.755,8.6315;-3.0676,.6342,9.1901;-1.8469,1.5318,7.8353;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604130356980</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007709831835 0.001387306923 0.027787762346 0.008704009660</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023872553 -0.003399759 0.000143678 0.000175247 0.000423689 0.001130167 0.001155017 0.001893139 0.002122166 0.002213246 0.002471820 0.002940514 0.003634804 0.004211176 0.005506512 0.005892402 0.006252694 0.007254797 0.009062979 0.010677105 0.012288516 0.015159192 0.019033627 0.021595595 0.022317707 0.024843838 0.027271610 0.029474829 0.030351259 0.031686500 0.033218966 0.034730428 0.036712702 0.039074480 0.040169260 0.044408525 0.046472730 0.046943052 0.051852498 0.052594946 0.053974280 0.054725423 0.057977399 0.059205400 0.064520797 0.067446653 0.068219775 0.071820521 0.076058904 0.076843150 0.077416373 0.079253494 0.081750270 0.082170318 0.088548806 0.091228157 0.099626680 0.100036338 0.103959697 0.106550485 0.109854554 0.112814978 0.115905974 0.130418477 0.132209879 0.135262310 0.138993881 0.146312175 0.151804043 0.157230357 0.160987574 0.165894331 0.169090208 0.172916359 0.178382371 0.182317161 0.186340563 0.194134037 0.200439786 0.207548422 0.217139953 0.226904473 0.235949385 0.254151422 0.269592897 0.290797564 0.309414267 0.343073586 0.391632575 0.414591164 0.429643641 0.475923120 0.538485605 0.559065979 0.588622768 0.607329343 0.662630344 0.687275996 0.734536038 0.751689178 0.757387518 0.767548200 0.772809258 0.778358633 0.782083607 0.796793721 0.802694711 0.818608182 0.819593754 0.824286803 0.846981458 0.852342286 0.866953894 0.869260668 0.884516453 0.890859867 0.897136941 0.910231465 0.918362395 0.925142110 0.933245043 0.944772031 0.978344171 1.007982522 1.457231698 1.549372606</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="-3.43542721" y3="-2.19903664" z3="10.89994893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42793575" y3="-1.24188526" z3="10.34728816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.11668419" y3="-2.00199001" z3="11.94033473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.47572513" y3="-2.57572555" z3="10.9323739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50754059" y3="-3.20607334" z3="10.22851161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49691566" y3="-4.16299718" z3="10.78893423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4720929" y3="-2.82513578" z3="10.22600955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.88851115" y3="-3.51715038" z3="8.78125679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.90563702" y3="-3.95141137" z3="8.75005651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.17475151" y3="-4.25083089" z3="8.36656041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73454849" y3="-1.89365883" z3="7.4936476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.65699039" y3="-0.16666217" z3="6.04345614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.22674846" y3="-0.14214223" z3="6.7095996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.83524179" y3="0.88158884" z3="5.72386172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26032062" y3="-0.99933242" z3="4.81027609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02555408" y3="-2.02213192" z3="5.15997302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.6726155" y3="-0.58556579" z3="4.37651723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34544341" y3="-1.06727958" z3="3.73791905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53317759" y3="-0.04983136" z3="3.33613051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28546629" y3="-1.38672783" z3="4.22233585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.0411838" y3="-2.01895295" z3="2.57671223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.92142106" y3="-2.06574087" z3="1.90702538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.90626954" y3="-3.0412918" z3="2.97904104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.18798189" y3="-1.6391997" z3="1.75077585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09853944" y3="-0.6073046" z3="1.36199377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.1108044" y3="-1.68625482" z3="2.35462893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.31914199" y3="-2.31549523" z3="0.88602827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.69051332" y3="-2.5016233" z3="7.76830468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.84800085" y3="-0.66578539" z3="6.81684342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.85210455" y3="-0.36799089" z3="6.50251448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.94446842" y3="-2.38084639" z3="7.96021034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50267901" y3="0.09283067" z3="11.58731095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.44466532" y3="0.28806009" z3="12.67102815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.42537605" y3="0.56734923" z3="11.21232692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.61285283" y3="-0.99482875" z3="11.44252319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73123705" y3="0.60675056" z3="10.85072054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.63546483" y3="0.1115978" z3="11.24369186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.86350489" y3="1.68733455" z3="11.05278616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67101442" y3="0.36101547" z3="9.3447637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.43077428" y3="-0.70832955" z3="9.15379445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.16362124" y3="0.94310654" z3="8.89789873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.97882711" y3="0.75832216" z3="8.64607762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06891682" y3="0.63429436" z3="9.19930628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.85172321" y3="1.53634979" z3="7.85107426">
                           <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 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4354,-2.199,10.8999;-3.4279,-1.2419,10.3473;-3.1167,-2.002,11.9403;-4.4757,-2.5757,10.9324;-2.5075,-3.2061,10.2285;-2.4969,-4.163,10.7889;-1.4721,-2.8251,10.226;-2.8885,-3.5172,8.7813;-3.9056,-3.9514,8.7501;-2.1748,-4.2508,8.3666;-1.7345,-1.8937,7.4936;-.657,-.1667,6.0435;.2267,-.1421,6.7096;-.8352,.8816,5.7239;-.2603,-.9993,4.8103;-.0256,-2.0221,5.16;.6726,-.5856,4.3765;-1.3454,-1.0673,3.7379;-1.5332,-.0498,3.3361;-2.2855,-1.3867,4.2223;-1.0412,-2.019,2.5767;-1.9214,-2.0657,1.907;-.9063,-3.0413,2.979;.188,-1.6392,1.7508;.0985,-.6073,1.362;1.1108,-1.6863,2.3546;.3191,-2.3155,.886;-.6905,-2.5016,7.7683;-1.848,-.6658,6.8168;-2.8521,-.368,6.5025;-2.9445,-2.3808,7.9602;.5027,.0928,11.5873;.4447,.2881,12.671;1.4254,.5673,11.2123;.6129,-.9948,11.4425;-.7312,.6068,10.8507;-1.6355,.1116,11.2437;-.8635,1.6873,11.0528;-.671,.361,9.3448;-.4308,-.7083,9.1538;.1636,.9431,8.8979;-1.9788,.7583,8.6461;-3.0689,.6343,9.1993;-1.8517,1.5363,7.8511;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604121488636</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007364308290 0.001299666417 0.027681749141 0.008703993299</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023846169 -0.004348654 0.000149329 0.000175203 0.000406210 0.001031126 0.001156865 0.001964880 0.002120809 0.002446587 0.002469489 0.002969861 0.003762368 0.004211564 0.005507846 0.005901942 0.006367964 0.007279417 0.009060004 0.010680663 0.012297797 0.015166948 0.019034525 0.021610679 0.022412547 0.024863072 0.028850302 0.029547426 0.030500740 0.031686086 0.033229903 0.034737272 0.036899765 0.039499248 0.040173894 0.044400267 0.046472772 0.046943100 0.051854034 0.052593304 0.053991900 0.054858076 0.057977017 0.059205428 0.064522951 0.067449780 0.068221767 0.071845217 0.076514906 0.076972527 0.077505191 0.079255466 0.081772131 0.082351420 0.088726858 0.093018277 0.099629287 0.100043303 0.103977095 0.106553664 0.109864902 0.112818673 0.115909822 0.130424678 0.132226159 0.135261828 0.138994383 0.146312129 0.152001160 0.157230717 0.161067282 0.165911550 0.169090770 0.172916819 0.178521766 0.182735110 0.187166406 0.194417049 0.200466588 0.207594795 0.217557464 0.227230206 0.236766477 0.254147775 0.269615095 0.290807056 0.309479700 0.343082102 0.392610864 0.414626547 0.429646739 0.475923126 0.538490970 0.559827295 0.588628792 0.607329667 0.662630353 0.687326862 0.734538315 0.751688865 0.757407755 0.768055393 0.772810427 0.778362363 0.782086730 0.796794260 0.802703074 0.818615188 0.819623186 0.828842108 0.846982850 0.852346659 0.866994219 0.870831122 0.886386767 0.890967501 0.897163637 0.910233760 0.918368328 0.926407384 0.933265852 0.944785277 0.978344124 1.009018940 1.457616797 1.549488926</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="-3.43759927" y3="-2.21097569" z3="10.89297885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42640063" y3="-1.25047984" z3="10.34586581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.12071006" y3="-2.02104994" z3="11.93539745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.47959384" y3="-2.58443692" z3="10.92063791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51142134" y3="-3.21731056" z3="10.21793866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50525392" y3="-4.17714447" z3="10.77342612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47461135" y3="-2.83990215" z3="10.21920034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.89062507" y3="-3.51925232" z3="8.76821233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.90783152" y3="-3.95340176" z3="8.73284273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.17632719" y3="-4.25048506" z3="8.35013408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73378524" y3="-1.88979705" z3="7.49029247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.65674165" y3="-0.16026405" z3="6.04179351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.22715396" y3="-0.1333496" z3="6.70784136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.83736376" y3="0.88735995" z3="5.72156535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25865175" y3="-0.99284461" z3="4.80887787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02173647" y3="-2.01473892" z3="5.15950904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67320959" y3="-0.57771022" z3="4.37392181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34504783" y3="-1.06405243" z3="3.73802954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53102325" y3="-0.04844799" z3="3.33091828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28508858" y3="-1.37886696" z3="4.2254536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.04435159" y3="-2.02275331" z3="2.58198519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.92471788" y3="-2.07011274" z3="1.9127878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.91316989" y3="-3.0431658" z3="2.98979003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.18625496" y3="-1.65160423" z3="1.75426249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09998395" y3="-0.62188749" z3="1.35918559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.10848493" y3="-1.69755983" z3="2.35901788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.31592826" y3="-2.33364162" z3="0.89384919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.69041996" y3="-2.49886327" z3="7.76516778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.84709944" y3="-0.66232017" z3="6.81414522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.85153025" y3="-0.36155222" z3="6.50353894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.94485885" y3="-2.37805125" z3="7.9543448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.51366881" y3="0.10598751" z3="11.5881671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.45626353" y3="0.30203263" z3="12.67877163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.43539053" y3="0.58867373" z3="11.20200222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.62985949" y3="-0.98630949" z3="11.44753132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.72737192" y3="0.61878562" z3="10.85948621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.62950185" y3="0.12748878" z3="11.26307749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85973015" y3="1.70146459" z3="11.05108437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67362237" y3="0.35955894" z3="9.35293059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45845603" y3="-0.70609559" z3="9.17915721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.16380658" y3="0.91586818" z3="8.90165751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9779345" y3="0.76330753" z3="8.65600308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06880162" y3="0.63742703" z3="9.2068582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.84698736" y3="1.53986037" z3="7.86273391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4376,-2.211,10.893;-3.4264,-1.2505,10.3459;-3.1207,-2.021,11.9354;-4.4796,-2.5844,10.9206;-2.5114,-3.2173,10.2179;-2.5053,-4.1771,10.7734;-1.4746,-2.8399,10.2192;-2.8906,-3.5193,8.7682;-3.9078,-3.9534,8.7328;-2.1763,-4.2505,8.3501;-1.7338,-1.8898,7.4903;-.6567,-.1603,6.0418;.2272,-.1333,6.7078;-.8374,.8874,5.7216;-.2587,-.9928,4.8089;-.0217,-2.0147,5.1595;.6732,-.5777,4.3739;-1.345,-1.0641,3.738;-1.531,-.0484,3.3309;-2.2851,-1.3789,4.2255;-1.0444,-2.0228,2.582;-1.9247,-2.0701,1.9128;-.9132,-3.0432,2.9898;.1863,-1.6516,1.7543;.1,-.6219,1.3592;1.1085,-1.6976,2.359;.3159,-2.3336,.8938;-.6904,-2.4989,7.7652;-1.8471,-.6623,6.8141;-2.8515,-.3616,6.5035;-2.9449,-2.3781,7.9543;.5137,.106,11.5882;.4563,.302,12.6788;1.4354,.5887,11.202;.6299,-.9863,11.4475;-.7274,.6188,10.8595;-1.6295,.1275,11.2631;-.8597,1.7015,11.0511;-.6736,.3596,9.3529;-.4585,-.7061,9.1792;.1638,.9159,8.9017;-1.9779,.7633,8.656;-3.0688,.6374,9.2069;-1.847,1.5399,7.8627;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604143065113</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006958302151 0.001251992277 0.032448634621 0.008703636397</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023889855 -0.002954861 0.000158545 0.000193499 0.000401288 0.000988864 0.001157385 0.001955520 0.002119876 0.002461784 0.002579686 0.003005186 0.003924166 0.004221018 0.005509841 0.005898493 0.006481887 0.007340674 0.009072504 0.010732364 0.012344132 0.015230438 0.019034734 0.021628151 0.022458985 0.024884241 0.029430475 0.030089630 0.031166752 0.031707838 0.033238369 0.034736452 0.036959679 0.039533538 0.040175385 0.044399025 0.046472751 0.046943009 0.051856147 0.052592041 0.054000089 0.054988117 0.057976113 0.059205234 0.064539770 0.067451533 0.068267832 0.071847587 0.076581593 0.077019452 0.077580688 0.079268528 0.081780481 0.082592379 0.088805281 0.095151334 0.099631473 0.100056361 0.104131645 0.106566801 0.109882464 0.112821211 0.115911917 0.130446265 0.132316606 0.135261677 0.138999267 0.146313864 0.152295007 0.157232908 0.161179157 0.165908288 0.169090741 0.172916610 0.178526467 0.182886826 0.187589239 0.194642210 0.200549420 0.207601086 0.217718938 0.227214135 0.238906687 0.254151963 0.269675872 0.290828637 0.309652607 0.343081773 0.394772512 0.414772626 0.429648430 0.475923200 0.538511616 0.560896340 0.588628611 0.607331843 0.662632475 0.687386415 0.734541682 0.751691096 0.757411309 0.768160121 0.772810529 0.778363030 0.782087007 0.796796176 0.802703063 0.818615448 0.819629275 0.833506537 0.846985864 0.852353410 0.867023856 0.872809286 0.887663408 0.891188009 0.897169548 0.910236827 0.918368572 0.928671720 0.933315696 0.944879749 0.978376528 1.009103463 1.457674497 1.549501694</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="-3.44282797" y3="-2.22200227" z3="10.88406212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42569177" y3="-1.25843991" z3="10.34276431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.13274547" y3="-2.03890679" z3="11.92971225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.48582326" y3="-2.59301938" z3="10.90239156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51509714" y3="-3.22700391" z3="10.20936485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51385989" y3="-4.18895734" z3="10.76059958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47782461" y3="-2.85186233" z3="10.21803172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.88771165" y3="-3.52277393" z3="8.75675791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.9038838" y3="-3.95885876" z3="8.71557544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.17037709" y3="-4.25066221" z3="8.33802044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73037008" y3="-1.8873888" z3="7.48598957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.65570022" y3="-0.15280593" z3="6.04149907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.22849258" y3="-0.12516452" z3="6.70686953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.83825934" y3="0.89468497" z3="5.72266138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25705342" y3="-0.98382013" z3="4.80745066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01684572" y3="-2.00522073" z3="5.15772985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67307761" y3="-0.56645592" z3="4.3707251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34563057" y3="-1.05792534" z3="3.73868238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52942964" y3="-0.04404148" z3="3.32607922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28556443" y3="-1.36733541" z3="4.22977969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.05033577" y3="-2.02457263" z3="2.58776526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.93128904" y3="-2.07105967" z3="1.91918524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.92436826" y3="-3.04342905" z3="3.00132789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1819357" y3="-1.66456957" z3="1.75770323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.1015832" y3="-0.63652745" z3="1.3575874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.10379155" y3="-1.71290474" z3="2.36226863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.30744052" y3="-2.35139551" z3="0.90079936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.68646784" y3="-2.49607239" z3="7.76076473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.84529038" y3="-0.65872635" z3="6.81259332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.84997313" y3="-0.35760856" z3="6.50417815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.94152584" y3="-2.37813212" z3="7.94801321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.51839699" y3="0.12061009" z3="11.5976069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.46820637" y3="0.33448126" z3="12.68021528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44067659" y3="0.58483485" z3="11.20670831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.62159811" y3="-0.9698132" z3="11.4718166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.71854629" y3="0.62737426" z3="10.86255065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.62362625" y3="0.14947612" z3="11.27142327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83938422" y3="1.71334062" z3="11.04457651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.673594" y3="0.35247003" z3="9.358938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46353327" y3="-0.72232958" z3="9.18756416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.16926327" y3="0.90481997" z3="8.89638532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.97891267" y3="0.76307089" z3="8.66633915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06915895" y3="0.63232524" z3="9.220147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.85212227" y3="1.54168492" z3="7.87116865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4428,-2.222,10.8841;-3.4257,-1.2584,10.3428;-3.1327,-2.0389,11.9297;-4.4858,-2.593,10.9024;-2.5151,-3.227,10.2094;-2.5139,-4.189,10.7606;-1.4778,-2.8519,10.218;-2.8877,-3.5228,8.7568;-3.9039,-3.9589,8.7156;-2.1704,-4.2507,8.338;-1.7304,-1.8874,7.486;-.6557,-.1528,6.0415;.2285,-.1252,6.7069;-.8383,.8947,5.7227;-.2571,-.9838,4.8075;-.0168,-2.0052,5.1577;.6731,-.5665,4.3707;-1.3456,-1.0579,3.7387;-1.5294,-.044,3.3261;-2.2856,-1.3673,4.2298;-1.0503,-2.0246,2.5878;-1.9313,-2.0711,1.9192;-.9244,-3.0434,3.0013;.1819,-1.6646,1.7577;.1016,-.6365,1.3576;1.1038,-1.7129,2.3623;.3074,-2.3514,.9008;-.6865,-2.4961,7.7608;-1.8453,-.6587,6.8126;-2.85,-.3576,6.5042;-2.9415,-2.3781,7.948;.5184,.1206,11.5976;.4682,.3345,12.6802;1.4407,.5848,11.2067;.6216,-.9698,11.4718;-.7185,.6274,10.8626;-1.6236,.1495,11.2714;-.8394,1.7133,11.0446;-.6736,.3525,9.3589;-.4635,-.7223,9.1876;.1693,.9048,8.8964;-1.9789,.7631,8.6663;-3.0692,.6323,9.2201;-1.8521,1.5417,7.8712;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604188132571</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003896179513 0.000776886606 0.025802251085 0.008705703767</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023740182 -0.001188267 0.000143464 0.000199784 0.000402888 0.000912112 0.001163184 0.001953748 0.002123171 0.002460768 0.002614584 0.003010508 0.004052226 0.004218895 0.005511711 0.005919068 0.006565785 0.007373047 0.009068337 0.010793016 0.012390447 0.015280586 0.019034987 0.021632715 0.022480874 0.024901925 0.029462604 0.030248384 0.031634252 0.032203821 0.033274489 0.034740233 0.037014656 0.039554629 0.040176935 0.044409553 0.046472708 0.046943258 0.051855637 0.052592652 0.054012160 0.055040538 0.057974846 0.059204346 0.064542641 0.067451194 0.068299236 0.071872850 0.076590922 0.077027890 0.077610438 0.079267166 0.081785088 0.082610185 0.088812025 0.096020025 0.099632678 0.100070126 0.104154735 0.106569702 0.109891255 0.112823393 0.115916442 0.130462195 0.132484084 0.135265775 0.139001207 0.146315944 0.152336352 0.157245158 0.161608814 0.165946427 0.169090863 0.172919888 0.178525035 0.182922229 0.187757897 0.194695493 0.200599305 0.207643968 0.217719066 0.227368110 0.240518721 0.254160134 0.269758537 0.290842727 0.309748369 0.343082802 0.396267806 0.414933642 0.429658099 0.475924881 0.538551213 0.561522387 0.588630291 0.607332008 0.662636784 0.687508263 0.734541213 0.751690986 0.757411662 0.768247517 0.772811972 0.778366527 0.782088388 0.796798922 0.802704380 0.818617309 0.819630045 0.834044156 0.846985900 0.852354701 0.867026469 0.874010639 0.888305655 0.891272687 0.897191349 0.910237326 0.918372844 0.928848045 0.933366013 0.945291749 0.978441296 1.009130812 1.459268108 1.549826490</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="-3.45118199" y3="-2.22856858" z3="10.8726341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42839211" y3="-1.26372179" z3="10.33416756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.15260922" y3="-2.04850973" z3="11.92208764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.49432829" y3="-2.59922434" z3="10.87828942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51647741" y3="-3.23160123" z3="10.205051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51678404" y3="-4.19352392" z3="10.75666956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.48001652" y3="-2.85353092" z3="10.22124081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.87803306" y3="-3.52821117" z3="8.74991105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.89142563" y3="-3.97015932" z3="8.70212825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.15380621" y3="-4.25134203" z3="8.33514692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72171029" y3="-1.88878837" z3="7.48318731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.65041346" y3="-0.14958822" z3="6.04111759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.23521614" y3="-0.12399399" z3="6.70439688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.8342408" y3="0.89888395" z3="5.72619794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25501716" y3="-0.97642084" z3="4.8033673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01310483" y3="-1.99832722" z3="5.15018468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67316333" y3="-0.55726609" z3="4.36443922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34690405" y3="-1.04866935" z3="3.73823581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52646455" y3="-0.03566376" z3="3.32202566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28693589" y3="-1.35120275" z3="4.23338434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.06037128" y3="-2.02225089" z3="2.59092895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.94231491" y3="-2.06475561" z3="1.92338025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.94209716" y3="-3.04021025" z3="3.00908471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.17401204" y3="-1.67624963" z3="1.75807502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10045696" y3="-0.64978965" z3="1.35095535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.09596278" y3="-1.72703853" z3="2.3633885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.29450648" y3="-2.37021592" z3="0.90532077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.67757638" y3="-2.49688107" z3="7.75740474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.83789781" y3="-0.65886391" z3="6.81299724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.84347935" y3="-0.35802903" z3="6.50625695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.9329512" y3="-2.38303773" z3="7.94223966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.52050512" y3="0.13042673" z3="11.60425871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.47293517" y3="0.35237178" z3="12.68780149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44385106" y3="0.5919741" z3="11.20378816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.62362516" y3="-0.96450333" z3="11.48719229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.71798339" y3="0.6396705" z3="10.8694761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.62430475" y3="0.16855256" z3="11.28875299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83401494" y3="1.72812699" z3="11.0376991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67672691" y3="0.34619937" z3="9.36896337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47872105" y3="-0.7307855" z3="9.21336641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17047502" y3="0.87915241" z3="8.89883943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.97648384" y3="0.76093788" z3="8.67217558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06979106" y3="0.6339883" z3="9.21408742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.84051153" y3="1.54002743" z3="7.88207661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4512,-2.2286,10.8726;-3.4284,-1.2637,10.3342;-3.1526,-2.0485,11.9221;-4.4943,-2.5992,10.8783;-2.5165,-3.2316,10.2051;-2.5168,-4.1935,10.7567;-1.48,-2.8535,10.2212;-2.878,-3.5282,8.7499;-3.8914,-3.9702,8.7021;-2.1538,-4.2513,8.3351;-1.7217,-1.8888,7.4832;-.6504,-.1496,6.0411;.2352,-.124,6.7044;-.8342,.8989,5.7262;-.255,-.9764,4.8034;-.0131,-1.9983,5.1502;.6732,-.5573,4.3644;-1.3469,-1.0487,3.7382;-1.5265,-.0357,3.322;-2.2869,-1.3512,4.2334;-1.0604,-2.0223,2.5909;-1.9423,-2.0648,1.9234;-.9421,-3.0402,3.0091;.174,-1.6762,1.7581;.1005,-.6498,1.351;1.096,-1.727,2.3634;.2945,-2.3702,.9053;-.6776,-2.4969,7.7574;-1.8379,-.6589,6.813;-2.8435,-.358,6.5063;-2.933,-2.383,7.9422;.5205,.1304,11.6043;.4729,.3524,12.6878;1.4439,.592,11.2038;.6236,-.9645,11.4872;-.718,.6397,10.8695;-1.6243,.1686,11.2888;-.834,1.7281,11.0377;-.6767,.3462,9.369;-.4787,-.7308,9.2134;.1705,.8792,8.8988;-1.9765,.7609,8.6722;-3.0698,.634,9.2141;-1.8405,1.54,7.8821;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604214791966</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004968425975 0.000650026419 0.024962505203 0.008705319307</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023627684 -0.000616915 0.000141556 0.000258033 0.000396869 0.000842352 0.001207717 0.001947454 0.002135826 0.002455160 0.002618867 0.003010919 0.004150279 0.004219807 0.005513024 0.005914986 0.006635501 0.007398928 0.009068282 0.010828758 0.012418474 0.015302671 0.019036848 0.021634296 0.022496626 0.024915398 0.029470597 0.030279629 0.031636722 0.032372070 0.033274195 0.034753592 0.037020159 0.039785169 0.040188181 0.044423018 0.046472867 0.046946022 0.051855540 0.052591939 0.054014031 0.055047038 0.057973595 0.059207437 0.064542975 0.067451325 0.068317986 0.071920903 0.076593349 0.077030077 0.077607886 0.079272895 0.081784976 0.082611625 0.088811728 0.096181046 0.099632805 0.100073658 0.104166207 0.106570907 0.109893095 0.112823203 0.115919012 0.130469234 0.132629058 0.135269563 0.139009071 0.146315781 0.152346376 0.157246133 0.161641734 0.165941185 0.169089732 0.172921899 0.178525720 0.182945684 0.187767044 0.194695406 0.200700865 0.207688418 0.217779402 0.227697563 0.241010736 0.254177217 0.269816096 0.290857525 0.309780394 0.343114971 0.396892488 0.415046865 0.429666534 0.475928760 0.538552027 0.561558263 0.588646946 0.607335512 0.662637228 0.687556349 0.734540470 0.751699979 0.757416222 0.768261629 0.772816864 0.778366383 0.782092090 0.796801095 0.802728677 0.818618933 0.819632408 0.834131745 0.846986650 0.852356254 0.867032525 0.874175864 0.888311088 0.891274362 0.897192883 0.910259823 0.918373146 0.928923453 0.933375364 0.945434522 0.978471288 1.009143316 1.461197495 1.550265320</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="-3.45861024" y3="-2.22977205" z3="10.8657199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43433093" y3="-1.26486043" z3="10.3269832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.17031867" y3="-2.04786477" z3="11.91800386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50084708" y3="-2.60461462" z3="10.86211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.513613" y3="-3.2302549" z3="10.20727338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51269831" y3="-4.19070428" z3="10.76148595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47892084" y3="-2.84729" z3="10.23024883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.86378424" y3="-3.53310514" z3="8.75040106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.87412922" y3="-3.98172671" z3="8.69713213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13195577" y3="-4.25249925" z3="8.3418376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71045183" y3="-1.89197975" z3="7.48290533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.64522928" y3="-0.14949344" z3="6.03936919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.24261693" y3="-0.12562853" z3="6.70053833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.83044389" y3="0.90026799" z3="5.72798945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25319939" y3="-0.97250137" z3="4.79709283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.00969013" y3="-1.995957" z3="5.13943033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67374258" y3="-0.55179947" z3="4.3567278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34848983" y3="-1.04052024" z3="3.73454772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5236032" y3="-0.02694835" z3="3.31752517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28889019" y3="-1.33733696" z3="4.23236094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.07133417" y3="-2.01666005" z3="2.58736288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.95352948" y3="-2.04948469" z3="1.92011756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.96405376" y3="-3.03559963" z3="3.00487323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.16685191" y3="-1.68370701" z3="1.75487744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10866609" y3="-0.65548524" z3="1.35497142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08779882" y3="-1.75200104" z3="2.35680369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.27593099" y3="-2.37233639" z3="0.89865705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.66501734" y3="-2.49709735" z3="7.75755679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.83043408" y3="-0.66129701" z3="6.81358155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.83710265" y3="-0.36465276" z3="6.50640862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.92088906" y3="-2.38989454" z3="7.94012189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.51271803" y3="0.13477922" z3="11.61628982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.46525055" y3="0.36819217" z3="12.69633354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44168693" y3="0.58161977" z3="11.2165041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.60169238" y3="-0.96083594" z3="11.50885947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.71614953" y3="0.64794524" z3="10.87134761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.62832934" y3="0.19178116" z3="11.29072775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.81986301" y3="1.73918818" z3="11.03022848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67620518" y3="0.33909762" z3="9.37390576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4891958" y3="-0.74092208" z3="9.22942932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17680436" y3="0.86016751" z3="8.89983245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.97370298" y3="0.75641883" z3="8.67277044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0684832" y3="0.62702789" z3="9.21876298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.83862571" y3="1.53773273" z3="7.882366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4586,-2.2298,10.8657;-3.4343,-1.2649,10.327;-3.1703,-2.0479,11.918;-4.5008,-2.6046,10.8621;-2.5136,-3.2303,10.2073;-2.5127,-4.1907,10.7615;-1.4789,-2.8473,10.2302;-2.8638,-3.5331,8.7504;-3.8741,-3.9817,8.6971;-2.132,-4.2525,8.3418;-1.7105,-1.892,7.4829;-.6452,-.1495,6.0394;.2426,-.1256,6.7005;-.8304,.9003,5.728;-.2532,-.9725,4.7971;-.0097,-1.996,5.1394;.6737,-.5518,4.3567;-1.3485,-1.0405,3.7345;-1.5236,-.0269,3.3175;-2.2889,-1.3373,4.2324;-1.0713,-2.0167,2.5874;-1.9535,-2.0495,1.9201;-.9641,-3.0356,3.0049;.1669,-1.6837,1.7549;.1087,-.6555,1.355;1.0878,-1.752,2.3568;.2759,-2.3723,.8987;-.665,-2.4971,7.7576;-1.8304,-.6613,6.8136;-2.8371,-.3647,6.5064;-2.9209,-2.3899,7.9401;.5127,.1348,11.6163;.4653,.3682,12.6963;1.4417,.5816,11.2165;.6017,-.9608,11.5089;-.7161,.6479,10.8713;-1.6283,.1918,11.2907;-.8199,1.7392,11.0302;-.6762,.3391,9.3739;-.4892,-.7409,9.2294;.1768,.8602,8.8998;-1.9737,.7564,8.6728;-3.0685,.627,9.2188;-1.8386,1.5377,7.8824;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604226864560</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005033048798 0.000637259377 0.024774994873 0.008702244443</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023559903 -0.001005834 0.000200324 0.000291938 0.000400341 0.000802113 0.001456065 0.001948500 0.002206421 0.002454993 0.002624502 0.003045466 0.004200951 0.004431384 0.005521668 0.005928217 0.006745204 0.007439046 0.009067232 0.010881628 0.012433767 0.015303454 0.019037917 0.021634125 0.022515211 0.024936000 0.029472430 0.030298459 0.031636231 0.032421564 0.033274318 0.034764236 0.037024648 0.039993083 0.040224558 0.044443946 0.046472602 0.046948439 0.051855460 0.052592653 0.054023892 0.055047187 0.057974613 0.059209452 0.064542897 0.067454043 0.068327070 0.071953378 0.076610862 0.077044789 0.077609418 0.079272889 0.081785730 0.082613552 0.088814999 0.096186870 0.099632875 0.100074075 0.104184240 0.106574717 0.109893045 0.112823295 0.115919643 0.130475206 0.132707595 0.135274646 0.139019339 0.146315675 0.152348806 0.157252583 0.161643934 0.165942146 0.169089619 0.172929275 0.178525703 0.182995441 0.187779857 0.194715884 0.200806668 0.207729794 0.217809569 0.228063598 0.241096566 0.254193406 0.269882363 0.290918924 0.309795356 0.343233319 0.397000899 0.415168130 0.429705394 0.475965217 0.538565084 0.561561059 0.588725799 0.607345295 0.662637664 0.687633512 0.734548953 0.751732234 0.757443442 0.768276604 0.772860163 0.778368818 0.782136395 0.796802227 0.802794025 0.818622956 0.819632879 0.834183134 0.846986912 0.852357877 0.867043210 0.874178455 0.888313700 0.891283611 0.897203954 0.910260749 0.918377618 0.928951948 0.933376395 0.945472431 0.978474182 1.009149452 1.462813567 1.550620603</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="-3.4633745" y3="-2.22629125" z3="10.86160662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43755294" y3="-1.26368985" z3="10.3193818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.18434947" y3="-2.03938267" z3="11.91529355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50405313" y3="-2.60400943" z3="10.85069503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51073576" y3="-3.22654717" z3="10.21491917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51092793" y3="-4.18413027" z3="10.77344834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47775108" y3="-2.84014578" z3="10.24443703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.84945718" y3="-3.53720986" z3="8.7571037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.85670901" y3="-3.99179903" z3="8.69936112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.11108523" y3="-4.25375589" z3="8.35598986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69818591" y3="-1.89773643" z3="7.48507713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.63654343" y3="-0.15591868" z3="6.03896239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.25300945" y3="-0.14112209" z3="6.69642835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.81730844" y3="0.8959658" z3="5.73504587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25296011" y3="-0.97296247" z3="4.79074104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01396955" y3="-1.99916387" z3="5.12615891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67480709" y3="-0.55491938" z3="4.35022185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3502762" y3="-1.0302847" z3="3.73012531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51887859" y3="-0.01499821" z3="3.31539061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29207621" y3="-1.32176398" z3="4.22842361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08100345" y3="-2.00777665" z3="2.58149683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.96498891" y3="-2.03658825" z3="1.91473647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.97808954" y3="-3.02794918" z3="2.99962327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.15759795" y3="-1.68216983" z3="1.74703232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09530049" y3="-0.65573869" z3="1.33019642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08013486" y3="-1.73910305" z3="2.35615398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.27014451" y3="-2.38734059" z3="0.89856384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.65219605" y3="-2.50109418" z3="7.76030685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.82013888" y3="-0.66725761" z3="6.81539758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.82744313" y3="-0.37336795" z3="6.50743937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.90796897" y3="-2.39728185" z3="7.94236191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50254586" y3="0.13490719" z3="11.625384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.45224408" y3="0.37520851" z3="12.703853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4359233" y3="0.57248547" z3="11.22491558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58604219" y3="-0.96234589" z3="11.52640634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.72232679" y3="0.65236494" z3="10.87441087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.63919809" y3="0.20562233" z3="11.29472113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.81909327" y3="1.74548779" z3="11.02461129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67858098" y3="0.33246533" z3="9.37880503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49575796" y3="-0.75026691" z3="9.24293932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17862703" y3="0.84500282" z3="8.90243028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9696565" y3="0.75215935" z3="8.66873952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06833728" y3="0.62949282" z3="9.20238941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.82376414" y3="1.53233658" z3="7.88064696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4634,-2.2263,10.8616;-3.4376,-1.2637,10.3194;-3.1843,-2.0394,11.9153;-4.5041,-2.604,10.8507;-2.5107,-3.2265,10.2149;-2.5109,-4.1841,10.7734;-1.4778,-2.8401,10.2444;-2.8495,-3.5372,8.7571;-3.8567,-3.9918,8.6994;-2.1111,-4.2538,8.356;-1.6982,-1.8977,7.4851;-.6365,-.1559,6.039;.253,-.1411,6.6964;-.8173,.896,5.735;-.253,-.973,4.7907;-.014,-1.9992,5.1262;.6748,-.5549,4.3502;-1.3503,-1.0303,3.7301;-1.5189,-.015,3.3154;-2.2921,-1.3218,4.2284;-1.081,-2.0078,2.5815;-1.965,-2.0366,1.9147;-.9781,-3.0279,2.9996;.1576,-1.6822,1.747;.0953,-.6557,1.3302;1.0801,-1.7391,2.3562;.2701,-2.3873,.8986;-.6522,-2.5011,7.7603;-1.8201,-.6673,6.8154;-2.8274,-.3734,6.5074;-2.908,-2.3973,7.9424;.5025,.1349,11.6254;.4522,.3752,12.7039;1.4359,.5725,11.2249;.586,-.9623,11.5264;-.7223,.6524,10.8744;-1.6392,.2056,11.2947;-.8191,1.7455,11.0246;-.6786,.3325,9.3788;-.4958,-.7503,9.2429;.1786,.845,8.9024;-1.9697,.7522,8.6687;-3.0683,.6295,9.2024;-1.8238,1.5323,7.8806;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604220376578</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003552373292 0.000855354534 0.027078142533 0.008704477841</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023538069 -0.001907700 0.000200212 0.000328167 0.000441824 0.000797923 0.001725049 0.001964008 0.002363045 0.002503207 0.002664486 0.003450994 0.004200662 0.005366627 0.005526472 0.005929802 0.006859140 0.007526374 0.009072183 0.010895984 0.012440047 0.015309171 0.019038189 0.021635018 0.022529617 0.024948901 0.029472801 0.030305153 0.031639411 0.032414640 0.033280015 0.034767084 0.037023039 0.040069684 0.040281412 0.044456649 0.046472921 0.046950153 0.051856859 0.052601728 0.054029650 0.055047152 0.057979065 0.059210464 0.064545397 0.067456815 0.068329659 0.071972948 0.076614252 0.077062578 0.077614180 0.079274720 0.081784081 0.082617635 0.088814271 0.096191064 0.099632851 0.100074530 0.104200161 0.106577010 0.109893193 0.112824120 0.115920362 0.130480895 0.132719827 0.135280915 0.139056882 0.146322547 0.152350191 0.157261247 0.161658159 0.165941172 0.169096463 0.173015847 0.178527573 0.183069721 0.187787704 0.194941808 0.201095309 0.207812586 0.217862588 0.228585258 0.241093113 0.254314666 0.269931793 0.291308181 0.309845633 0.343784528 0.396998571 0.415689103 0.429902772 0.476212877 0.538727879 0.561601333 0.589086832 0.607505467 0.662638634 0.687642195 0.734579280 0.751988699 0.757572116 0.768281281 0.773094781 0.778404929 0.782409563 0.796805710 0.803293798 0.818661516 0.819646084 0.834202461 0.846989134 0.852360856 0.867078637 0.874192198 0.888317883 0.891326062 0.897232549 0.910261076 0.918378862 0.928970405 0.933376926 0.945476658 0.978486659 1.009169108 1.463656907 1.550898402</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="-3.46473614" y3="-2.22139439" z3="10.85954057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43825116" y3="-1.26077238" z3="10.31352093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19196703" y3="-2.02937616" z3="11.91415073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50465514" y3="-2.60180676" z3="10.84419645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50581113" y3="-3.22233143" z3="10.22199892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50515587" y3="-4.17778718" z3="10.78520361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47363357" y3="-2.83224362" z3="10.25438709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83745221" y3="-3.54082224" z3="8.76391375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84263411" y3="-4.00020842" z3="8.70382666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09392486" y3="-4.2556632" z3="8.36872245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68811714" y3="-1.90344774" z3="7.4873866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.62840009" y3="-0.16275047" z3="6.03807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.26305649" y3="-0.15110633" z3="6.69484592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.80856488" y3="0.89116277" z3="5.73709226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2496455" y3="-0.9769691" z3="4.78564372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01228457" y3="-2.00582697" z3="5.11634418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67830068" y3="-0.55947038" z3="4.34418976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35023741" y3="-1.02648589" z3="3.72723144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51420888" y3="-0.00897522" z3="3.31518229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29272766" y3="-1.31402841" z3="4.22659847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08957156" y3="-2.00104073" z3="2.57498189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.97446533" y3="-2.01940629" z3="1.91080633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99426037" y3="-3.02311164" z3="2.98754965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.15008557" y3="-1.68036399" z3="1.73998839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10611705" y3="-0.65064634" z3="1.34855752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07162726" y3="-1.76618119" z3="2.33520151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.24499347" y3="-2.36221354" z3="0.88013521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.64147527" y3="-2.50438985" z3="7.76511988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.81154223" y3="-0.6739512" z3="6.81555234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.81911447" y3="-0.38252478" z3="6.50606276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.89750949" y3="-2.4040792" z3="7.94440804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48920871" y3="0.13534939" z3="11.63384654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.43697423" y3="0.38032215" z3="12.71114133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.42715526" y3="0.5657646" z3="11.2342483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.56682719" y3="-0.96380508" z3="11.5393866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.72892766" y3="0.65739298" z3="10.87507658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65029594" y3="0.21810571" z3="11.29462021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.81975338" y3="1.75196982" z3="11.01895783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68055949" y3="0.32866434" z3="9.38199503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50120052" y3="-0.75553882" z3="9.25387364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1811504" y3="0.83406139" z3="8.90644904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96717622" y3="0.74876753" z3="8.66354455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06915664" y3="0.62838944" z3="9.19403494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81644219" y3="1.52815615" z3="7.87478897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4647,-2.2214,10.8595;-3.4383,-1.2608,10.3135;-3.192,-2.0294,11.9142;-4.5047,-2.6018,10.8442;-2.5058,-3.2223,10.222;-2.5052,-4.1778,10.7852;-1.4736,-2.8322,10.2544;-2.8375,-3.5408,8.7639;-3.8426,-4.0002,8.7038;-2.0939,-4.2557,8.3687;-1.6881,-1.9034,7.4874;-.6284,-.1628,6.0381;.2631,-.1511,6.6948;-.8086,.8912,5.7371;-.2496,-.977,4.7856;-.0123,-2.0058,5.1163;.6783,-.5595,4.3442;-1.3502,-1.0265,3.7272;-1.5142,-.009,3.3152;-2.2927,-1.314,4.2266;-1.0896,-2.001,2.575;-1.9745,-2.0194,1.9108;-.9943,-3.0231,2.9875;.1501,-1.6804,1.74;.1061,-.6506,1.3486;1.0716,-1.7662,2.3352;.245,-2.3622,.8801;-.6415,-2.5044,7.7651;-1.8115,-.674,6.8156;-2.8191,-.3825,6.5061;-2.8975,-2.4041,7.9444;.4892,.1353,11.6338;.437,.3803,12.7111;1.4272,.5658,11.2342;.5668,-.9638,11.5394;-.7289,.6574,10.8751;-1.6503,.2181,11.2946;-.8198,1.752,11.019;-.6806,.3287,9.382;-.5012,-.7555,9.2539;.1812,.8341,8.9064;-1.9672,.7488,8.6635;-3.0692,.6284,9.194;-1.8164,1.5282,7.8748;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604230027689</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002952859539 0.000792976497 0.027870912157 0.008701026026</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023541620 -0.001273060 0.000201713 0.000356388 0.000456719 0.000799488 0.001748950 0.001970846 0.002368973 0.002498333 0.002676834 0.003764760 0.004200747 0.005518127 0.005823345 0.006435579 0.007061564 0.007538370 0.009069059 0.010895272 0.012439154 0.015332412 0.019039098 0.021636404 0.022526850 0.024949855 0.029480595 0.030305511 0.031644288 0.032418639 0.033296367 0.034767361 0.037023761 0.040062019 0.040270809 0.044458930 0.046473364 0.046951218 0.051863280 0.052608026 0.054034169 0.055048512 0.057982919 0.059212965 0.064548643 0.067457571 0.068340900 0.071971417 0.076628763 0.077062045 0.077613941 0.079278233 0.081784548 0.082619948 0.088814422 0.096215159 0.099633020 0.100076125 0.104202739 0.106577298 0.109893253 0.112824684 0.115920426 0.130483642 0.132719278 0.135281582 0.139121827 0.146348891 0.152352338 0.157267722 0.161663062 0.165955541 0.169115099 0.173220757 0.178539689 0.183194520 0.187815183 0.195236309 0.201381139 0.207848207 0.218325553 0.228778848 0.241188850 0.254483202 0.270030303 0.291896655 0.309908517 0.344617291 0.397165858 0.416544878 0.430267784 0.476837727 0.539110400 0.561607872 0.589845924 0.607842634 0.662639527 0.687681307 0.734610523 0.752374736 0.757763427 0.768290001 0.773427088 0.778470612 0.782934879 0.796805814 0.804147820 0.818733999 0.819653221 0.834207768 0.846989140 0.852384951 0.867123871 0.874212414 0.888327003 0.891327256 0.897273011 0.910261665 0.918381043 0.929019231 0.933377623 0.945493204 0.978486331 1.009182382 1.463663859 1.550903837</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="-3.46341766" y3="-2.21450429" z3="10.86105755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43801011" y3="-1.25646852" z3="10.31020165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19425753" y3="-2.01641578" z3="11.91538702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50221351" y3="-2.59796073" z3="10.84490776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50004061" y3="-3.21608228" z3="10.23144046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49775969" y3="-4.16813337" z3="10.80035823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46910295" y3="-2.82292721" z3="10.26362475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82773448" y3="-3.54414529" z3="8.77466135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83148339" y3="-4.00639583" z3="8.71525633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08174678" y3="-4.25927209" z3="8.38524922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67970469" y3="-1.91167969" z3="7.49094879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.62075277" y3="-0.1743392" z3="6.03751677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.27110348" y3="-0.17005774" z3="6.6928992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.79651271" y3="0.88135127" z3="5.74162593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24744829" y3="-0.98364859" z3="4.78040921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01429809" y3="-2.01539129" z3="5.10433907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.68191271" y3="-0.56831677" z3="4.34002548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35010689" y3="-1.02116733" z3="3.72394129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51004396" y3="-0.00043504" z3="3.31974758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29272863" y3="-1.30792264" z3="4.22342516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09726645" y3="-1.98921537" z3="2.56475884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98306607" y3="-1.99765542" z3="1.90131031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00831007" y3="-3.01456624" z3="2.97071655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1434153" y3="-1.67260412" z3="1.73002291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09927478" y3="-0.64007968" z3="1.33071215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06625655" y3="-1.75683221" z3="2.33243861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.23983081" y3="-2.36442992" z3="0.87039579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.63264463" y3="-2.51026223" z3="7.77154235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.80420824" y3="-0.68419077" z3="6.81525141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.81183434" y3="-0.39541992" z3="6.50359243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88879753" y3="-2.4123337" z3="7.94843573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47259456" y3="0.1321052" z3="11.6435761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41469842" y3="0.380475" z3="12.71982504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4172973" y3="0.55292266" z3="11.25122609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.53895628" y3="-0.96718869" z3="11.5514989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73382485" y3="0.66157733" z3="10.87303648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66157952" y3="0.23106055" z3="11.28587838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.81534363" y3="1.7567459" z3="11.01414496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.6790081" y3="0.32763129" z3="9.38102577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50115654" y3="-0.75647487" z3="9.25910359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18536707" y3="0.82892184" z3="8.90706604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96428378" y3="0.74489114" z3="8.65711211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06770098" y3="0.62633877" z3="9.18702041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81268156" y3="1.52188316" z3="7.86565913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4634,-2.2145,10.8611;-3.438,-1.2565,10.3102;-3.1943,-2.0164,11.9154;-4.5022,-2.598,10.8449;-2.5,-3.2161,10.2314;-2.4978,-4.1681,10.8004;-1.4691,-2.8229,10.2636;-2.8277,-3.5441,8.7747;-3.8315,-4.0064,8.7153;-2.0817,-4.2593,8.3852;-1.6797,-1.9117,7.4909;-.6208,-.1743,6.0375;.2711,-.1701,6.6929;-.7965,.8814,5.7416;-.2474,-.9836,4.7804;-.0143,-2.0154,5.1043;.6819,-.5683,4.34;-1.3501,-1.0212,3.7239;-1.51,-.0004,3.3197;-2.2927,-1.3079,4.2234;-1.0973,-1.9892,2.5648;-1.9831,-1.9977,1.9013;-1.0083,-3.0146,2.9707;.1434,-1.6726,1.73;.0993,-.6401,1.3307;1.0663,-1.7568,2.3324;.2398,-2.3644,.8704;-.6326,-2.5103,7.7715;-1.8042,-.6842,6.8153;-2.8118,-.3954,6.5036;-2.8888,-2.4123,7.9484;.4726,.1321,11.6436;.4147,.3805,12.7198;1.4173,.5529,11.2512;.539,-.9672,11.5515;-.7338,.6616,10.873;-1.6616,.2311,11.2859;-.8153,1.7567,11.0141;-.679,.3276,9.381;-.5012,-.7565,9.2591;.1854,.8289,8.9071;-1.9643,.7449,8.6571;-3.0677,.6263,9.187;-1.8127,1.5219,7.8657;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604257140906</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002262710315 0.000504228092 0.028863081410 0.008708710571</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023542103 -0.000495250 0.000224215 0.000347736 0.000460667 0.000800183 0.001748617 0.001970887 0.002369538 0.002498994 0.002678595 0.003877768 0.004201192 0.005545953 0.005822900 0.006744239 0.007295305 0.007548185 0.009068318 0.010920785 0.012449256 0.015331723 0.019046400 0.021636268 0.022540227 0.024951651 0.029487292 0.030306572 0.031646077 0.032418863 0.033304714 0.034776296 0.037024496 0.040072653 0.040287880 0.044460265 0.046473574 0.046952068 0.051862772 0.052609047 0.054035093 0.055046913 0.057985979 0.059212674 0.064558905 0.067458014 0.068341444 0.071984466 0.076667539 0.077085532 0.077629842 0.079278515 0.081788988 0.082644669 0.088814470 0.096220367 0.099633246 0.100076187 0.104225124 0.106581200 0.109893356 0.112825465 0.115920756 0.130484040 0.132731112 0.135286394 0.139153013 0.146370147 0.152352492 0.157276139 0.161682017 0.165984379 0.169141846 0.173328439 0.178557287 0.183225170 0.187827997 0.195299907 0.201416883 0.207856973 0.218753746 0.228785749 0.241241553 0.254491484 0.270062439 0.292077496 0.309916096 0.344750980 0.397275651 0.416947490 0.430520506 0.477347847 0.539255280 0.561635159 0.590240743 0.608035135 0.662640064 0.687704574 0.734611487 0.752470554 0.757839727 0.768290655 0.773526302 0.778504433 0.783180967 0.796805817 0.804444066 0.818765630 0.819656058 0.834252040 0.846989600 0.852431519 0.867126033 0.874247669 0.888387599 0.891349402 0.897273080 0.910266647 0.918382413 0.929045295 0.933380776 0.945495123 0.978486626 1.009183857 1.464225539 1.551051609</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="-3.45865768" y3="-2.20578661" z3="10.86543176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43476983" y3="-1.25176834" z3="10.3078211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.18835062" y3="-2.00003725" z3="11.91796556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.4971368" y3="-2.58989569" z3="10.8530436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49569919" y3="-3.2112619" z3="10.24194887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49559662" y3="-4.16020398" z3="10.81528746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46465602" y3="-2.81936539" z3="10.27407617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82173819" y3="-3.54601254" z3="8.78642682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82550443" y3="-4.00826756" z3="8.72836814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07561206" y3="-4.26325588" z3="8.40110408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67246343" y3="-1.91936368" z3="7.49576184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.61217363" y3="-0.18767219" z3="6.03777676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.28022444" y3="-0.19189961" z3="6.69199575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.78157256" y3="0.87020503" z3="5.74642608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24623103" y3="-0.99407129" z3="4.7770299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02054786" y3="-2.02875134" z3="5.09692455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.68542769" y3="-0.5838898" z3="4.33704365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3497265" y3="-1.01997675" z3="3.72082169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50636955" y3="0.00442421" z3="3.32313103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2932703" y3="-1.30632801" z3="4.21869904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10010839" y3="-1.98174844" z3="2.55452589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98800484" y3="-1.98632715" z3="1.89242517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00964915" y3="-3.01027743" z3="2.95425013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13839245" y3="-1.65867054" z3="1.71914808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09650518" y3="-0.62262167" z3="1.33615616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06296543" y3="-1.75378206" z3="2.31367605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22745291" y3="-2.33556683" z3="0.85107639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62572044" y3="-2.51720064" z3="7.77875586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79663998" y3="-0.69437637" z3="6.81551251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.80396945" y3="-0.4068114" z3="6.5015905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88193125" y3="-2.41805692" z3="7.95506941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.45936292" y3="0.13050271" z3="11.64813839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39620621" y3="0.38210784" z3="12.72292989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40745519" y3="0.54544959" z3="11.25831013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.52347601" y3="-0.96906929" z3="11.56124001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7439156" y3="0.66267667" z3="10.87263752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.67514491" y3="0.23747676" z3="11.28324909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.82365414" y3="1.75902719" z3="11.0096173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68321419" y3="0.32496355" z3="9.38196311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50663111" y3="-0.76046305" z3="9.2613225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18410549" y3="0.82479223" z3="8.91009326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96169636" y3="0.74343683" z3="8.64875879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06833258" y3="0.63158317" z3="9.16961886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.801247" y3="1.51552116" z3="7.85522399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4587,-2.2058,10.8654;-3.4348,-1.2518,10.3078;-3.1884,-2,11.918;-4.4971,-2.5899,10.853;-2.4957,-3.2113,10.2419;-2.4956,-4.1602,10.8153;-1.4647,-2.8194,10.2741;-2.8217,-3.546,8.7864;-3.8255,-4.0083,8.7284;-2.0756,-4.2633,8.4011;-1.6725,-1.9194,7.4958;-.6122,-.1877,6.0378;.2802,-.1919,6.692;-.7816,.8702,5.7464;-.2462,-.9941,4.777;-.0205,-2.0288,5.0969;.6854,-.5839,4.337;-1.3497,-1.02,3.7208;-1.5064,.0044,3.3231;-2.2933,-1.3063,4.2187;-1.1001,-1.9817,2.5545;-1.988,-1.9863,1.8924;-1.0096,-3.0103,2.9543;.1384,-1.6587,1.7191;.0965,-.6226,1.3362;1.063,-1.7538,2.3137;.2275,-2.3356,.8511;-.6257,-2.5172,7.7788;-1.7966,-.6944,6.8155;-2.804,-.4068,6.5016;-2.8819,-2.4181,7.9551;.4594,.1305,11.6481;.3962,.3821,12.7229;1.4075,.5454,11.2583;.5235,-.9691,11.5612;-.7439,.6627,10.8726;-1.6751,.2375,11.2832;-.8237,1.759,11.0096;-.6832,.325,9.382;-.5066,-.7605,9.2613;.1841,.8248,8.9101;-1.9617,.7434,8.6488;-3.0683,.6316,9.1696;-1.8012,1.5155,7.8552;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604268988664</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002171626286 0.000369724558 0.025279388342 0.008703536619</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023542637 -0.000354629 0.000230774 0.000337634 0.000455666 0.000800515 0.001748472 0.001974464 0.002369592 0.002505952 0.002680909 0.003924418 0.004202712 0.005622895 0.005835592 0.006818897 0.007368435 0.007745694 0.009068317 0.010947754 0.012460026 0.015335798 0.019056209 0.021637926 0.022562436 0.024956747 0.029487424 0.030307408 0.031646290 0.032420869 0.033303119 0.034791551 0.037025317 0.040080111 0.040301636 0.044461452 0.046474040 0.046954973 0.051864641 0.052622747 0.054036035 0.055046676 0.057988977 0.059213189 0.064561728 0.067459074 0.068347056 0.072002581 0.076693010 0.077125843 0.077659054 0.079280751 0.081794785 0.082710649 0.088815393 0.096225952 0.099633210 0.100076450 0.104241507 0.106584246 0.109895357 0.112828347 0.115920908 0.130487342 0.132735186 0.135299734 0.139170584 0.146380723 0.152352855 0.157279036 0.161753977 0.166009363 0.169160270 0.173379680 0.178581686 0.183240489 0.187831074 0.195306109 0.201415947 0.207858955 0.218897903 0.228842338 0.241248944 0.254494022 0.270090030 0.292077719 0.309918678 0.344753750 0.397310664 0.417051161 0.430600780 0.477541041 0.539275199 0.561735211 0.590342868 0.608075236 0.662643542 0.687709496 0.734617699 0.752472670 0.757841781 0.768304567 0.773526792 0.778508547 0.783194108 0.796812157 0.804450474 0.818765922 0.819656940 0.834318176 0.846990861 0.852453805 0.867126101 0.874322300 0.888395142 0.891401088 0.897294796 0.910266896 0.918395723 0.929050631 0.933382793 0.945520484 0.978498150 1.009187958 1.464742435 1.551274656</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="-3.45471637" y3="-2.19899572" z3="10.87083976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43086697" y3="-1.24752133" z3="10.30878971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.18248775" y3="-1.98841135" z3="11.9220252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.49369204" y3="-2.5824005" z3="10.86203515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49303262" y3="-3.20786233" z3="10.25004483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49101158" y3="-4.15481872" z3="10.82803926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46136644" y3="-2.81515835" z3="10.27755208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82238485" y3="-3.54903437" z3="8.79650285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82720804" y3="-4.00987287" z3="8.74190111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07788405" y3="-4.26938869" z3="8.41352714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67126209" y3="-1.92896406" z3="7.50017484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.60533999" y3="-0.20409332" z3="6.03869357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.28669401" y3="-0.21284671" z3="6.69440707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.77047545" y3="0.85545983" z3="5.74839641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24229271" y3="-1.0094557" z3="4.77582693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0221891" y3="-2.04675879" z3="5.09180406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69195061" y3="-0.60236731" z3="4.33786991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34650896" y3="-1.02359214" z3="3.72038708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50109594" y3="0.0050919" z3="3.33473337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29020778" y3="-1.3130405" z3="4.21630594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10173321" y3="-1.97125134" z3="2.54322976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99121296" y3="-1.96513701" z3="1.88533383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01304797" y3="-3.00399491" z3="2.92897074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13454545" y3="-1.64086131" z3="1.70713708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08991234" y3="-0.60172614" z3="1.32937383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06070344" y3="-1.73832268" z3="2.30011346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22360763" y3="-2.31429337" z3="0.8343386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62526797" y3="-2.52614173" z3="7.78808534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79269229" y3="-0.70669404" z3="6.81467817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79879519" y3="-0.41845281" z3="6.49778977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88163874" y3="-2.42477999" z3="7.95962277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.44618575" y3="0.13278962" z3="11.65414961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.37842557" y3="0.38654636" z3="12.72882224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39943574" y3="0.54351011" z3="11.26973383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.50433066" y3="-0.96821759" z3="11.56803967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7472482" y3="0.6696648" z3="10.86835718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.68312473" y3="0.249576" z3="11.27469223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.82065597" y3="1.7665382" z3="11.00230296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68043628" y3="0.32622868" z3="9.37919657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50096964" y3="-0.7590067" z3="9.2656064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18795315" y3="0.82377161" z3="8.90752272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96071148" y3="0.73904658" z3="8.64342038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06786675" y3="0.62666636" z3="9.16671985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80268202" y3="1.50795963" z3="7.84527958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4547,-2.199,10.8708;-3.4309,-1.2475,10.3088;-3.1825,-1.9884,11.922;-4.4937,-2.5824,10.862;-2.493,-3.2079,10.25;-2.491,-4.1548,10.828;-1.4614,-2.8152,10.2776;-2.8224,-3.549,8.7965;-3.8272,-4.0099,8.7419;-2.0779,-4.2694,8.4135;-1.6713,-1.929,7.5002;-.6053,-.2041,6.0387;.2867,-.2128,6.6944;-.7705,.8555,5.7484;-.2423,-1.0095,4.7758;-.0222,-2.0468,5.0918;.692,-.6024,4.3379;-1.3465,-1.0236,3.7204;-1.5011,.0051,3.3347;-2.2902,-1.313,4.2163;-1.1017,-1.9713,2.5432;-1.9912,-1.9651,1.8853;-1.013,-3.004,2.929;.1345,-1.6409,1.7071;.0899,-.6017,1.3294;1.0607,-1.7383,2.3001;.2236,-2.3143,.8343;-.6253,-2.5261,7.7881;-1.7927,-.7067,6.8147;-2.7988,-.4185,6.4978;-2.8816,-2.4248,7.9596;.4462,.1328,11.6541;.3784,.3865,12.7288;1.3994,.5435,11.2697;.5043,-.9682,11.568;-.7472,.6697,10.8684;-1.6831,.2496,11.2747;-.8207,1.7665,11.0023;-.6804,.3262,9.3792;-.501,-.759,9.2656;.188,.8238,8.9075;-1.9607,.739,8.6434;-3.0679,.6267,9.1667;-1.8027,1.508,7.8453;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604274930579</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001974468780 0.000387024999 0.031447221415 0.008700546256</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023544386 -0.000336497 0.000230633 0.000332310 0.000448174 0.000828418 0.001749449 0.001981927 0.002371973 0.002517846 0.002685526 0.003934597 0.004206964 0.005695090 0.005867972 0.006863263 0.007371226 0.007971710 0.009087035 0.010991027 0.012473766 0.015361723 0.019065828 0.021639866 0.022590723 0.024967505 0.029487309 0.030311434 0.031648163 0.032426841 0.033310430 0.034811526 0.037028073 0.040080046 0.040300359 0.044461948 0.046474375 0.046959248 0.051872812 0.052639391 0.054037110 0.055046014 0.057989988 0.059216509 0.064565660 0.067460210 0.068346224 0.072001399 0.076696768 0.077150131 0.077685579 0.079286222 0.081795130 0.082789701 0.088817976 0.096230070 0.099633229 0.100077398 0.104245950 0.106585204 0.109894941 0.112834354 0.115920943 0.130489547 0.132735183 0.135305160 0.139177295 0.146383032 0.152353766 0.157295693 0.161829182 0.166022511 0.169191259 0.173393216 0.178588919 0.183242557 0.187835331 0.195309546 0.201430353 0.207861046 0.218971770 0.228862206 0.241250147 0.254529279 0.270241889 0.292078888 0.309937332 0.344782049 0.397309713 0.417101374 0.430668113 0.477706831 0.539274928 0.561911276 0.590409389 0.608101255 0.662657494 0.687715405 0.734646803 0.752472877 0.757849102 0.768308909 0.773526818 0.778516128 0.783199746 0.796822108 0.804450858 0.818767772 0.819658261 0.834387913 0.846994214 0.852460405 0.867132874 0.874371773 0.888398290 0.891411355 0.897312827 0.910270428 0.918398837 0.929074916 0.933391404 0.945562188 0.978498589 1.009210857 1.465093670 1.551477430</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="-3.45332543" y3="-2.19035002" z3="10.87885301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43090354" y3="-1.24236482" z3="10.31083811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.17978855" y3="-1.97342234" z3="11.9283352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.49194521" y3="-2.57398386" z3="10.87389801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49296064" y3="-3.20299784" z3="10.26331125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49449441" y3="-4.14650414" z3="10.84501407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46135387" y3="-2.81347229" z3="10.29116899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82075825" y3="-3.5503312" z3="8.81111559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82586948" y3="-4.00999175" z3="8.75797831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07714058" y3="-4.27357236" z3="8.43225541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66717495" y3="-1.93775824" z3="7.50686114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59969609" y3="-0.21879589" z3="6.03971369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29200507" y3="-0.23734914" z3="6.69383992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.75756781" y3="0.8425369" z3="5.75525537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24213382" y3="-1.01911482" z3="4.77303945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02596641" y3="-2.05877955" z3="5.08339251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69341426" y3="-0.61384576" z3="4.33625877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34680201" y3="-1.02508991" z3="3.71766296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50364358" y3="0.00706476" z3="3.34030279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28987671" y3="-1.32065172" z3="4.21117091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09948305" y3="-1.96363258" z3="2.53192945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99074411" y3="-1.95839794" z3="1.87417937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00357329" y3="-2.99969906" z3="2.91120449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13354424" y3="-1.62051101" z3="1.69588569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08515703" y3="-0.57785098" z3="1.33030029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06160256" y3="-1.72179679" z3="2.28442899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22184071" y3="-2.28284615" z3="0.81558996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62197228" y3="-2.53485913" z3="7.79658879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78816894" y3="-0.71787922" z3="6.81599273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79404924" y3="-0.4321254" z3="6.49578007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87803154" y3="-2.43022001" z3="7.96892114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43864399" y3="0.13161009" z3="11.6539888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.36807734" y3="0.38922565" z3="12.72678166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39395509" y3="0.53539225" z3="11.27127963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.49238279" y3="-0.9685875" z3="11.57292259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75237165" y3="0.66989005" z3="10.86474237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69063555" y3="0.25500146" z3="11.26944864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.82332805" y3="1.76731447" z3="10.99531792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68350308" y3="0.32340713" z3="9.37649669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50690047" y3="-0.76215009" z3="9.26334129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18624209" y3="0.81976034" z3="8.90653007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95870792" y3="0.73588743" z3="8.63374381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06741525" y3="0.63016696" z3="9.15260632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79494117" y3="1.50106136" z3="7.83410662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4533,-2.1904,10.8789;-3.4309,-1.2424,10.3108;-3.1798,-1.9734,11.9283;-4.4919,-2.574,10.8739;-2.493,-3.203,10.2633;-2.4945,-4.1465,10.845;-1.4614,-2.8135,10.2912;-2.8208,-3.5503,8.8111;-3.8259,-4.01,8.758;-2.0771,-4.2736,8.4323;-1.6672,-1.9378,7.5069;-.5997,-.2188,6.0397;.292,-.2373,6.6938;-.7576,.8425,5.7553;-.2421,-1.0191,4.773;-.026,-2.0588,5.0834;.6934,-.6138,4.3363;-1.3468,-1.0251,3.7177;-1.5036,.0071,3.3403;-2.2899,-1.3207,4.2112;-1.0995,-1.9636,2.5319;-1.9907,-1.9584,1.8742;-1.0036,-2.9997,2.9112;.1335,-1.6205,1.6959;.0852,-.5779,1.3303;1.0616,-1.7218,2.2844;.2218,-2.2828,.8156;-.622,-2.5349,7.7966;-1.7882,-.7179,6.816;-2.794,-.4321,6.4958;-2.878,-2.4302,7.9689;.4386,.1316,11.654;.3681,.3892,12.7268;1.394,.5354,11.2713;.4924,-.9686,11.5729;-.7524,.6699,10.8647;-1.6906,.255,11.2694;-.8233,1.7673,10.9953;-.6835,.3234,9.3765;-.5069,-.7622,9.2633;.1862,.8198,8.9065;-1.9587,.7359,8.6337;-3.0674,.6302,9.1526;-1.7949,1.5011,7.8341;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604279978917</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001035195720 0.000306299076 0.026366392771 0.008708727596</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023547223 -0.000332425 0.000235638 0.000401854 0.000457524 0.000829127 0.001748444 0.001992031 0.002377906 0.002520593 0.002712266 0.003936130 0.004210026 0.005705554 0.005962511 0.006892017 0.007372567 0.008088120 0.009123987 0.011011044 0.012476664 0.015401939 0.019075061 0.021645451 0.022602300 0.024978217 0.029489143 0.030314712 0.031652251 0.032435226 0.033328857 0.034825700 0.037036800 0.040080328 0.040302866 0.044464949 0.046476287 0.046962445 0.051886540 0.052660898 0.054037793 0.055046184 0.057991740 0.059216816 0.064568254 0.067462086 0.068345900 0.072002617 0.076699400 0.077160201 0.077708097 0.079289673 0.081795546 0.082873000 0.088819511 0.096231107 0.099634294 0.100077208 0.104247125 0.106585081 0.109894981 0.112838156 0.115920965 0.130490095 0.132735446 0.135306537 0.139181840 0.146385857 0.152353784 0.157325189 0.161892350 0.166028866 0.169237233 0.173403571 0.178612104 0.183242399 0.187839708 0.195319915 0.201448677 0.207863308 0.218974610 0.228897207 0.241251415 0.254596055 0.270411046 0.292108047 0.309969142 0.344851605 0.397311977 0.417142389 0.430720723 0.477857440 0.539286625 0.562061903 0.590453592 0.608118944 0.662699596 0.687738295 0.734668053 0.752474210 0.757853904 0.768339577 0.773526905 0.778519327 0.783209726 0.796849289 0.804464791 0.818783264 0.819662614 0.834428871 0.847001406 0.852462234 0.867152722 0.874385740 0.888397586 0.891423952 0.897333496 0.910271219 0.918419547 0.929097581 0.933414528 0.945593361 0.978499168 1.009214845 1.465233227 1.551612488</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="-3.45700617" y3="-2.18680653" z3="10.88107474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43153622" y3="-1.24077963" z3="10.31001035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.18475503" y3="-1.96655329" z3="11.93039845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.49672646" y3="-2.56860848" z3="10.87544292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.4965084" y3="-3.20322673" z3="10.27045733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49798258" y3="-4.14550234" z3="10.85617878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46377693" y3="-2.81287221" z3="10.29724244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8235422" y3="-3.55558325" z3="8.81883903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82951646" y3="-4.0141842" z3="8.76574681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08006176" y3="-4.28128721" z3="8.44370712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66539526" y3="-1.94876037" z3="7.51192436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59223281" y3="-0.23550435" z3="6.04188199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29979537" y3="-0.25883537" z3="6.69691265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.74635649" y3="0.82796636" z3="5.7595972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23846284" y3="-1.03340408" z3="4.77171515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02752416" y3="-2.0755497" z3="5.07743625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69877627" y3="-0.6310042" z3="4.33620269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34343488" y3="-1.02806954" z3="3.71718163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49806386" y3="0.00757959" z3="3.35060662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28694411" y3="-1.32582092" z3="4.20859493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09949574" y3="-1.95391025" z3="2.52208771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99295864" y3="-1.94186145" z3="1.86896864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00221062" y3="-2.99317919" z3="2.8889085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1298952" y3="-1.60053658" z3="1.68487057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07636011" y3="-0.5550232" z3="1.32708787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06089798" y3="-1.70269174" z3="2.26955794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21721286" y3="-2.25647976" z3="0.79935046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62147322" y3="-2.54553736" z3="7.80798949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78302439" y3="-0.73167933" z3="6.81624612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78762697" y3="-0.44483358" z3="6.49341188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87806029" y3="-2.43831913" z3="7.97229761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43545062" y3="0.14279144" z3="11.65670694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.36538492" y3="0.40892729" z3="12.72811352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39346367" y3="0.54102595" z3="11.27058018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.48540232" y3="-0.95973529" z3="11.58354356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75204549" y3="0.68074626" z3="10.86204354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69288892" y3="0.27402981" z3="11.27081351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.81710367" y3="1.78044548" z3="10.9828268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68276747" y3="0.31953502" z3="9.37696641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50752131" y3="-0.76842966" z3="9.27545327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18921523" y3="0.80842087" z3="8.90110966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95877169" y3="0.72897284" z3="8.63250316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06840443" y3="0.62208819" z3="9.15084189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79603686" y3="1.49142715" z3="7.82894221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.457,-2.1868,10.8811;-3.4315,-1.2408,10.31;-3.1848,-1.9666,11.9304;-4.4967,-2.5686,10.8754;-2.4965,-3.2032,10.2705;-2.498,-4.1455,10.8562;-1.4638,-2.8129,10.2972;-2.8235,-3.5556,8.8188;-3.8295,-4.0142,8.7657;-2.0801,-4.2813,8.4437;-1.6654,-1.9488,7.5119;-.5922,-.2355,6.0419;.2998,-.2588,6.6969;-.7464,.828,5.7596;-.2385,-1.0334,4.7717;-.0275,-2.0755,5.0774;.6988,-.631,4.3362;-1.3434,-1.0281,3.7172;-1.4981,.0076,3.3506;-2.2869,-1.3258,4.2086;-1.0995,-1.9539,2.5221;-1.993,-1.9419,1.869;-1.0022,-2.9932,2.8889;.1299,-1.6005,1.6849;.0764,-.555,1.3271;1.0609,-1.7027,2.2696;.2172,-2.2565,.7994;-.6215,-2.5455,7.808;-1.783,-.7317,6.8162;-2.7876,-.4448,6.4934;-2.8781,-2.4383,7.9723;.4355,.1428,11.6567;.3654,.4089,12.7281;1.3935,.541,11.2706;.4854,-.9597,11.5835;-.752,.6807,10.862;-1.6929,.274,11.2708;-.8171,1.7804,10.9828;-.6828,.3195,9.377;-.5075,-.7684,9.2755;.1892,.8084,8.9011;-1.9588,.729,8.6325;-3.0684,.6221,9.1508;-1.796,1.4914,7.8289;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604283485428</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001884037011 0.000340631860 0.033751796022 0.008692339237</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023556468 -0.000230074 0.000233906 0.000425769 0.000467531 0.000841358 0.001751518 0.001997365 0.002384496 0.002520993 0.002735301 0.003936214 0.004211223 0.005705516 0.006053043 0.006913987 0.007375627 0.008130634 0.009150173 0.011019666 0.012477593 0.015435929 0.019082483 0.021652319 0.022612738 0.024985287 0.029490955 0.030318151 0.031653830 0.032441114 0.033352488 0.034836958 0.037042732 0.040080596 0.040307527 0.044468430 0.046477068 0.046964842 0.051896242 0.052669130 0.054039400 0.055048326 0.057993413 0.059223400 0.064569412 0.067464808 0.068349174 0.072005449 0.076702307 0.077160308 0.077707063 0.079299992 0.081796433 0.082901725 0.088820211 0.096242300 0.099634725 0.100077202 0.104290883 0.106586535 0.109895105 0.112840072 0.115921805 0.130490013 0.132739920 0.135306570 0.139181984 0.146385798 0.152353910 0.157354966 0.161893605 0.166028381 0.169266033 0.173404829 0.178613850 0.183243166 0.187844242 0.195346043 0.201471531 0.207884288 0.218979741 0.228909499 0.241252828 0.254686791 0.270898108 0.292106734 0.309993187 0.344893635 0.397311980 0.417160508 0.430759409 0.477910058 0.539305020 0.562182827 0.590471953 0.608125213 0.662725517 0.687774282 0.734683227 0.752474595 0.757865757 0.768352442 0.773528517 0.778530115 0.783210516 0.796863882 0.804468240 0.818788385 0.819666848 0.834463830 0.847005133 0.852467906 0.867156497 0.874389852 0.888405376 0.891440714 0.897337902 0.910281166 0.918422418 0.929256186 0.933418394 0.945595792 0.978505504 1.009218322 1.465300008 1.551733159</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="-3.45851999" y3="-2.18009445" z3="10.88844245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.431502" y3="-1.23615825" z3="10.31411935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.1874384" y3="-1.95691074" z3="11.93711905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.49829062" y3="-2.56020537" z3="10.88319061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.49970848" y3="-3.20000384" z3="10.28269028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50536825" y3="-4.13913773" z3="10.8716014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.46696382" y3="-2.81321525" z3="10.31007245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82479393" y3="-3.55775026" z3="8.83239498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83081199" y3="-4.0157766" z3="8.78052315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08168137" y3="-4.28548052" z3="8.46126019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66430083" y3="-1.95834817" z3="7.51784837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58904652" y3="-0.25033309" z3="6.04310047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30221416" y3="-0.28060673" z3="6.69776524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.73803051" y3="0.81444275" z3="5.76496792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23773261" y3="-1.04426661" z3="4.77028005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02818156" y3="-2.08808434" z3="5.0717374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70019563" y3="-0.6414475" z3="4.33630558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3430705" y3="-1.03367237" z3="3.71581493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50302524" y3="0.00520241" z3="3.35919821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28496587" y3="-1.34104898" z3="4.20444243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09478291" y3="-1.94662803" z3="2.51091598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98936915" y3="-1.93458063" z3="1.85896826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.98928676" y3="-2.98908511" z3="2.86807588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13041098" y3="-1.57710391" z3="1.67429103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07022478" y3="-0.52829754" z3="1.32789359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06282652" y3="-1.68065833" z3="2.25537911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.2197706" y3="-2.22272796" z3="0.7813253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62132497" y3="-2.55516856" z3="7.81552223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78106387" y3="-0.7437376" z3="6.81709693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78542341" y3="-0.45858486" z3="6.49149321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87754025" y3="-2.44437836" z3="7.9808691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43215505" y3="0.14511296" z3="11.65562914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.36357647" y3="0.4168258" z3="12.725255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39173057" y3="0.53513229" z3="11.26918863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.47473632" y3="-0.95680496" z3="11.58762798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75145205" y3="0.68478922" z3="10.85681446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69426453" y3="0.28396122" z3="11.26555558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.81067579" y3="1.78411723" z3="10.9725117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68440682" y3="0.31695429" z3="9.37346657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51355058" y3="-0.77061857" z3="9.27693073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18770851" y3="0.80088346" z3="8.89629384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95776281" y3="0.72512235" z3="8.62538427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06771789" y3="0.62391408" z3="9.14264206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79185711" y3="1.48384444" z3="7.82036776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4585,-2.1801,10.8884;-3.4315,-1.2362,10.3141;-3.1874,-1.9569,11.9371;-4.4983,-2.5602,10.8832;-2.4997,-3.2,10.2827;-2.5054,-4.1391,10.8716;-1.467,-2.8132,10.3101;-2.8248,-3.5578,8.8324;-3.8308,-4.0158,8.7805;-2.0817,-4.2855,8.4613;-1.6643,-1.9583,7.5178;-.589,-.2503,6.0431;.3022,-.2806,6.6978;-.738,.8144,5.765;-.2377,-1.0443,4.7703;-.0282,-2.0881,5.0717;.7002,-.6414,4.3363;-1.3431,-1.0337,3.7158;-1.503,.0052,3.3592;-2.285,-1.341,4.2044;-1.0948,-1.9466,2.5109;-1.9894,-1.9346,1.859;-.9893,-2.9891,2.8681;.1304,-1.5771,1.6743;.0702,-.5283,1.3279;1.0628,-1.6807,2.2554;.2198,-2.2227,.7813;-.6213,-2.5552,7.8155;-1.7811,-.7437,6.8171;-2.7854,-.4586,6.4915;-2.8775,-2.4444,7.9809;.4322,.1451,11.6556;.3636,.4168,12.7253;1.3917,.5351,11.2692;.4747,-.9568,11.5876;-.7515,.6848,10.8568;-1.6943,.284,11.2656;-.8107,1.7841,10.9725;-.6844,.317,9.3735;-.5136,-.7706,9.2769;.1877,.8009,8.8963;-1.9578,.7251,8.6254;-3.0677,.6239,9.1426;-1.7919,1.4838,7.8204;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604286456812</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001121795942 0.000226310252 0.029138324002 0.008705626261</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023554425 -0.000236290 0.000232651 0.000430668 0.000539801 0.000873156 0.001770590 0.002000637 0.002389370 0.002522185 0.002793371 0.003936591 0.004213408 0.005721166 0.006175101 0.006921159 0.007379958 0.008132584 0.009163977 0.011019165 0.012477749 0.015451454 0.019090450 0.021656520 0.022614755 0.024989735 0.029490534 0.030321696 0.031654436 0.032442976 0.033370094 0.034842339 0.037049723 0.040080748 0.040306898 0.044470616 0.046478123 0.046965468 0.051898973 0.052671483 0.054039656 0.055051064 0.057994763 0.059225217 0.064570475 0.067466592 0.068350821 0.072007458 0.076704133 0.077163199 0.077707026 0.079303986 0.081798152 0.082904599 0.088820729 0.096247499 0.099635775 0.100077134 0.104347254 0.106588642 0.109895368 0.112840143 0.115922063 0.130491232 0.132741614 0.135307265 0.139182368 0.146386555 0.152354440 0.157373731 0.161896168 0.166030263 0.169279285 0.173405356 0.178621495 0.183245364 0.187849108 0.195384244 0.201502679 0.207891022 0.218994944 0.228905896 0.241257519 0.254771800 0.271247249 0.292106304 0.310010392 0.344925249 0.397315600 0.417170631 0.430762610 0.477919666 0.539327701 0.562279841 0.590476390 0.608125307 0.662740186 0.687782782 0.734686395 0.752474694 0.757868474 0.768386664 0.773530685 0.778535796 0.783217379 0.796893415 0.804469542 0.818793326 0.819671992 0.834470320 0.847011395 0.852472752 0.867160009 0.874471177 0.888418629 0.891458435 0.897340057 0.910288674 0.918441785 0.929306785 0.933424653 0.945596135 0.978517987 1.009220244 1.465343370 1.551818605</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="-3.46329216" y3="-2.17933288" z3="10.88936133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.4333824" y3="-1.23660632" z3="10.31272957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19261847" y3="-1.95375508" z3="11.93800103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5045544" y3="-2.55743479" z3="10.88365848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50536212" y3="-3.20338237" z3="10.28755818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51294277" y3="-4.14183348" z3="10.87909123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47106657" y3="-2.81782569" z3="10.31511408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82949699" y3="-3.56379421" z3="8.83728047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83666732" y3="-4.01964842" z3="8.78461134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08732918" y3="-4.29428691" z3="8.46911471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66286326" y3="-1.96898835" z3="7.52256002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58160528" y3="-0.26609803" z3="6.04618661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30912585" y3="-0.30562814" z3="6.70099055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.72385271" y3="0.80118653" z3="5.77378084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2346947" y3="-1.05439364" z3="4.76855752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0300498" y3="-2.10066054" z3="5.06380742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70466668" y3="-0.65373967" z3="4.33599349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34031036" y3="-1.03314896" z3="3.7150082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49810067" y3="0.00837107" z3="3.36663731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28256136" y3="-1.34187657" z3="4.20182726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09424493" y3="-1.93739525" z3="2.5034066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99107479" y3="-1.92325061" z3="1.85421929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.98546469" y3="-2.98189094" z3="2.85317076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.127582" y3="-1.55934017" z3="1.66586441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.06312674" y3="-0.50867878" z3="1.3262097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06247844" y3="-1.66307223" z3="2.24359097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21587518" y3="-2.19907615" z3="0.76888556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62138816" y3="-2.56583844" z3="7.82678176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77646247" y3="-0.75732549" z3="6.81678056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77952473" y3="-0.47065593" z3="6.48899391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87835629" y3="-2.45231964" z3="7.98309246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43515089" y3="0.16157857" z3="11.65592542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.36943876" y3="0.44596412" z3="12.72275028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39532477" y3="0.54529464" z3="11.26121439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.47593219" y3="-0.94211768" z3="11.60076893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75004296" y3="0.6961096" z3="10.85550075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69360563" y3="0.30451613" z3="11.27259455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.8054368" y3="1.79862403" z3="10.95814104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68653899" y3="0.30995768" z3="9.3760864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.52336326" y3="-0.78157574" z3="9.2907261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18955961" y3="0.78289789" z3="8.89137463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95840966" y3="0.71876976" z3="8.62622944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0693996" y3="0.61704108" z3="9.14171539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79255944" y3="1.47404735" z3="7.81647993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4633,-2.1793,10.8894;-3.4334,-1.2366,10.3127;-3.1926,-1.9538,11.938;-4.5046,-2.5574,10.8837;-2.5054,-3.2034,10.2876;-2.5129,-4.1418,10.8791;-1.4711,-2.8178,10.3151;-2.8295,-3.5638,8.8373;-3.8367,-4.0196,8.7846;-2.0873,-4.2943,8.4691;-1.6629,-1.969,7.5226;-.5816,-.2661,6.0462;.3091,-.3056,6.701;-.7239,.8012,5.7738;-.2347,-1.0544,4.7686;-.03,-2.1007,5.0638;.7047,-.6537,4.336;-1.3403,-1.0331,3.715;-1.4981,.0084,3.3666;-2.2826,-1.3419,4.2018;-1.0942,-1.9374,2.5034;-1.9911,-1.9233,1.8542;-.9855,-2.9819,2.8532;.1276,-1.5593,1.6659;.0631,-.5087,1.3262;1.0625,-1.6631,2.2436;.2159,-2.1991,.7689;-.6214,-2.5658,7.8268;-1.7765,-.7573,6.8168;-2.7795,-.4707,6.489;-2.8784,-2.4523,7.9831;.4352,.1616,11.6559;.3694,.446,12.7228;1.3953,.5453,11.2612;.4759,-.9421,11.6008;-.75,.6961,10.8555;-1.6936,.3045,11.2726;-.8054,1.7986,10.9581;-.6865,.31,9.3761;-.5234,-.7816,9.2907;.1896,.7829,8.8914;-1.9584,.7188,8.6262;-3.0694,.617,9.1417;-1.7926,1.474,7.8165;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604286230537</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001892132569 0.000327171343 0.032295802598 0.008714117518</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023557080 -0.000185020 0.000231965 0.000432908 0.000569789 0.000887147 0.001787831 0.001999918 0.002389749 0.002521928 0.002831532 0.003936818 0.004214337 0.005753519 0.006233408 0.006924089 0.007385491 0.008133847 0.009160007 0.011021570 0.012479544 0.015454902 0.019096769 0.021656067 0.022617808 0.024990769 0.029492414 0.030324761 0.031654994 0.032444992 0.033377871 0.034845488 0.037054306 0.040084610 0.040316439 0.044471666 0.046478005 0.046965532 0.051899087 0.052671995 0.054040566 0.055057264 0.057995639 0.059230634 0.064570558 0.067467046 0.068352417 0.072009288 0.076708152 0.077173638 0.077715627 0.079310306 0.081802253 0.082907426 0.088821732 0.096258390 0.099636175 0.100077003 0.104453493 0.106593848 0.109895203 0.112840296 0.115922220 0.130492158 0.132741973 0.135307633 0.139184732 0.146387581 0.152354628 0.157376895 0.161928153 0.166038987 0.169283043 0.173406591 0.178625881 0.183250178 0.187850477 0.195423178 0.201536714 0.207905872 0.219007447 0.228945169 0.241260349 0.254847418 0.271739753 0.292124109 0.310013750 0.344928467 0.397327989 0.417172194 0.430762730 0.477921746 0.539331774 0.562303434 0.590476480 0.608130952 0.662740536 0.687805320 0.734689895 0.752474804 0.757870492 0.768413453 0.773531217 0.778543502 0.783217883 0.796900631 0.804470808 0.818793389 0.819675894 0.834486613 0.847017234 0.852477641 0.867160506 0.874547520 0.888446281 0.891508431 0.897342558 0.910291678 0.918444015 0.929509628 0.933424673 0.945603460 0.978539813 1.009227941 1.465371193 1.551862990</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="-3.46378278" y3="-2.17479043" z3="10.89630632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43010591" y3="-1.23370118" z3="10.31789703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19325846" y3="-1.94833785" z3="11.94442568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50595388" y3="-2.54818895" z3="10.89088356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51009171" y3="-3.20348179" z3="10.2972585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5221196" y3="-4.13967308" z3="10.89118532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47497264" y3="-2.82234899" z3="10.32432169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83445902" y3="-3.56725034" z3="8.84818454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84243824" y3="-4.02126793" z3="8.79716154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09380415" y3="-4.30039475" z3="8.48266151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66414162" y3="-1.97965024" z3="7.52752857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57901996" y3="-0.28155576" z3="6.04751174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.3113266" y3="-0.32388658" z3="6.70352887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71908664" y3="0.78703636" z3="5.77665587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23278629" y3="-1.067459" z3="4.76802208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03087681" y3="-2.11552542" z3="5.05973649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70797748" y3="-0.66738179" z3="4.33783986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33774328" y3="-1.03905336" z3="3.71385324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49806331" y3="0.00582233" z3="3.37606717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27938964" y3="-1.35497405" z3="4.19737464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08915884" y3="-1.92929771" z3="2.49234957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.986667" y3="-1.91164148" z3="1.8454215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.975176" y3="-2.97687117" z3="2.83023812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12886623" y3="-1.5361357" z3="1.65591368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05738403" y3="-0.48253792" z3="1.32632275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06516626" y3="-1.64006492" z3="2.23075272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21957481" y3="-2.16678035" z3="0.75236144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.6241431" y3="-2.57707852" z3="7.83470379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77543757" y3="-0.77115585" z3="6.81647164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77790432" y3="-0.48407447" z3="6.48686095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88087325" y3="-2.45878192" z3="7.99006416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43481778" y3="0.16995284" z3="11.65467012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.37258872" y3="0.4623262" z3="12.71938548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39560913" y3="0.54615105" z3="11.25693566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.46955217" y3="-0.93346251" z3="11.60695666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74779839" y3="0.70320727" z3="10.8502969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69214773" y3="0.31750006" z3="11.27021358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.7977429" y3="1.80504559" z3="10.94484189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68849168" y3="0.30635811" z3="9.37398818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.52986716" y3="-0.78480288" z3="9.29807878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18752549" y3="0.77094649" z3="8.88489054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95944581" y3="0.71447293" z3="8.62322962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07060382" y3="0.61678856" z3="9.13730615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79119895" y3="1.46538641" z3="7.81171475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4638,-2.1748,10.8963;-3.4301,-1.2337,10.3179;-3.1933,-1.9483,11.9444;-4.506,-2.5482,10.8909;-2.5101,-3.2035,10.2973;-2.5221,-4.1397,10.8912;-1.475,-2.8223,10.3243;-2.8345,-3.5673,8.8482;-3.8424,-4.0213,8.7972;-2.0938,-4.3004,8.4827;-1.6641,-1.9797,7.5275;-.579,-.2816,6.0475;.3113,-.3239,6.7035;-.7191,.787,5.7767;-.2328,-1.0675,4.768;-.0309,-2.1155,5.0597;.708,-.6674,4.3378;-1.3377,-1.0391,3.7139;-1.4981,.0058,3.3761;-2.2794,-1.355,4.1974;-1.0892,-1.9293,2.4923;-1.9867,-1.9116,1.8454;-.9752,-2.9769,2.8302;.1289,-1.5361,1.6559;.0574,-.4825,1.3263;1.0652,-1.6401,2.2308;.2196,-2.1668,.7524;-.6241,-2.5771,7.8347;-1.7754,-.7712,6.8165;-2.7779,-.4841,6.4869;-2.8809,-2.4588,7.9901;.4348,.17,11.6547;.3726,.4623,12.7194;1.3956,.5462,11.2569;.4696,-.9335,11.607;-.7478,.7032,10.8503;-1.6921,.3175,11.2702;-.7977,1.805,10.9448;-.6885,.3064,9.374;-.5299,-.7848,9.2981;.1875,.7709,8.8849;-1.9594,.7145,8.6232;-3.0706,.6168,9.1373;-1.7912,1.4654,7.8117;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604286915119</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000784116837 0.000204854899 0.030952934487 0.008655181801</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023555736 -0.000167228 0.000233901 0.000436193 0.000586083 0.000915514 0.001797956 0.002001335 0.002390748 0.002522579 0.002871487 0.003941402 0.004215360 0.005797941 0.006310382 0.006923792 0.007389610 0.008141259 0.009155870 0.011034852 0.012483777 0.015455665 0.019100747 0.021656370 0.022620267 0.024991136 0.029498546 0.030325541 0.031656008 0.032445617 0.033378737 0.034847300 0.037058446 0.040093453 0.040346960 0.044471881 0.046478029 0.046965666 0.051900303 0.052673376 0.054043970 0.055059356 0.057996260 0.059232444 0.064571016 0.067467491 0.068353834 0.072010523 0.076710049 0.077176683 0.077719073 0.079314315 0.081806027 0.082917651 0.088826343 0.096263088 0.099636499 0.100076810 0.104495070 0.106594769 0.109895218 0.112840536 0.115922231 0.130496159 0.132743187 0.135308403 0.139186420 0.146397702 0.152355076 0.157378612 0.161957289 0.166045181 0.169283951 0.173407278 0.178637896 0.183255528 0.187854771 0.195456491 0.201577456 0.207906360 0.219023850 0.228944204 0.241263133 0.254892008 0.271947220 0.292149494 0.310014475 0.344929026 0.397347466 0.417173009 0.430774671 0.477943136 0.539331783 0.562340189 0.590476590 0.608155418 0.662748180 0.687809317 0.734718924 0.752475889 0.757870566 0.768433487 0.773531318 0.778546287 0.783219939 0.796908123 0.804474806 0.818793911 0.819678532 0.834489084 0.847020391 0.852483268 0.867161607 0.874615917 0.888455628 0.891543661 0.897364776 0.910297682 0.918454060 0.929557206 0.933425077 0.945607575 0.978565032 1.009229084 1.465451098 1.551904817</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="-3.46649175" y3="-2.17508034" z3="10.89830229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43169527" y3="-1.23522501" z3="10.31709579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19502318" y3="-1.94593515" z3="11.94588398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50971665" y3="-2.54745068" z3="10.89419755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51429779" y3="-3.20736252" z3="10.30215613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52861956" y3="-4.1427101" z3="10.89818811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47793599" y3="-2.82834129" z3="10.32896923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83858362" y3="-3.57285931" z3="8.85331094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84779457" y3="-4.02409622" z3="8.80208017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09966832" y3="-4.30877105" z3="8.4898691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6620618" y3="-1.99009471" z3="7.5325014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57027507" y3="-0.29849436" z3="6.05065807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31873105" y3="-0.35483952" z3="6.70588186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70003774" y3="0.77282906" z3="5.78828229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23005905" y3="-1.07686731" z3="4.76526789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03246795" y3="-2.1277553" z3="5.04927495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71191789" y3="-0.67823571" z3="4.33635202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33625593" y3="-1.03759165" z3="3.71269731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49531569" y3="0.01010717" z3="3.38347175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27793277" y3="-1.3558263" z3="4.19446948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09000111" y3="-1.91914617" z3="2.48438304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98951777" y3="-1.89898165" z3="1.83910924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.97350861" y3="-2.96898863" z3="2.81520295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12573395" y3="-1.51924141" z3="1.64827297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.0525745" y3="-0.46391541" z3="1.32589917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06346082" y3="-1.62573995" z3="2.22040401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21501931" y3="-2.14374493" z3="0.74064591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62387417" y3="-2.58811454" z3="7.84527898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77000478" y3="-0.78429098" z3="6.81633335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7710924" y3="-0.49609786" z3="6.48379831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88100013" y3="-2.46595323" z3="7.9931402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43539827" y3="0.18621324" z3="11.65645085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.37561108" y3="0.4906595" z3="12.71822051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39663371" y3="0.55609686" z3="11.25193388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.46801746" y3="-0.91846263" z3="11.62084818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7476873" y3="0.71453498" z3="10.84890882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69301151" y3="0.33694953" z3="11.27494662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79403005" y3="1.81887727" z3="10.93167666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69126463" y3="0.30110778" z3="9.37619655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.54227729" y3="-0.79340306" z3="9.30993523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18938667" y3="0.75436356" z3="8.88200639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95880835" y3="0.71017711" z3="8.62142657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07120779" y3="0.61427657" z3="9.13377956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78932789" y3="1.45681169" z3="7.80466462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4665,-2.1751,10.8983;-3.4317,-1.2352,10.3171;-3.195,-1.9459,11.9459;-4.5097,-2.5475,10.8942;-2.5143,-3.2074,10.3022;-2.5286,-4.1427,10.8982;-1.4779,-2.8283,10.329;-2.8386,-3.5729,8.8533;-3.8478,-4.0241,8.8021;-2.0997,-4.3088,8.4899;-1.6621,-1.9901,7.5325;-.5703,-.2985,6.0507;.3187,-.3548,6.7059;-.7,.7728,5.7883;-.2301,-1.0769,4.7653;-.0325,-2.1278,5.0493;.7119,-.6782,4.3364;-1.3363,-1.0376,3.7127;-1.4953,.0101,3.3835;-2.2779,-1.3558,4.1945;-1.09,-1.9191,2.4844;-1.9895,-1.899,1.8391;-.9735,-2.969,2.8152;.1257,-1.5192,1.6483;.0526,-.4639,1.3259;1.0635,-1.6257,2.2204;.215,-2.1437,.7406;-.6239,-2.5881,7.8453;-1.77,-.7843,6.8163;-2.7711,-.4961,6.4838;-2.881,-2.466,7.9931;.4354,.1862,11.6565;.3756,.4907,12.7182;1.3966,.5561,11.2519;.468,-.9185,11.6208;-.7477,.7145,10.8489;-1.693,.3369,11.2749;-.794,1.8189,10.9317;-.6913,.3011,9.3762;-.5423,-.7934,9.3099;.1894,.7544,8.882;-1.9588,.7102,8.6214;-3.0712,.6143,9.1338;-1.7893,1.4568,7.8047;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604284887906</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001395127319 0.000267695363 0.024420901115 0.008650840797</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023557821 -0.000131472 0.000238740 0.000438192 0.000594446 0.000923494 0.001798091 0.002002897 0.002392519 0.002529897 0.002885777 0.003953888 0.004216154 0.005822862 0.006311298 0.006926720 0.007389706 0.008146262 0.009153952 0.011046967 0.012487951 0.015455747 0.019103347 0.021659743 0.022630147 0.024991390 0.029504076 0.030326346 0.031658304 0.032447161 0.033378400 0.034849657 0.037064048 0.040103121 0.040398728 0.044473088 0.046478104 0.046965747 0.051904152 0.052676024 0.054049216 0.055061346 0.057996680 0.059233076 0.064571354 0.067467590 0.068363241 0.072017756 0.076710832 0.077178125 0.077727952 0.079315760 0.081806642 0.082919245 0.088833531 0.096271061 0.099636911 0.100076800 0.104543440 0.106596503 0.109895358 0.112841321 0.115922479 0.130497539 0.132747106 0.135308579 0.139188328 0.146399522 0.152355991 0.157385097 0.161978703 0.166046873 0.169286004 0.173408441 0.178654492 0.183259733 0.187862121 0.195468238 0.201609772 0.207908243 0.219031579 0.228961956 0.241266130 0.254917496 0.272233616 0.292172550 0.310014730 0.344929965 0.397350796 0.417173140 0.430790353 0.477962077 0.539333213 0.562343417 0.590476650 0.608170233 0.662758017 0.687821562 0.734740026 0.752476177 0.757870922 0.768494161 0.773532289 0.778548318 0.783223407 0.796912769 0.804478827 0.818796370 0.819680549 0.834499307 0.847025939 0.852483254 0.867161855 0.874643400 0.888487195 0.891566913 0.897373730 0.910297730 0.918454831 0.929703048 0.933427393 0.945609744 0.978584752 1.009234312 1.465492503 1.551918295</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="-3.46521092" y3="-2.17031996" z3="10.9054207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42952576" y3="-1.23330609" z3="10.32032223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19209187" y3="-1.93714574" z3="11.95158254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50884505" y3="-2.54000393" z3="10.90427513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51613426" y3="-3.20692924" z3="10.31244984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53269478" y3="-4.13983783" z3="10.91182484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47913696" y3="-2.83050729" z3="10.3376631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8414567" y3="-3.57745835" z3="8.86501368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.85162276" y3="-4.02691404" z3="8.81595746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.10413945" y3="-4.31671121" z3="8.50481493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66156425" y3="-2.00206425" z3="7.53773735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56587175" y3="-0.31556982" z3="6.05201314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32289346" y3="-0.377059" z3="6.70840838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.692301" y3="0.75796934" z3="5.79352439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22774157" y3="-1.08886947" z3="4.76264124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03708081" y3="-2.14277219" z3="5.03993954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71721671" y3="-0.69328592" z3="4.33762339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33193276" y3="-1.03520807" z3="3.70894727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48516082" y3="0.01605745" z3="3.38902858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27545485" y3="-1.35271869" z3="4.18715778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.08904487" y3="-1.90601352" z3="2.47234742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98803046" y3="-1.87589667" z3="1.82812844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.97659321" y3="-2.95897592" z3="2.79296482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12699342" y3="-1.50206732" z3="1.63868729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05550688" y3="-0.44395072" z3="1.32466015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06453807" y3="-1.61501848" z3="2.20954311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21472149" y3="-2.11932403" z3="0.72568717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62446764" y3="-2.59951277" z3="7.85566518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76759047" y3="-0.80060192" z3="6.8147703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76799382" y3="-0.51167734" z3="6.48068932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88184634" y3="-2.47428629" z3="7.99976726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4332368" y3="0.19651672" z3="11.65499858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.37475123" y3="0.50965678" z3="12.71391132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.3948131" y3="0.56069364" z3="11.24743132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.46309307" y3="-0.90761181" z3="11.62848122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.749458" y3="0.72007869" z3="10.8443567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69474527" y3="0.34747306" z3="11.27382728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.7939976" y3="1.82393322" z3="10.91811978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69502836" y3="0.29554848" z3="9.37585383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.54890188" y3="-0.79869907" z3="9.31942688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18581842" y3="0.7409787" z3="8.87751784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96170791" y3="0.70409808" z3="8.61970387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07498906" y3="0.61055473" z3="9.12866011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78958322" y3="1.44614537" z3="7.80082816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4652,-2.1703,10.9054;-3.4295,-1.2333,10.3203;-3.1921,-1.9371,11.9516;-4.5088,-2.54,10.9043;-2.5161,-3.2069,10.3124;-2.5327,-4.1398,10.9118;-1.4791,-2.8305,10.3377;-2.8415,-3.5775,8.865;-3.8516,-4.0269,8.816;-2.1041,-4.3167,8.5048;-1.6616,-2.0021,7.5377;-.5659,-.3156,6.052;.3229,-.3771,6.7084;-.6923,.758,5.7935;-.2277,-1.0889,4.7626;-.0371,-2.1428,5.0399;.7172,-.6933,4.3376;-1.3319,-1.0352,3.7089;-1.4852,.0161,3.389;-2.2755,-1.3527,4.1872;-1.089,-1.906,2.4723;-1.988,-1.8759,1.8281;-.9766,-2.959,2.793;.127,-1.5021,1.6387;.0555,-.444,1.3247;1.0645,-1.615,2.2095;.2147,-2.1193,.7257;-.6245,-2.5995,7.8557;-1.7676,-.8006,6.8148;-2.768,-.5117,6.4807;-2.8818,-2.4743,7.9998;.4332,.1965,11.655;.3748,.5097,12.7139;1.3948,.5607,11.2474;.4631,-.9076,11.6285;-.7495,.7201,10.8444;-1.6947,.3475,11.2738;-.794,1.8239,10.9181;-.695,.2955,9.3759;-.5489,-.7987,9.3194;.1858,.741,8.8775;-1.9617,.7041,8.6197;-3.075,.6106,9.1287;-1.7896,1.4461,7.8008;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604283418538</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000842520468 0.000178069780 0.028391553461 0.008715784780</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023563625 -0.000141946 0.000235916 0.000455739 0.000612438 0.000947904 0.001798591 0.002003585 0.002397204 0.002555532 0.002888505 0.003974238 0.004216386 0.005833224 0.006321271 0.006931103 0.007390281 0.008153813 0.009150650 0.011067379 0.012494554 0.015455941 0.019106321 0.021663124 0.022650578 0.024991589 0.029509656 0.030326556 0.031658985 0.032449041 0.033378334 0.034851416 0.037069257 0.040109949 0.040440978 0.044474129 0.046478145 0.046965753 0.051904916 0.052676152 0.054058198 0.055066345 0.057996890 0.059232971 0.064573884 0.067468475 0.068378232 0.072028157 0.076716684 0.077180047 0.077727542 0.079319270 0.081808591 0.082920738 0.088848963 0.096273383 0.099636867 0.100077218 0.104547280 0.106596368 0.109895455 0.112841486 0.115922746 0.130498335 0.132750086 0.135310703 0.139191263 0.146418652 0.152356937 0.157404042 0.161981118 0.166047809 0.169288992 0.173410862 0.178671979 0.183270742 0.187892799 0.195485208 0.201626326 0.207909841 0.219036253 0.228971992 0.241267454 0.254915318 0.272332437 0.292199965 0.310016551 0.344934207 0.397352305 0.417173918 0.430807927 0.477970122 0.539333172 0.562344141 0.590477048 0.608184847 0.662771630 0.687824371 0.734783949 0.752479863 0.757872363 0.768532984 0.773532391 0.778552531 0.783239196 0.796912628 0.804479090 0.818796433 0.819680643 0.834501649 0.847028333 0.852508451 0.867161962 0.874643293 0.888489641 0.891596077 0.897384364 0.910297527 0.918455594 0.929742771 0.933427440 0.945613414 0.978584069 1.009245117 1.465586757 1.551919057</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="-3.46865332" y3="-2.17209187" z3="10.90605094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42973848" y3="-1.23621206" z3="10.31941213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19886916" y3="-1.93780078" z3="11.95271866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.51293618" y3="-2.54020597" z3="10.90200155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51925432" y3="-3.21122937" z3="10.31802333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53970749" y3="-4.14292131" z3="10.91894397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4816856" y3="-2.83684452" z3="10.34609904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.84034978" y3="-3.58319429" z3="8.87021741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.85064152" y3="-4.0317774" z3="8.81879616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.10253181" y3="-4.32325259" z3="8.51315271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65515712" y3="-2.01234602" z3="7.5424887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.55532356" y3="-0.33165665" z3="6.05355942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.33324395" y3="-0.40545055" z3="6.70811917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.67338583" y3="0.7444363" z3="5.8027546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2248992" y3="-1.09818661" z3="4.75809194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03871595" y3="-2.15524308" z3="5.0278347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72107378" y3="-0.70459263" z3="4.33330322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33188123" y3="-1.0325003" z3="3.7072578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48256602" y3="0.02204026" z3="3.39595756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27596701" y3="-1.35079504" z3="4.18453005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09439926" y3="-1.89516179" z3="2.46394328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99571345" y3="-1.85848408" z3="1.82175724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.98360941" y3="-2.95121581" z3="2.77658622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12156069" y3="-1.48858693" z3="1.6312398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05285595" y3="-0.42788381" z3="1.32545804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06047309" y3="-1.60866363" z3="2.19919795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20528751" y3="-2.09954494" z3="0.71386581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61993216" y3="-2.61052282" z3="7.86395767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75869155" y3="-0.81328205" z3="6.81528729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7583272" y3="-0.52454375" z3="6.47882629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87713636" y3="-2.48134209" z3="8.003845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4289817" y3="0.21160539" z3="11.6616059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.37205608" y3="0.53588885" z3="12.71798175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39227191" y3="0.56771736" z3="11.25009207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.4538035" y3="-0.89390395" z3="11.64574614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74989852" y3="0.73343714" z3="10.84377906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69785922" y3="0.36938016" z3="11.27631038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.78800995" y3="1.83925011" z3="10.90674509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69671869" y3="0.29258772" z3="9.37824538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.56055313" y3="-0.80439705" z3="9.33248364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18912206" y3="0.72610636" z3="8.87602068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95871386" y3="0.7013124" z3="8.61593034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07382749" y3="0.61087448" z3="9.1217242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78343817" y3="1.43858451" z3="7.79243056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4687,-2.1721,10.9061;-3.4297,-1.2362,10.3194;-3.1989,-1.9378,11.9527;-4.5129,-2.5402,10.902;-2.5193,-3.2112,10.318;-2.5397,-4.1429,10.9189;-1.4817,-2.8368,10.3461;-2.8403,-3.5832,8.8702;-3.8506,-4.0318,8.8188;-2.1025,-4.3233,8.5132;-1.6552,-2.0123,7.5425;-.5553,-.3317,6.0536;.3332,-.4055,6.7081;-.6734,.7444,5.8028;-.2249,-1.0982,4.7581;-.0387,-2.1552,5.0278;.7211,-.7046,4.3333;-1.3319,-1.0325,3.7073;-1.4826,.022,3.396;-2.276,-1.3508,4.1845;-1.0944,-1.8952,2.4639;-1.9957,-1.8585,1.8218;-.9836,-2.9512,2.7766;.1216,-1.4886,1.6312;.0529,-.4279,1.3255;1.0605,-1.6087,2.1992;.2053,-2.0995,.7139;-.6199,-2.6105,7.864;-1.7587,-.8133,6.8153;-2.7583,-.5245,6.4788;-2.8771,-2.4813,8.0038;.429,.2116,11.6616;.3721,.5359,12.718;1.3923,.5677,11.2501;.4538,-.8939,11.6457;-.7499,.7334,10.8438;-1.6979,.3694,11.2763;-.788,1.8393,10.9067;-.6967,.2926,9.3782;-.5606,-.8044,9.3325;.1891,.7261,8.876;-1.9587,.7013,8.6159;-3.0738,.6109,9.1217;-1.7834,1.4386,7.7924;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604279350616</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001367628720 0.000262087795 0.030039451305 0.008649101488</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023569477 -0.000179407 0.000250149 0.000469279 0.000655836 0.000974605 0.001798738 0.002005252 0.002399263 0.002584780 0.002889475 0.003992291 0.004216641 0.005834716 0.006311436 0.006933590 0.007396083 0.008161812 0.009156496 0.011087507 0.012501194 0.015456557 0.019107286 0.021666303 0.022687079 0.024991773 0.029509392 0.030328317 0.031659854 0.032453788 0.033381528 0.034852321 0.037076332 0.040114470 0.040468970 0.044477194 0.046478183 0.046965779 0.051905113 0.052677035 0.054060624 0.055078975 0.057999001 0.059233343 0.064581158 0.067469394 0.068418658 0.072057496 0.076720453 0.077188783 0.077727863 0.079321448 0.081808433 0.082931032 0.088870998 0.096280074 0.099637002 0.100077864 0.104565102 0.106597286 0.109895447 0.112841507 0.115922748 0.130498378 0.132751447 0.135314549 0.139194976 0.146430897 0.152364767 0.157411203 0.161981126 0.166048200 0.169291738 0.173413670 0.178678861 0.183292133 0.187919716 0.195486733 0.201626249 0.207911258 0.219045570 0.229003694 0.241275373 0.254929212 0.272591306 0.292201470 0.310020404 0.344936590 0.397367715 0.417174536 0.430814418 0.477970363 0.539333153 0.562349308 0.590477482 0.608186856 0.662774596 0.687851581 0.734792270 0.752479887 0.757876253 0.768644708 0.773532932 0.778554462 0.783259709 0.796914818 0.804479994 0.818796895 0.819680725 0.834517362 0.847028491 0.852514342 0.867162996 0.874644264 0.888528177 0.891619183 0.897391896 0.910302114 0.918460115 0.929848021 0.933433055 0.945613987 0.978584051 1.009246735 1.465620264 1.551923065</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="-3.46511943" y3="-2.16623506" z3="10.91137273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42992338" y3="-1.23395139" z3="10.31812197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19114005" y3="-1.92377279" z3="11.95545357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50908243" y3="-2.53614426" z3="10.91407461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51662391" y3="-3.20840034" z3="10.32695236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53493853" y3="-4.13730961" z3="10.93320139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47885464" y3="-2.83300151" z3="10.35033143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.84073054" y3="-3.58828565" z3="8.88142016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.85193587" y3="-4.0358605" z3="8.83382574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.10455514" y3="-4.33189886" z3="8.52784992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65376755" y3="-2.02346947" z3="7.54785218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.55001448" y3="-0.34892955" z3="6.05534487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.33744736" y3="-0.43323646" z3="6.70999262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.66059728" y3="0.72966759" z3="5.81167844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22372062" y3="-1.10792982" z3="4.75455163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04659643" y3="-2.16831486" z3="5.01590213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72585448" y3="-0.7186039" z3="4.33384291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32831257" y3="-1.02483987" z3="3.7030526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46918224" y3="0.03310171" z3="3.39970065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27512948" y3="-1.33848496" z3="4.17724774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09727285" y3="-1.87936433" z3="2.45275955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99643201" y3="-1.82844463" z3="1.80978517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99747417" y3="-2.93856381" z3="2.75702244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1228869" y3="-1.47785113" z3="1.62420617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.06436162" y3="-0.41442074" z3="1.3260939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05921207" y3="-1.61095242" z3="2.19264402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20238762" y3="-2.0824599" z3="0.70194573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61863741" y3="-2.61900377" z3="7.87693125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75620412" y3="-0.8290165" z3="6.81334062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.754979" y3="-0.53973958" z3="6.47490087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87694349" y3="-2.49113624" z3="8.00818284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.42378558" y3="0.21924169" z3="11.66022104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.36473774" y3="0.54914213" z3="12.71376502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38761131" y3="0.57274537" z3="11.24883807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.4489812" y3="-0.88503329" z3="11.65117701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75541298" y3="0.735715" z3="10.83978188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.70299953" y3="0.37407391" z3="11.27300071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79538539" y3="1.84071909" z3="10.89667806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.70055286" y3="0.28854398" z3="9.37844159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.56390825" y3="-0.80749672" z3="9.338701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1851007" y3="0.71869681" z3="8.87555791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96170972" y3="0.69552862" z3="8.61358116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07773343" y3="0.60656301" z3="9.1165528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78485856" y3="1.42780033" z3="7.7864944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4651,-2.1662,10.9114;-3.4299,-1.234,10.3181;-3.1911,-1.9238,11.9555;-4.5091,-2.5361,10.9141;-2.5166,-3.2084,10.327;-2.5349,-4.1373,10.9332;-1.4789,-2.833,10.3503;-2.8407,-3.5883,8.8814;-3.8519,-4.0359,8.8338;-2.1046,-4.3319,8.5278;-1.6538,-2.0235,7.5479;-.55,-.3489,6.0553;.3374,-.4332,6.71;-.6606,.7297,5.8117;-.2237,-1.1079,4.7546;-.0466,-2.1683,5.0159;.7259,-.7186,4.3338;-1.3283,-1.0248,3.7031;-1.4692,.0331,3.3997;-2.2751,-1.3385,4.1772;-1.0973,-1.8794,2.4528;-1.9964,-1.8284,1.8098;-.9975,-2.9386,2.757;.1229,-1.4779,1.6242;.0644,-.4144,1.3261;1.0592,-1.611,2.1926;.2024,-2.0825,.7019;-.6186,-2.619,7.8769;-1.7562,-.829,6.8133;-2.755,-.5397,6.4749;-2.8769,-2.4911,8.0082;.4238,.2192,11.6602;.3647,.5491,12.7138;1.3876,.5727,11.2488;.449,-.885,11.6512;-.7554,.7357,10.8398;-1.703,.3741,11.273;-.7954,1.8407,10.8967;-.7006,.2885,9.3784;-.5639,-.8075,9.3387;.1851,.7187,8.8756;-1.9617,.6955,8.6136;-3.0777,.6066,9.1166;-1.7849,1.4278,7.7865;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604277073129</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000738246887 0.000231322708 0.030748088126 0.008755100824</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023580328 -0.000222795 0.000233209 0.000466622 0.000711606 0.001035258 0.001799012 0.002015489 0.002399721 0.002616311 0.002935259 0.003996841 0.004217764 0.005836234 0.006305805 0.006937231 0.007394820 0.008168280 0.009200935 0.011109430 0.012505636 0.015458838 0.019108555 0.021668036 0.022719602 0.024991867 0.029509193 0.030332960 0.031659758 0.032458349 0.033382565 0.034852501 0.037082350 0.040116531 0.040473391 0.044476862 0.046478292 0.046965868 0.051907928 0.052677491 0.054062602 0.055093593 0.057999487 0.059234900 0.064592467 0.067471828 0.068478047 0.072089423 0.076729046 0.077198849 0.077727874 0.079325963 0.081808579 0.082943230 0.088886050 0.096280818 0.099638794 0.100078865 0.104566119 0.106597028 0.109895151 0.112843099 0.115922925 0.130498527 0.132752156 0.135323988 0.139197627 0.146454309 0.152374241 0.157420838 0.161981733 0.166048309 0.169292778 0.173415775 0.178681975 0.183310516 0.187960297 0.195492377 0.201631731 0.207912302 0.219050493 0.229022563 0.241279678 0.255002052 0.272715923 0.292211126 0.310026524 0.344943993 0.397398669 0.417175440 0.430817171 0.477972225 0.539339024 0.562379492 0.590477632 0.608188138 0.662774783 0.687875037 0.734802843 0.752480215 0.757885607 0.768696346 0.773535305 0.778555541 0.783264633 0.796949814 0.804483528 0.818800978 0.819685484 0.834527083 0.847029687 0.852558304 0.867163411 0.874663116 0.888534338 0.891647129 0.897392090 0.910304569 0.918461911 0.929900068 0.933438471 0.945616179 0.978634544 1.009253634 1.465662263 1.551981738</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="-3.46443095" y3="-2.16886614" z3="10.91402448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42255067" y3="-1.23745116" z3="10.32146804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19611584" y3="-1.92817547" z3="11.95944653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5096765" y3="-2.53326877" z3="10.9104487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51717111" y3="-3.21498532" z3="10.33453223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.54299523" y3="-4.1427766" z3="10.94055652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4784408" y3="-2.84481853" z3="10.36372445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83570226" y3="-3.5949493" z3="8.88813937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8463209" y3="-4.0432201" z3="8.8374195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0975253" y3="-4.33799376" z3="8.53727593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64711093" y3="-2.03313341" z3="7.55179661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.54325753" y3="-0.36156142" z3="6.05598767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.34452987" y3="-0.45309787" z3="6.70957601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.64996356" y3="0.71911755" z3="5.81810609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22271796" y3="-1.11456591" z3="4.75005107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05448041" y3="-2.1784551" z3="5.0041213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.7301288" y3="-0.7304602" z3="4.33199656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32697585" y3="-1.01391792" z3="3.6993013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45630509" y3="0.04721997" z3="3.40210342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27759516" y3="-1.31973866" z3="4.17141496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.1056904" y3="-1.86408735" z3="2.44483142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00394311" y3="-1.79769654" z3="1.80101452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02011404" y3="-2.9264298" z3="2.74284743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12152542" y3="-1.47366348" z3="1.62132627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07746503" y3="-0.40770301" z3="1.32957462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0556438" y3="-1.62220608" z3="2.19063298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19443827" y3="-2.07405279" z3="0.69613821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.6129056" y3="-2.62868206" z3="7.88112659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.74961402" y3="-0.84143104" z3="6.81326583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.74861844" y3="-0.55366884" z3="6.47403483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8704872" y3="-2.49848566" z3="8.01518145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41796553" y3="0.23293301" z3="11.66419982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.35994239" y3="0.57208558" z3="12.71591807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38355107" y3="0.57953422" z3="11.24988327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.43811439" y3="-0.8726083" z3="11.66383938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75716194" y3="0.74774336" z3="10.83701675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.70749069" y3="0.3935048" z3="11.27300704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79071234" y3="1.85445486" z3="10.88421598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.70366166" y3="0.28563637" z3="9.37800188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.57497365" y3="-0.81263833" z3="9.34806773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18569475" y3="0.70577997" z3="8.87056333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96159979" y3="0.69184056" z3="8.60901812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0791359" y3="0.60435383" z3="9.10793841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78191628" y3="1.41997217" z3="7.77923817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4644,-2.1689,10.914;-3.4226,-1.2375,10.3215;-3.1961,-1.9282,11.9594;-4.5097,-2.5333,10.9104;-2.5172,-3.215,10.3345;-2.543,-4.1428,10.9406;-1.4784,-2.8448,10.3637;-2.8357,-3.5949,8.8881;-3.8463,-4.0432,8.8374;-2.0975,-4.338,8.5373;-1.6471,-2.0331,7.5518;-.5433,-.3616,6.056;.3445,-.4531,6.7096;-.65,.7191,5.8181;-.2227,-1.1146,4.7501;-.0545,-2.1785,5.0041;.7301,-.7305,4.332;-1.327,-1.0139,3.6993;-1.4563,.0472,3.4021;-2.2776,-1.3197,4.1714;-1.1057,-1.8641,2.4448;-2.0039,-1.7977,1.801;-1.0201,-2.9264,2.7428;.1215,-1.4737,1.6213;.0775,-.4077,1.3296;1.0556,-1.6222,2.1906;.1944,-2.0741,.6961;-.6129,-2.6287,7.8811;-1.7496,-.8414,6.8133;-2.7486,-.5537,6.474;-2.8705,-2.4985,8.0152;.418,.2329,11.6642;.3599,.5721,12.7159;1.3836,.5795,11.2499;.4381,-.8726,11.6638;-.7572,.7477,10.837;-1.7075,.3935,11.273;-.7907,1.8545,10.8842;-.7037,.2856,9.378;-.575,-.8126,9.3481;.1857,.7058,8.8706;-1.9616,.6918,8.609;-3.0791,.6044,9.1079;-1.7819,1.42,7.7792;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604272521578</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001304899405 0.000305554205 0.030076740691 0.008569073144</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023580483 -0.000217286 0.000230245 0.000477006 0.000742474 0.001071185 0.001799007 0.002043052 0.002399445 0.002620478 0.003009602 0.003997088 0.004219152 0.005837979 0.006313438 0.006942874 0.007405162 0.008174899 0.009251309 0.011120137 0.012505595 0.015464544 0.019108753 0.021670813 0.022740812 0.024993180 0.029509334 0.030342652 0.031659721 0.032464523 0.033384344 0.034854075 0.037086495 0.040118453 0.040474730 0.044478776 0.046478331 0.046966052 0.051911476 0.052677363 0.054065019 0.055103982 0.058006983 0.059234417 0.064602147 0.067474907 0.068543330 0.072129929 0.076728942 0.077205574 0.077728188 0.079334705 0.081810284 0.082961784 0.088888653 0.096283915 0.099642943 0.100079491 0.104578685 0.106598169 0.109895674 0.112844163 0.115923585 0.130498839 0.132758730 0.135334612 0.139198605 0.146469194 0.152384153 0.157420943 0.161981780 0.166048447 0.169293492 0.173419155 0.178697183 0.183327137 0.187982435 0.195492123 0.201656543 0.207915707 0.219055498 0.229062458 0.241286277 0.255051014 0.272970834 0.292240663 0.310034692 0.344952247 0.397472071 0.417176585 0.430820200 0.477977119 0.539339052 0.562416172 0.590477899 0.608188152 0.662775505 0.687932503 0.734802967 0.752482025 0.757889757 0.768788220 0.773539997 0.778557093 0.783273733 0.797024013 0.804483877 0.818800983 0.819695829 0.834581278 0.847036640 0.852569752 0.867166382 0.874666408 0.888571665 0.891710256 0.897392826 0.910330194 0.918463881 0.929965429 0.933451417 0.945616511 0.978660040 1.009254978 1.465663336 1.552062289</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="-3.46361971" y3="-2.16451552" z3="10.91462578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42526868" y3="-1.23650117" z3="10.31459871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19276934" y3="-1.91515876" z3="11.95789045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5082244" y3="-2.5325788" z3="10.91649929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51527607" y3="-3.2123251" z3="10.34093812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53806498" y3="-4.13699054" z3="10.95369989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47684897" y3="-2.83893335" z3="10.36554348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83448153" y3="-3.6008145" z3="8.89668067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8454371" y3="-4.04839304" z3="8.8486868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09748383" y3="-4.34661136" z3="8.55023352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64239299" y3="-2.04440403" z3="7.55808008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.53447684" y3="-0.37909522" z3="6.05849725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.35279892" y3="-0.48317461" z3="6.71044832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.63254185" y3="0.70417556" z3="5.82900341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22084893" y3="-1.12362643" z3="4.74595254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05922855" y3="-2.19082826" z3="4.9905278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.733994" y3="-0.74228922" z3="4.3297461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32546455" y3="-1.00727263" z3="3.6969997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.44747596" y3="0.05736835" z3="3.40786747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27778542" y3="-1.31005411" z3="4.1678764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11171104" y3="-1.84977384" z3="2.43526635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.0094602" y3="-1.77002245" z3="1.79229818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03566151" y3="-2.91569292" z3="2.72485379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11881378" y3="-1.46399141" z3="1.613778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.0853532" y3="-0.39458099" z3="1.33171685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05171597" y3="-1.62750513" z3="2.18081756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.18513199" y3="-2.05667725" z3="0.68271944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.60855218" y3="-2.63667412" z3="7.8970385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.74313384" y3="-0.85606218" z3="6.81389304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7410226" y3="-0.56921889" z3="6.47088908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.86744592" y3="-2.50943348" z3="8.01635148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41074113" y3="0.24113385" z3="11.66711537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.34914834" y3="0.5852361" z3="12.71605629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.37756738" y3="0.5847797" z3="11.25485937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.43097517" y3="-0.86352211" z3="11.67267879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.76252837" y3="0.75243636" z3="10.83466412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.71334414" y3="0.4011716" z3="11.26930766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79704319" y3="1.85837654" z3="10.87612825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.70505022" y3="0.28434494" z3="9.37960341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.57517408" y3="-0.81300129" z3="9.35622292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18470173" y3="0.70153863" z3="8.87306843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96127583" y3="0.68673691" z3="8.60511382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07992666" y3="0.60184931" z3="9.10287456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78028392" y3="1.4099622" z3="7.77066182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4636,-2.1645,10.9146;-3.4253,-1.2365,10.3146;-3.1928,-1.9152,11.9579;-4.5082,-2.5326,10.9165;-2.5153,-3.2123,10.3409;-2.5381,-4.137,10.9537;-1.4768,-2.8389,10.3655;-2.8345,-3.6008,8.8967;-3.8454,-4.0484,8.8487;-2.0975,-4.3466,8.5502;-1.6424,-2.0444,7.5581;-.5345,-.3791,6.0585;.3528,-.4832,6.7104;-.6325,.7042,5.829;-.2208,-1.1236,4.746;-.0592,-2.1908,4.9905;.734,-.7423,4.3297;-1.3255,-1.0073,3.697;-1.4475,.0574,3.4079;-2.2778,-1.3101,4.1679;-1.1117,-1.8498,2.4353;-2.0095,-1.77,1.7923;-1.0357,-2.9157,2.7249;.1188,-1.464,1.6138;.0854,-.3946,1.3317;1.0517,-1.6275,2.1808;.1851,-2.0567,.6827;-.6086,-2.6367,7.897;-1.7431,-.8561,6.8139;-2.741,-.5692,6.4709;-2.8674,-2.5094,8.0164;.4107,.2411,11.6671;.3491,.5852,12.7161;1.3776,.5848,11.2549;.431,-.8635,11.6727;-.7625,.7524,10.8347;-1.7133,.4012,11.2693;-.797,1.8584,10.8761;-.7051,.2843,9.3796;-.5752,-.813,9.3562;.1847,.7015,8.8731;-1.9613,.6867,8.6051;-3.0799,.6018,9.1029;-1.7803,1.41,7.7707;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604269260597</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001371407714 0.000269483310 0.029498737661 0.008722996051</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023581113 -0.000171015 0.000229655 0.000510822 0.000760266 0.001105763 0.001801688 0.002073448 0.002400242 0.002624262 0.003063956 0.004002043 0.004220368 0.005840342 0.006310543 0.006950670 0.007408069 0.008176825 0.009302758 0.011128591 0.012505563 0.015472594 0.019109097 0.021672257 0.022747164 0.024996294 0.029509480 0.030353773 0.031659903 0.032467155 0.033383878 0.034858172 0.037089273 0.040118721 0.040474620 0.044488069 0.046478613 0.046966386 0.051912608 0.052679181 0.054070444 0.055107825 0.058011403 0.059234475 0.064605427 0.067477874 0.068598341 0.072161729 0.076731485 0.077205698 0.077728341 0.079341761 0.081813385 0.082966065 0.088889511 0.096297056 0.099647904 0.100079825 0.104579479 0.106597796 0.109896854 0.112844891 0.115923491 0.130499567 0.132769879 0.135342262 0.139199091 0.146473285 0.152388946 0.157422382 0.161981336 0.166049594 0.169301720 0.173436282 0.178719427 0.183327329 0.188005967 0.195492471 0.201670517 0.207916052 0.219154675 0.229068969 0.241293734 0.255051722 0.273033162 0.292332950 0.310040569 0.344956099 0.397537745 0.417179111 0.430820413 0.477976591 0.539338933 0.562460609 0.590477987 0.608192566 0.662775803 0.687958866 0.734804967 0.752481987 0.757897622 0.768811374 0.773540026 0.778557230 0.783290171 0.797120357 0.804486898 0.818802341 0.819713872 0.834618139 0.847043256 0.852572807 0.867175808 0.874671824 0.888576310 0.891748703 0.897409592 0.910342724 0.918472476 0.929992408 0.933457857 0.945617307 0.978718838 1.009268385 1.465665191 1.552252167</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="-3.46447877" y3="-2.167014" z3="10.91237234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42587961" y3="-1.23624797" z3="10.31732097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19382326" y3="-1.9231592" z3="11.95679365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50903428" y3="-2.53466487" z3="10.9122352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51611358" y3="-3.2119954" z3="10.33323491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53831805" y3="-4.13921113" z3="10.94148369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47790337" y3="-2.83870369" z3="10.35916549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83633957" y3="-3.59450691" z3="8.88773398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84708796" y3="-4.04256336" z3="8.83870317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09899991" y3="-4.33827805" z3="8.53733009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64736475" y3="-2.03283593" z3="7.5523087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.54272435" y3="-0.36182696" z3="6.05653332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.34493607" y3="-0.45455824" z3="6.70969226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.64833528" y3="0.71883745" z3="5.81922139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22260161" y3="-1.11429413" z3="4.75029338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05311353" y3="-2.17792571" z3="5.00394393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72955933" y3="-0.72917381" z3="4.3315919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32734" y3="-1.01506764" z3="3.70014309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45811749" y3="0.04593512" z3="3.40277894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27723498" y3="-1.32209341" z3="4.17295657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10557882" y3="-1.86518097" z3="2.44533569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00395666" y3="-1.79952119" z3="1.80205225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01898236" y3="-2.92752735" z3="2.7433901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1207829" y3="-1.47386881" z3="1.62064105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07629699" y3="-0.40766914" z3="1.32962368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05516051" y3="-1.62279482" z3="2.18885097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19323512" y3="-2.07350311" z3="0.69476506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61285621" y3="-2.62712384" z3="7.88459237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.74947095" y3="-0.8409384" z3="6.81389301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.74810654" y3="-0.55330386" z3="6.47364875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87111625" y3="-2.49932463" z3="8.0125005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41724206" y3="0.23027322" z3="11.66427675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.35725714" y3="0.56704355" z3="12.71590867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38269629" y3="0.57872776" z3="11.25231721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.43937057" y3="-0.87455036" z3="11.66202627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75838591" y3="0.74495681" z3="10.83749969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.70800679" y3="0.38872874" z3="11.27148499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79460421" y3="1.850757" z3="10.88685598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.7025759" y3="0.2869658" z3="9.37871715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.57013126" y3="-0.81011157" z3="9.34701217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18550584" y3="0.71035822" z3="8.87363587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96114307" y3="0.69178222" z3="8.60916144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07847725" y3="0.60454398" z3="9.10944172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78220207" y3="1.4200159" z3="7.77890454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4645,-2.167,10.9124;-3.4259,-1.2362,10.3173;-3.1938,-1.9232,11.9568;-4.509,-2.5347,10.9122;-2.5161,-3.212,10.3332;-2.5383,-4.1392,10.9415;-1.4779,-2.8387,10.3592;-2.8363,-3.5945,8.8877;-3.8471,-4.0426,8.8387;-2.099,-4.3383,8.5373;-1.6474,-2.0328,7.5523;-.5427,-.3618,6.0565;.3449,-.4546,6.7097;-.6483,.7188,5.8192;-.2226,-1.1143,4.7503;-.0531,-2.1779,5.0039;.7296,-.7292,4.3316;-1.3273,-1.0151,3.7001;-1.4581,.0459,3.4028;-2.2772,-1.3221,4.173;-1.1056,-1.8652,2.4453;-2.004,-1.7995,1.8021;-1.019,-2.9275,2.7434;.1208,-1.4739,1.6206;.0763,-.4077,1.3296;1.0552,-1.6228,2.1889;.1932,-2.0735,.6948;-.6129,-2.6271,7.8846;-1.7495,-.8409,6.8139;-2.7481,-.5533,6.4736;-2.8711,-2.4993,8.0125;.4172,.2303,11.6643;.3573,.567,12.7159;1.3827,.5787,11.2523;.4394,-.8746,11.662;-.7584,.745,10.8375;-1.708,.3887,11.2715;-.7946,1.8508,10.8869;-.7026,.287,9.3787;-.5701,-.8101,9.347;.1855,.7104,8.8736;-1.9611,.6918,8.6092;-3.0785,.6045,9.1094;-1.7822,1.42,7.7789;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604278124610</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000455188006 0.000080337949 0.026461228566 0.008717066216</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023588206 0.000028286 0.000122786 0.000336428 0.000614985 0.001084182 0.001790271 0.001959942 0.002405202 0.002638491 0.002972211 0.003994305 0.004225860 0.005862523 0.006036639 0.006985923 0.007251052 0.008163002 0.009587000 0.011202059 0.012507182 0.015480794 0.019110918 0.021678051 0.022773753 0.025003669 0.029513144 0.030384853 0.031657163 0.032456257 0.033378896 0.034866215 0.037102107 0.040118241 0.040471046 0.044512445 0.046481198 0.046968020 0.051919949 0.052680447 0.054078334 0.055129080 0.058030962 0.059236932 0.064636304 0.067492341 0.068812045 0.072281966 0.076728513 0.077195073 0.077727826 0.079383811 0.081832539 0.082954081 0.088884577 0.096350114 0.099664540 0.100078971 0.104553992 0.106595618 0.109903394 0.112849848 0.115921704 0.130504345 0.132821828 0.135374986 0.139198334 0.146512629 0.152414797 0.157423698 0.161981954 0.166052580 0.169318018 0.173449615 0.178782440 0.183390275 0.188153210 0.195492244 0.201701360 0.207924286 0.219244777 0.229060140 0.241295618 0.255116827 0.273059178 0.292485541 0.310069704 0.344971986 0.397689441 0.417181085 0.430820359 0.477979612 0.539338749 0.562571666 0.590478150 0.608200038 0.662778162 0.688000230 0.734806834 0.752481606 0.757914881 0.768825869 0.773539878 0.778563116 0.783297809 0.797339863 0.804492084 0.818805319 0.819759453 0.834674332 0.847055581 0.852615180 0.867187079 0.874701682 0.888573809 0.891838685 0.897435322 0.910371217 0.918481972 0.930029617 0.933467399 0.945625257 0.978879655 1.009314707 1.465667925 1.552671155</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="-3.46507684" y3="-2.16843512" z3="10.9078578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43016991" y3="-1.23615716" z3="10.31499456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.1936492" y3="-1.92610891" z3="11.95238146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50824123" y3="-2.53988205" z3="10.90847283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51369837" y3="-3.2084843" z3="10.32479548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53182123" y3="-4.13735278" z3="10.93037283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47689064" y3="-2.83167572" z3="10.35038184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83449297" y3="-3.58793067" z3="8.87876526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8446308" y3="-4.0371936" z3="8.82930424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09640426" y3="-4.32962196" z3="8.52560685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64887143" y3="-2.02100518" z3="7.54665731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5473876" y3="-0.34484" z3="6.054575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.34098873" y3="-0.42809701" z3="6.70844612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.65926243" y3="0.73367095" z3="5.81042967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2231586" y3="-1.10483111" z3="4.75357363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04650475" y3="-2.16544147" z3="5.01530981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72620098" y3="-0.71663754" z3="4.33139523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32947057" y3="-1.02064805" z3="3.70352324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46698867" y3="0.0371579" z3="3.39768624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27701524" y3="-1.32952461" z3="4.17975253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10408384" y3="-1.87960976" z3="2.45539748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00343722" y3="-1.82400495" z3="1.81233734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01141198" y3="-2.93907579" z3="2.76188233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11932691" y3="-1.48829353" z3="1.62647149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.06936716" y3="-0.42430865" z3="1.32804716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05521583" y3="-1.62880588" z3="2.19463064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19333612" y3="-2.09406308" z3="0.70464549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61356309" y3="-2.61641596" z3="7.87336332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7523148" y3="-0.82519824" z3="6.81435424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.75156009" y3="-0.5376642" z3="6.47575753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87141929" y3="-2.49021037" z3="8.00688755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41803044" y3="0.21615707" z3="11.6654371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.3556405" y3="0.54199052" z3="12.72049078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38298181" y3="0.57216291" z3="11.25821135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.44398085" y3="-0.88873843" z3="11.651885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75813202" y3="0.73503892" z3="10.84217246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.70725108" y3="0.37129176" z3="11.27118164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79800043" y3="1.84031249" z3="10.90299753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69879944" y3="0.29231307" z3="9.37832476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55962614" y3="-0.80377937" z3="9.33512078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18707998" y3="0.72667777" z3="8.87828799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95926956" y3="0.69766383" z3="8.61144463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07578353" y3="0.60822288" z3="9.11357903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78212386" y3="1.43076271" z3="7.7851833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" 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 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4651,-2.1684,10.9079;-3.4302,-1.2362,10.315;-3.1936,-1.9261,11.9524;-4.5082,-2.5399,10.9085;-2.5137,-3.2085,10.3248;-2.5318,-4.1374,10.9304;-1.4769,-2.8317,10.3504;-2.8345,-3.5879,8.8788;-3.8446,-4.0372,8.8293;-2.0964,-4.3296,8.5256;-1.6489,-2.021,7.5467;-.5474,-.3448,6.0546;.341,-.4281,6.7084;-.6593,.7337,5.8104;-.2232,-1.1048,4.7536;-.0465,-2.1654,5.0153;.7262,-.7166,4.3314;-1.3295,-1.0206,3.7035;-1.467,.0372,3.3977;-2.277,-1.3295,4.1798;-1.1041,-1.8796,2.4554;-2.0034,-1.824,1.8123;-1.0114,-2.9391,2.7619;.1193,-1.4883,1.6265;.0694,-.4243,1.328;1.0552,-1.6288,2.1946;.1933,-2.0941,.7046;-.6136,-2.6164,7.8734;-1.7523,-.8252,6.8144;-2.7516,-.5377,6.4758;-2.8714,-2.4902,8.0069;.418,.2162,11.6654;.3556,.542,12.7205;1.383,.5722,11.2582;.444,-.8887,11.6519;-.7581,.735,10.8422;-1.7073,.3713,11.2712;-.798,1.8403,10.903;-.6988,.2923,9.3783;-.5596,-.8038,9.3351;.1871,.7267,8.8783;-1.9593,.6977,8.6114;-3.0758,.6082,9.1136;-1.7821,1.4308,7.7852;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604282487704</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000324113993 0.000095602664 0.034853835237 0.008696830882</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023562398 -0.000185271 0.000045254 0.000544019 0.000569896 0.000983722 0.001784564 0.001958748 0.002403892 0.002602981 0.002925994 0.003992878 0.004227690 0.005774018 0.005942589 0.006978551 0.007204712 0.008162800 0.009483932 0.011185335 0.012501013 0.015483991 0.019110815 0.021678813 0.022790198 0.025003326 0.029514321 0.030393089 0.031654877 0.032462099 0.033384041 0.034865955 0.037108060 0.040118807 0.040474195 0.044512303 0.046481401 0.046967622 0.051918250 0.052677385 0.054077830 0.055130155 0.058032852 0.059241143 0.064629918 0.067491752 0.068824854 0.072307051 0.076707080 0.077202623 0.077727184 0.079375795 0.081828852 0.082966644 0.088893547 0.096323111 0.099663980 0.100078659 0.104542743 0.106595178 0.109903628 0.112846854 0.115921740 0.130504263 0.132815476 0.135375341 0.139197870 0.146502591 0.152419386 0.157413590 0.161981925 0.166052069 0.169318485 0.173443697 0.178780460 0.183376006 0.188108478 0.195476569 0.201706936 0.207920928 0.219221152 0.229055380 0.241288934 0.255121890 0.273060221 0.292481815 0.310073746 0.344973379 0.397693918 0.417179806 0.430820963 0.477980821 0.539333796 0.562575264 0.590477166 0.608197906 0.662777743 0.687987453 0.734805828 0.752476951 0.757915840 0.768797166 0.773539857 0.778560123 0.783295542 0.797335643 0.804485347 0.818802908 0.819758823 0.834660467 0.847055216 0.852589781 0.867185340 0.874688900 0.888560925 0.891831046 0.897430825 0.910369303 0.918473247 0.930014818 0.933464614 0.945613822 0.978877935 1.009283247 1.465659528 1.552669354</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="-3.46477203" y3="-2.1722569" z3="10.90267452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.42610352" y3="-1.23760373" z3="10.31417083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20090605" y3="-1.93443761" z3="11.9503166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50800389" y3="-2.54333873" z3="10.89402563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50945239" y3="-3.21034028" z3="10.32158901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52848722" y3="-4.14043654" z3="10.92555358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47314389" y3="-2.83184695" z3="10.35279176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82412147" y3="-3.58877797" z3="8.87344139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8314728" y3="-4.04449735" z3="8.82007789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08003217" y3="-4.32523609" z3="8.52078375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64589756" y3="-2.01398511" z3="7.54421625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.55253554" y3="-0.33198219" z3="6.05278632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.33690554" y3="-0.41150531" z3="6.70493375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.66853895" y3="0.74554659" z3="5.80793052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22742649" y3="-1.09209734" z3="4.75242719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05121714" y3="-2.15234347" z3="5.01484462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72235071" y3="-0.70455674" z3="4.33047459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33243218" y3="-1.00814029" z3="3.70142615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46131125" y3="0.04787168" z3="3.38652289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28281143" y3="-1.30595057" z3="4.17919035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11230089" y3="-1.87946733" z3="2.46121774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00699754" y3="-1.81589607" z3="1.81258092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03676553" y3="-2.93756434" z3="2.77645967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12204218" y3="-1.51235204" z3="1.63729504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09064463" y3="-0.44985717" z3="1.33167283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05192582" y3="-1.66365972" z3="2.2123222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19251634" y3="-2.12534286" z3="0.72013566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.60728824" y3="-2.60536855" z3="7.87065453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75471876" y3="-0.81655197" z3="6.81462786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.75541549" y3="-0.53175934" z3="6.4779759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8661119" y3="-2.48927667" z3="8.0031993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41749103" y3="0.21017769" z3="11.66461995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.3533486" y3="0.53175664" z3="12.72085899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38296353" y3="0.56772658" z3="11.26001583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.44321323" y3="-0.8945064" z3="11.64671709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75864592" y3="0.7320842" z3="10.84296409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.70794851" y3="0.36658026" z3="11.27079433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79946621" y3="1.83714741" z3="10.9068661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69819863" y3="0.29360531" z3="9.37881676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55572456" y3="-0.8020621" z3="9.33310353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18700288" y3="0.73078963" z3="8.87985771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96018037" y3="0.6981744" z3="8.61327548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07630048" y3="0.60602161" z3="9.11642992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78403728" y3="1.43490305" z3="7.78973382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4648,-2.1723,10.9027;-3.4261,-1.2376,10.3142;-3.2009,-1.9344,11.9503;-4.508,-2.5433,10.894;-2.5095,-3.2103,10.3216;-2.5285,-4.1404,10.9256;-1.4731,-2.8318,10.3528;-2.8241,-3.5888,8.8734;-3.8315,-4.0445,8.8201;-2.08,-4.3252,8.5208;-1.6459,-2.014,7.5442;-.5525,-.332,6.0528;.3369,-.4115,6.7049;-.6685,.7455,5.8079;-.2274,-1.0921,4.7524;-.0512,-2.1523,5.0148;.7224,-.7046,4.3305;-1.3324,-1.0081,3.7014;-1.4613,.0479,3.3865;-2.2828,-1.306,4.1792;-1.1123,-1.8795,2.4612;-2.007,-1.8159,1.8126;-1.0368,-2.9376,2.7765;.122,-1.5124,1.6373;.0906,-.4499,1.3317;1.0519,-1.6637,2.2123;.1925,-2.1253,.7201;-.6073,-2.6054,7.8707;-1.7547,-.8166,6.8146;-2.7554,-.5318,6.478;-2.8661,-2.4893,8.0032;.4175,.2102,11.6646;.3533,.5318,12.7209;1.383,.5677,11.26;.4432,-.8945,11.6467;-.7586,.7321,10.843;-1.7079,.3666,11.2708;-.7995,1.8371,10.9069;-.6982,.2936,9.3788;-.5557,-.8021,9.3331;.187,.7308,8.8799;-1.9602,.6982,8.6133;-3.0763,.606,9.1164;-1.784,1.4349,7.7897;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604282452852</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001600674812 0.000263760458 0.026465853562 0.008692540364</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023562406 -0.000107024 0.000110942 0.000561367 0.000682124 0.000984768 0.001785522 0.001959432 0.002404561 0.002603064 0.002959883 0.003995684 0.004228515 0.005772238 0.005955647 0.006978336 0.007204243 0.008163098 0.009495817 0.011220959 0.012501324 0.015484981 0.019113470 0.021679069 0.022804531 0.025005682 0.029516177 0.030399863 0.031654237 0.032467104 0.033390333 0.034865984 0.037112828 0.040119343 0.040475260 0.044517567 0.046481784 0.046967616 0.051918270 0.052678803 0.054080092 0.055133930 0.058034370 0.059251885 0.064629456 0.067495962 0.068835624 0.072317918 0.076707109 0.077204455 0.077727918 0.079378718 0.081829239 0.082968512 0.088895237 0.096323683 0.099664054 0.100079145 0.104541032 0.106595877 0.109905487 0.112846760 0.115922506 0.130507423 0.132815549 0.135376324 0.139198009 0.146502868 0.152421652 0.157413031 0.161982092 0.166052579 0.169318250 0.173445835 0.178781199 0.183381183 0.188113646 0.195474703 0.201708083 0.207927374 0.219222530 0.229066382 0.241289444 0.255147799 0.273061275 0.292503287 0.310091589 0.344972715 0.397695479 0.417186272 0.430851290 0.477990609 0.539338699 0.562593047 0.590477163 0.608198067 0.662777889 0.687987829 0.734805886 0.752482443 0.757930448 0.768806884 0.773540893 0.778561354 0.783295889 0.797336050 0.804485769 0.818804391 0.819762763 0.834659956 0.847056834 0.852590672 0.867188829 0.874689940 0.888574476 0.891841732 0.897430894 0.910372335 0.918481957 0.930013820 0.933465673 0.945617086 0.978988727 1.009282861 1.465741345 1.552848997</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="-3.46310032" y3="-2.17504511" z3="10.89980646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43197712" y3="-1.23956307" z3="10.31167366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19529493" y3="-1.93650955" z3="11.94598772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50418443" y3="-2.55304317" z3="10.89624208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50410302" y3="-3.20632642" z3="10.31336651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51590393" y3="-4.13783708" z3="10.91513623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.469655" y3="-2.82212622" z3="10.3407677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82225792" y3="-3.581798" z3="8.86608167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82975476" y3="-4.03663973" z3="8.81455698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07989145" y3="-4.31721898" z3="8.50934561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64609817" y3="-2.00417973" z3="7.53836259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.55483559" y3="-0.31738278" z3="6.05116775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.33572114" y3="-0.38859221" z3="6.70373013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.67652847" y3="0.75852331" z3="5.80070779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22735686" y3="-1.08380549" z3="4.7549294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04727559" y3="-2.14198019" z3="5.02371376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72083707" y3="-0.69528352" z3="4.330495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33327194" y3="-1.00936744" z3="3.70383122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46372339" y3="0.0442463" z3="3.38080695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28283925" y3="-1.30470213" z3="4.18472192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11357289" y3="-1.89028047" z3="2.47002971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00833294" y3="-1.83130478" z3="1.82120932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03837696" y3="-2.94614965" z3="2.79329465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12043738" y3="-1.53018112" z3="1.64253199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09026726" y3="-0.46958603" z3="1.3300701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05045777" y3="-1.6790361" z3="2.21756348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.18915768" y3="-2.14909626" z3="0.72923127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.60824534" y3="-2.59897858" z3="7.85509449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75501029" y3="-0.80277095" z3="6.81589764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.75635158" y3="-0.51806685" z3="6.48088201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.86520606" y3="-2.48008309" z3="7.99993068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41435289" y3="0.19678716" z3="11.66778447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.34625281" y3="0.50529078" z3="12.72768959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.37875634" y3="0.56462991" z3="11.27001987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.44672238" y3="-0.90773311" z3="11.63684569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.76147103" y3="0.72151736" z3="10.84808599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.70997439" y3="0.3461023" z3="11.2680437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.80779718" y3="1.82559675" z3="10.92568137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69498013" y3="0.30137399" z3="9.37772935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.54395049" y3="-0.79248506" z3="9.31832162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18734409" y3="0.75319747" z3="8.88609933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95846239" y3="0.70456976" z3="8.61356496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07390788" y3="0.60961263" z3="9.11828235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78497692" y3="1.44509244" z3="7.79305808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4631,-2.175,10.8998;-3.432,-1.2396,10.3117;-3.1953,-1.9365,11.946;-4.5042,-2.553,10.8962;-2.5041,-3.2063,10.3134;-2.5159,-4.1378,10.9151;-1.4697,-2.8221,10.3408;-2.8223,-3.5818,8.8661;-3.8298,-4.0366,8.8146;-2.0799,-4.3172,8.5093;-1.6461,-2.0042,7.5384;-.5548,-.3174,6.0512;.3357,-.3886,6.7037;-.6765,.7585,5.8007;-.2274,-1.0838,4.7549;-.0473,-2.142,5.0237;.7208,-.6953,4.3305;-1.3333,-1.0094,3.7038;-1.4637,.0442,3.3808;-2.2828,-1.3047,4.1847;-1.1136,-1.8903,2.47;-2.0083,-1.8313,1.8212;-1.0384,-2.9461,2.7933;.1204,-1.5302,1.6425;.0903,-.4696,1.3301;1.0505,-1.679,2.2176;.1892,-2.1491,.7292;-.6082,-2.599,7.8551;-1.755,-.8028,6.8159;-2.7564,-.5181,6.4809;-2.8652,-2.4801,7.9999;.4144,.1968,11.6678;.3463,.5053,12.7277;1.3788,.5646,11.27;.4467,-.9077,11.6368;-.7615,.7215,10.8481;-1.71,.3461,11.268;-.8078,1.8256,10.9257;-.695,.3014,9.3777;-.544,-.7925,9.3183;.1873,.7532,8.8861;-1.9585,.7046,8.6136;-3.0739,.6096,9.1183;-1.785,1.4451,7.7931;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604285444254</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001609947101 0.000275231890 0.029397226681 0.008716010834</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023563984 -0.000218422 0.000153477 0.000561921 0.000762629 0.000992126 0.001785632 0.001960923 0.002406422 0.002603300 0.002981319 0.004000766 0.004228905 0.005773143 0.006006719 0.006978268 0.007204650 0.008162298 0.009524003 0.011298839 0.012502309 0.015488219 0.019114215 0.021680344 0.022827729 0.025013950 0.029518608 0.030408280 0.031654293 0.032471457 0.033395310 0.034865936 0.037118752 0.040118691 0.040479612 0.044522256 0.046482227 0.046967788 0.051918164 0.052679669 0.054082450 0.055137433 0.058034217 0.059260992 0.064629403 0.067502954 0.068858657 0.072336447 0.076707573 0.077204004 0.077730702 0.079380148 0.081829440 0.082971563 0.088895152 0.096321124 0.099664324 0.100079153 0.104533895 0.106596651 0.109908731 0.112846775 0.115924421 0.130514871 0.132815364 0.135376384 0.139198009 0.146504004 0.152427856 0.157412262 0.161982021 0.166053588 0.169317627 0.173446661 0.178782344 0.183382623 0.188112903 0.195473589 0.201708361 0.207951884 0.219221187 0.229062454 0.241289827 0.255151530 0.273024439 0.292513521 0.310117323 0.344972173 0.397697327 0.417194825 0.430893635 0.478000211 0.539351351 0.562608219 0.590477497 0.608198436 0.662778024 0.687995688 0.734806476 0.752486396 0.757940411 0.768845841 0.773540860 0.778564079 0.783297307 0.797336590 0.804486779 0.818805214 0.819764334 0.834662653 0.847066152 0.852590731 0.867194900 0.874690395 0.888572740 0.891840650 0.897432327 0.910387684 0.918490227 0.930052123 0.933467746 0.945621418 0.979126410 1.009282082 1.465817318 1.553042570</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="-3.46447674" y3="-2.17633272" z3="10.89476651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43093778" y3="-1.23783392" z3="10.31221089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.1988324" y3="-1.94433981" z3="11.9430511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50566103" y3="-2.55209988" z3="10.88681972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50611416" y3="-3.20564597" z3="10.30436161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51911277" y3="-4.13922512" z3="10.90236393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47200532" y3="-2.82264813" z3="10.33460387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82289467" y3="-3.57652234" z3="8.85512856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82943878" y3="-4.0333593" z3="8.80127957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07857557" y3="-4.30962151" z3="8.49662173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64998921" y3="-1.99158553" z3="7.53426799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56266695" y3="-0.30004202" z3="6.04901959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32789885" y3="-0.36187868" z3="6.70241268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69062741" y3="0.77338363" z3="5.7919492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22889815" y3="-1.07315387" z3="4.75809018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03995215" y3="-2.1279194" z3="5.03469256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71623664" y3="-0.68001243" z3="4.33088718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33564267" y3="-1.01610586" z3="3.7063535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47455691" y3="0.03368982" z3="3.37439604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28282788" y3="-1.31487011" z3="4.18973032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10908173" y3="-1.90582738" z3="2.48022041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.0050046" y3="-1.860702" z3="1.83135015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02404443" y3="-2.95806397" z3="2.8126167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12107309" y3="-1.54174393" z3="1.64920822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08101455" y3="-0.48416578" z3="1.32775249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05292519" y3="-1.67728133" z3="2.22515484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19475222" y3="-2.16789535" z3="0.7411192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.60939134" y3="-2.58367139" z3="7.85382792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76150958" y3="-0.78766878" z3="6.8148931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76323218" y3="-0.50268428" z3="6.48166591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.86823338" y3="-2.47218248" z3="7.9911972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.42192608" y3="0.18690757" z3="11.66536178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.35397608" y3="0.48903285" z3="12.72713153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38479333" y3="0.55983621" z3="11.26848135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.4573533" y3="-0.91721147" z3="11.62791505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75765925" y3="0.7135591" z3="10.85148951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.70403202" y3="0.33215095" z3="11.27128338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.80834055" y3="1.81683866" z3="10.93574741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69174868" y3="0.30301259" z3="9.37923804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.53589967" y3="-0.78997786" z3="9.31363879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18835566" y3="0.76007092" z3="8.88923806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95830591" y3="0.70823727" z3="8.61971001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07241901" y3="0.61077035" z3="9.12765804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.7865539" y3="1.45416998" z3="7.80346702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4645,-2.1763,10.8948;-3.4309,-1.2378,10.3122;-3.1988,-1.9443,11.9431;-4.5057,-2.5521,10.8868;-2.5061,-3.2056,10.3044;-2.5191,-4.1392,10.9024;-1.472,-2.8226,10.3346;-2.8229,-3.5765,8.8551;-3.8294,-4.0334,8.8013;-2.0786,-4.3096,8.4966;-1.65,-1.9916,7.5343;-.5627,-.3,6.049;.3279,-.3619,6.7024;-.6906,.7734,5.7919;-.2289,-1.0732,4.7581;-.04,-2.1279,5.0347;.7162,-.68,4.3309;-1.3356,-1.0161,3.7064;-1.4746,.0337,3.3744;-2.2828,-1.3149,4.1897;-1.1091,-1.9058,2.4802;-2.005,-1.8607,1.8314;-1.024,-2.9581,2.8126;.1211,-1.5417,1.6492;.081,-.4842,1.3278;1.0529,-1.6773,2.2252;.1948,-2.1679,.7411;-.6094,-2.5837,7.8538;-1.7615,-.7877,6.8149;-2.7632,-.5027,6.4817;-2.8682,-2.4722,7.9912;.4219,.1869,11.6654;.354,.489,12.7271;1.3848,.5598,11.2685;.4574,-.9172,11.6279;-.7577,.7136,10.8515;-1.704,.3322,11.2713;-.8083,1.8168,10.9357;-.6917,.303,9.3792;-.5359,-.79,9.3136;.1884,.7601,8.8892;-1.9583,.7082,8.6197;-3.0724,.6108,9.1277;-1.7866,1.4542,7.8035;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604287261454</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002187590365 0.000331165123 0.024976139026 0.008707395781</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023561242 -0.000207017 0.000149013 0.000586323 0.000761876 0.000999651 0.001785857 0.001962583 0.002409556 0.002604049 0.003015128 0.004002071 0.004229012 0.005777554 0.006044852 0.006981406 0.007209800 0.008161553 0.009568297 0.011423699 0.012505158 0.015497219 0.019113450 0.021684338 0.022855128 0.025026003 0.029521098 0.030422090 0.031654850 0.032476500 0.033396413 0.034865833 0.037121883 0.040118871 0.040489751 0.044522816 0.046483594 0.046967839 0.051918828 0.052679996 0.054081694 0.055140516 0.058039403 0.059264405 0.064629896 0.067506583 0.068879210 0.072357398 0.076711542 0.077202899 0.077731954 0.079380202 0.081833473 0.082969427 0.088895194 0.096321580 0.099664456 0.100079108 0.104534153 0.106596103 0.109911387 0.112847556 0.115927378 0.130519965 0.132816103 0.135376510 0.139197545 0.146504261 0.152430398 0.157411499 0.161982828 0.166058546 0.169318793 0.173444431 0.178784395 0.183387914 0.188116077 0.195474939 0.201710102 0.208007195 0.219228966 0.229063782 0.241292225 0.255157870 0.273015212 0.292514505 0.310154653 0.344972802 0.397698354 0.417204010 0.430939958 0.478011246 0.539367768 0.562622601 0.590478574 0.608199971 0.662778002 0.687995421 0.734807687 0.752486537 0.757945817 0.768867827 0.773541348 0.778565292 0.783313807 0.797340272 0.804486796 0.818808886 0.819765934 0.834661286 0.847075993 0.852594047 0.867201715 0.874690410 0.888578201 0.891842833 0.897438153 0.910421366 0.918490253 0.930049729 0.933477343 0.945623334 0.979357919 1.009285509 1.465877901 1.553361247</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="-3.46405569" y3="-2.17968214" z3="10.89391276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.4346384" y3="-1.23900287" z3="10.31375021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19455254" y3="-1.94982951" z3="11.94193673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50489417" y3="-2.55894237" z3="10.88866532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50478943" y3="-3.20513309" z3="10.29674403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5119337" y3="-4.14138316" z3="10.89194774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47085701" y3="-2.81834656" z3="10.32362088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8272814" y3="-3.57055821" z3="8.84744062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83451471" y3="-4.02637734" z3="8.79530386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08485855" y3="-4.30232835" z3="8.48270798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65748061" y3="-1.98252969" z3="7.52662211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57190037" y3="-0.28510862" z3="6.0474906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31885355" y3="-0.33690254" z3="6.70149389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70646893" y3="0.78570154" z3="5.78390847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23224599" y3="-1.06449266" z3="4.76244794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03787212" y3="-2.11580649" z3="5.04699037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71107355" y3="-0.66876636" z3="4.33386147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33738907" y3="-1.02140446" z3="3.70899711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48222514" y3="0.02492179" z3="3.36914886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28342795" y3="-1.32265266" z3="4.19317728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10257264" y3="-1.91852318" z3="2.48988276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99719515" y3="-1.88408033" z3="1.83900138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01132478" y3="-2.96751657" z3="2.83051195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12696067" y3="-1.55272435" z3="1.65834165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07998353" y3="-0.49835037" z3="1.3272757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05825655" y3="-1.67635599" z3="2.23764622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20759936" y3="-2.1863295" z3="0.75599513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61814634" y3="-2.58055209" z3="7.8322995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76869857" y3="-0.77469437" z3="6.81553139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77121377" y3="-0.48737848" z3="6.48619199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87432602" y3="-2.46189621" z3="7.98990319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.42984897" y3="0.17717482" z3="11.66094036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.36481081" y3="0.47111843" z3="12.7251152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38969966" y3="0.5568758" z3="11.26365685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.46962282" y3="-0.92637594" z3="11.61528294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75399865" y3="0.70487787" z3="10.85446486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69762765" y3="0.31604509" z3="11.27341104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.80874075" y3="1.80730482" z3="10.94828986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69107621" y3="0.30707916" z3="9.37808015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.53389599" y3="-0.78482967" z3="9.30141536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18674912" y3="0.7720491" z3="8.89084589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95934939" y3="0.71504712" z3="8.62384343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07186174" y3="0.61614146" z3="9.1345535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.7904069" y3="1.46390447" z3="7.80972431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4641,-2.1797,10.8939;-3.4346,-1.239,10.3138;-3.1946,-1.9498,11.9419;-4.5049,-2.5589,10.8887;-2.5048,-3.2051,10.2967;-2.5119,-4.1414,10.8919;-1.4709,-2.8183,10.3236;-2.8273,-3.5706,8.8474;-3.8345,-4.0264,8.7953;-2.0849,-4.3023,8.4827;-1.6575,-1.9825,7.5266;-.5719,-.2851,6.0475;.3189,-.3369,6.7015;-.7065,.7857,5.7839;-.2322,-1.0645,4.7624;-.0379,-2.1158,5.047;.7111,-.6688,4.3339;-1.3374,-1.0214,3.709;-1.4822,.0249,3.3691;-2.2834,-1.3227,4.1932;-1.1026,-1.9185,2.4899;-1.9972,-1.8841,1.839;-1.0113,-2.9675,2.8305;.127,-1.5527,1.6583;.08,-.4984,1.3273;1.0583,-1.6764,2.2376;.2076,-2.1863,.756;-.6181,-2.5806,7.8323;-1.7687,-.7747,6.8155;-2.7712,-.4874,6.4862;-2.8743,-2.4619,7.9899;.4298,.1772,11.6609;.3648,.4711,12.7251;1.3897,.5569,11.2637;.4696,-.9264,11.6153;-.754,.7049,10.8545;-1.6976,.316,11.2734;-.8087,1.8073,10.9483;-.6911,.3071,9.3781;-.5339,-.7848,9.3014;.1867,.772,8.8908;-1.9593,.715,8.6238;-3.0719,.6161,9.1346;-1.7904,1.4639,7.8097;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604289716206</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001772943718 0.000291034937 0.027029996610 0.008699806348</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023560289 -0.000217328 0.000148615 0.000592421 0.000762331 0.001009077 0.001786806 0.001964046 0.002413085 0.002604836 0.003063472 0.004004231 0.004232104 0.005796152 0.006105070 0.006983547 0.007215159 0.008161011 0.009598967 0.011527558 0.012511606 0.015502147 0.019112817 0.021692083 0.022889714 0.025036118 0.029526184 0.030437278 0.031657769 0.032482177 0.033397348 0.034865403 0.037121937 0.040118509 0.040502532 0.044526993 0.046484236 0.046967797 0.051920648 0.052679006 0.054081171 0.055142260 0.058040873 0.059264298 0.064630511 0.067506072 0.068889614 0.072378157 0.076716448 0.077202365 0.077740736 0.079379819 0.081839423 0.082968969 0.088894799 0.096316990 0.099664607 0.100079514 0.104531149 0.106596014 0.109914240 0.112848002 0.115928837 0.130521898 0.132816051 0.135379114 0.139197483 0.146504391 0.152436796 0.157410979 0.161985405 0.166062160 0.169322047 0.173442190 0.178787902 0.183390169 0.188117266 0.195478057 0.201716980 0.208104381 0.219230459 0.229053633 0.241291309 0.255194833 0.272987801 0.292521158 0.310195691 0.344973741 0.397697863 0.417212674 0.430968315 0.478027988 0.539380311 0.562637496 0.590484989 0.608199931 0.662778399 0.687994638 0.734806979 0.752486626 0.757945824 0.768907017 0.773541710 0.778570476 0.783314532 0.797356173 0.804494874 0.818809011 0.819766044 0.834660049 0.847087315 0.852593941 0.867213982 0.874690856 0.888577783 0.891864193 0.897438154 0.910446886 0.918489736 0.930076415 0.933485311 0.945625181 0.979584510 1.009284351 1.465927964 1.553642112</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="-3.46170294" y3="-2.18192272" z3="10.89070554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43047504" y3="-1.23870704" z3="10.31574912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19118095" y3="-1.95883955" z3="11.93948024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50293796" y3="-2.55767132" z3="10.88452203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50615852" y3="-3.20609506" z3="10.28736852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5168928" y3="-4.14448443" z3="10.87717681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47198842" y3="-2.82362667" z3="10.31587558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82994826" y3="-3.56447527" z3="8.83695074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83728806" y3="-4.01943831" z3="8.78425224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08863946" y3="-4.29545369" z3="8.46866675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66179152" y3="-1.96985078" z3="7.52337669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57967495" y3="-0.26822246" z3="6.045759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31065793" y3="-0.30987254" z3="6.70159111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.72078296" y3="0.80005358" z3="5.77516768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23309577" y3="-1.0546323" z3="4.76649774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03174879" y3="-2.10256186" z3="5.05948556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70801537" y3="-0.65569439" z3="4.33590963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33823245" y3="-1.02688433" z3="3.71208294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48931899" y3="0.01586221" z3="3.36347508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28254304" y3="-1.32967347" z3="4.19869763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09805026" y3="-1.93288447" z3="2.50058597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99366776" y3="-1.91057535" z3="1.85015584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99893354" y3="-2.9784369" z3="2.85022077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12820839" y3="-1.56517043" z3="1.66501466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07298066" y3="-0.51404396" z3="1.32461656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06097423" y3="-1.67645948" z3="2.24467688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21295545" y3="-2.20624822" z3="0.76845535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61989234" y3="-2.56513452" z3="7.83225488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77557309" y3="-0.76040796" z3="6.81381462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77847163" y3="-0.47269967" z3="6.4866084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87790472" y3="-2.45308413" z3="7.98283845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43582754" y3="0.1679377" z3="11.65747657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.37018282" y3="0.45327981" z3="12.72412856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39334245" y3="0.55622657" z3="11.26197383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.48152589" y3="-0.93508393" z3="11.60329894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75197287" y3="0.69575536" z3="10.85680618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.69286504" y3="0.29858796" z3="11.27382343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.81285621" y3="1.79693348" z3="10.95944463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68783633" y3="0.31028065" z3="9.37761937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.52384426" y3="-0.78018965" z3="9.29291167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1872938" y3="0.78291493" z3="8.89333334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9598501" y3="0.71969856" z3="8.62872166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07084409" y3="0.61760385" z3="9.14280161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.7933632" y3="1.47277753" z3="7.81800003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4617,-2.1819,10.8907;-3.4305,-1.2387,10.3157;-3.1912,-1.9588,11.9395;-4.5029,-2.5577,10.8845;-2.5062,-3.2061,10.2874;-2.5169,-4.1445,10.8772;-1.472,-2.8236,10.3159;-2.8299,-3.5645,8.837;-3.8373,-4.0194,8.7843;-2.0886,-4.2955,8.4687;-1.6618,-1.9699,7.5234;-.5797,-.2682,6.0458;.3107,-.3099,6.7016;-.7208,.8001,5.7752;-.2331,-1.0546,4.7665;-.0317,-2.1026,5.0595;.708,-.6557,4.3359;-1.3382,-1.0269,3.7121;-1.4893,.0159,3.3635;-2.2825,-1.3297,4.1987;-1.0981,-1.9329,2.5006;-1.9937,-1.9106,1.8502;-.9989,-2.9784,2.8502;.1282,-1.5652,1.665;.073,-.514,1.3246;1.061,-1.6765,2.2447;.213,-2.2062,.7685;-.6199,-2.5651,7.8323;-1.7756,-.7604,6.8138;-2.7785,-.4727,6.4866;-2.8779,-2.4531,7.9828;.4358,.1679,11.6575;.3702,.4533,12.7241;1.3933,.5562,11.262;.4815,-.9351,11.6033;-.752,.6958,10.8568;-1.6929,.2986,11.2738;-.8129,1.7969,10.9594;-.6878,.3103,9.3776;-.5238,-.7802,9.2929;.1873,.7829,8.8933;-1.9599,.7197,8.6287;-3.0708,.6176,9.1428;-1.7934,1.4728,7.818;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604291308849</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001585275226 0.000282977224 0.028100513994 0.008714275955</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.022442985 -0.000352227 -0.000024078 0.000514649 0.000768415 0.001001908 0.001721034 0.001948706 0.002313029 0.002592186 0.003280531 0.003869960 0.004246503 0.004436820 0.005905976 0.006984474 0.007218789 0.008166768 0.009626020 0.011737297 0.012563483 0.015503428 0.019099155 0.021705716 0.022957014 0.025045059 0.029531218 0.030454121 0.031661934 0.032480593 0.033396196 0.034865730 0.037123443 0.040111070 0.040503612 0.044532043 0.046484917 0.046968187 0.051920184 0.052673174 0.054081293 0.055090294 0.058026478 0.059265172 0.064626925 0.067508119 0.068895685 0.072395607 0.076710416 0.077038519 0.077540996 0.079393056 0.081854404 0.082995019 0.088893071 0.096250263 0.099667366 0.100080823 0.104013932 0.106561048 0.109916779 0.112848141 0.115929209 0.130511533 0.132776348 0.135377387 0.139193544 0.146480839 0.152417665 0.157400846 0.161935890 0.166006132 0.169308818 0.173436580 0.178802854 0.183306784 0.188051701 0.195510801 0.201718787 0.208164765 0.219037343 0.229020092 0.241224340 0.255140060 0.272448649 0.292562134 0.310223319 0.344970248 0.397668489 0.417212669 0.430975896 0.478036232 0.539393210 0.562634053 0.590489502 0.608200450 0.662779577 0.687533247 0.734804447 0.752487330 0.757948427 0.768898453 0.773535704 0.778573467 0.783285035 0.797377698 0.804494946 0.818809684 0.819763058 0.834574223 0.847081917 0.852584842 0.867219106 0.874684274 0.888551337 0.891877170 0.897390195 0.910466420 0.918476438 0.928004565 0.933481629 0.945625980 0.979750501 1.009198641 1.465963263 1.553775486</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="-3.46116361" y3="-2.19022997" z3="10.88924362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.4346539" y3="-1.2447816" z3="10.31690185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.18659464" y3="-1.96911278" z3="11.93783406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50187792" y3="-2.56953129" z3="10.88595836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50432546" y3="-3.21017443" z3="10.27900477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50804401" y3="-4.15140215" z3="10.86670947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47049643" y3="-2.82298522" z3="10.30377936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83321587" y3="-3.56396611" z3="8.82813507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84106969" y3="-4.01863018" z3="8.77635942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09268057" y3="-4.29372778" z3="8.45514829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66655987" y3="-1.96549667" z3="7.51780057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58243233" y3="-0.26156637" z3="6.04600081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30688096" y3="-0.30344709" z3="6.70240646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.72330046" y3="0.80641608" z3="5.77578471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23451781" y3="-1.04778155" z3="4.76745403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03669721" y3="-2.09577591" z3="5.06117824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70841964" y3="-0.6513331" z3="4.33868324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3371592" y3="-1.01736477" z3="3.71102906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47898852" y3="0.0243074" z3="3.355861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28479671" y3="-1.30982505" z3="4.19773834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10191638" y3="-1.93302676" z3="2.50593556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99389433" y3="-1.90358087" z3="1.85102775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01744597" y3="-2.97750051" z3="2.86229277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13326747" y3="-1.58574362" z3="1.67440949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09279517" y3="-0.53636553" z3="1.32666918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06121335" y3="-1.70456" z3="2.26012473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21541338" y3="-2.23389041" z3="0.78262736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62576732" y3="-2.5638477" z3="7.82095389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.778837" y3="-0.75534496" z3="6.81206554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78161179" y3="-0.4639543" z3="6.48755446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88274849" y3="-2.44883753" z3="7.97888024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.44561869" y3="0.17351851" z3="11.65477506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.38037879" y3="0.45322734" z3="12.7230549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39583952" y3="0.57714618" z3="11.25726776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.50664603" y3="-0.92833941" z3="11.59557458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75313384" y3="0.68913562" z3="10.86203981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.68688819" y3="0.27532722" z3="11.27983709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83008824" y3="1.7889519" z3="10.9725696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.6895125" y3="0.31540384" z3="9.37978345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.52239884" y3="-0.77389485" z3="9.28437403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18310379" y3="0.79694252" z3="8.89878372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96280357" y3="0.72601828" z3="8.63539812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07249234" y3="0.6211575" z3="9.15061166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.7998256" y3="1.47785339" z3="7.82275139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4612,-2.1902,10.8892;-3.4347,-1.2448,10.3169;-3.1866,-1.9691,11.9378;-4.5019,-2.5695,10.886;-2.5043,-3.2102,10.279;-2.508,-4.1514,10.8667;-1.4705,-2.823,10.3038;-2.8332,-3.564,8.8281;-3.8411,-4.0186,8.7764;-2.0927,-4.2937,8.4551;-1.6666,-1.9655,7.5178;-.5824,-.2616,6.046;.3069,-.3034,6.7024;-.7233,.8064,5.7758;-.2345,-1.0478,4.7675;-.0367,-2.0958,5.0612;.7084,-.6513,4.3387;-1.3372,-1.0174,3.711;-1.479,.0243,3.3559;-2.2848,-1.3098,4.1977;-1.1019,-1.933,2.5059;-1.9939,-1.9036,1.851;-1.0174,-2.9775,2.8623;.1333,-1.5857,1.6744;.0928,-.5364,1.3267;1.0612,-1.7046,2.2601;.2154,-2.2339,.7826;-.6258,-2.5638,7.821;-1.7788,-.7553,6.8121;-2.7816,-.464,6.4876;-2.8827,-2.4488,7.9789;.4456,.1735,11.6548;.3804,.4532,12.7231;1.3958,.5771,11.2573;.5066,-.9283,11.5956;-.7531,.6891,10.862;-1.6869,.2753,11.2798;-.8301,1.789,10.9726;-.6895,.3154,9.3798;-.5224,-.7739,9.2844;.1831,.7969,8.8988;-1.9628,.726,8.6354;-3.0725,.6212,9.1506;-1.7998,1.4779,7.8228;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604294956831</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000873258798 0.000242576961 0.031441037511 0.008692994682</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.022448788 -0.000038885 -0.000005779 0.000515867 0.000767197 0.001008129 0.001721411 0.001950039 0.002313150 0.002592009 0.003314523 0.003885025 0.004252630 0.004476625 0.005905290 0.006993047 0.007226389 0.008166288 0.009627856 0.011759430 0.012593689 0.015503258 0.019099116 0.021715661 0.022976841 0.025049742 0.029534890 0.030458890 0.031666410 0.032485817 0.033396374 0.034866514 0.037123989 0.040111892 0.040520405 0.044536716 0.046484797 0.046968201 0.051924222 0.052673440 0.054081317 0.055092711 0.058037478 0.059268791 0.064626856 0.067509439 0.068894423 0.072395387 0.076711065 0.077043496 0.077546218 0.079395795 0.081857026 0.083010063 0.088894232 0.096247534 0.099670190 0.100081413 0.104007340 0.106561580 0.109917025 0.112848267 0.115929743 0.130511641 0.132776416 0.135384990 0.139194301 0.146480990 0.152417612 0.157399658 0.161955158 0.166007471 0.169312112 0.173439361 0.178820589 0.183314502 0.188060752 0.195525332 0.201734081 0.208254336 0.219040534 0.229023719 0.241227207 0.255232375 0.272451990 0.292644949 0.310247768 0.344969635 0.397669533 0.417213439 0.430977920 0.478039015 0.539406365 0.562631397 0.590499736 0.608202762 0.662781713 0.687551510 0.734807850 0.752497252 0.757964028 0.768914382 0.773539053 0.778578779 0.783287144 0.797422547 0.804498655 0.818810169 0.819764248 0.834575296 0.847093441 0.852587277 0.867220402 0.874697354 0.888580336 0.891941521 0.897390982 0.910513483 0.918478490 0.928000059 0.933485135 0.945627193 0.979864906 1.009206700 1.466038531 1.553832112</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="-3.46326985" y3="-2.19791347" z3="10.88706259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43623654" y3="-1.25102503" z3="10.31791527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19091235" y3="-1.98035475" z3="11.93670818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50331369" y3="-2.57715811" z3="10.88079761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50582392" y3="-3.21512376" z3="10.27484252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51209437" y3="-4.15745664" z3="10.85840821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47295161" y3="-2.82925887" z3="10.30330804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83202768" y3="-3.56415667" z3="8.82262416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83908769" y3="-4.01957802" z3="8.76871556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09090249" y3="-4.29215876" z3="8.44807334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66694264" y3="-1.96061705" z3="7.51688834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5860537" y3="-0.25373695" z3="6.04577893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30305828" y3="-0.29305585" z3="6.70341972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.72959874" y3="0.81416593" z3="5.77519771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23583879" y3="-1.03982528" z3="4.76757135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04094059" y3="-2.08848902" z3="5.06161914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70906802" y3="-0.64534648" z3="4.34119982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33622777" y3="-1.00560157" z3="3.70869709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.4672146" y3="0.03528927" z3="3.34657031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28764741" y3="-1.28586905" z3="4.19531781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10757052" y3="-1.93135085" z3="2.51013286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99562184" y3="-1.89297009" z3="1.85013868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03988301" y3="-2.97496488" z3="2.87319176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13744073" y3="-1.60639135" z3="1.68402653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.11449902" y3="-0.55808445" z3="1.33085976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0601559" y3="-1.73600103" z3="2.2759776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21517509" y3="-2.26023056" z3="0.79606756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62406129" y3="-2.5558378" z3="7.82297009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78219999" y3="-0.75123472" z3="6.80966542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7855222" y3="-0.45997747" z3="6.48714512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88235329" y3="-2.4471226" z3="7.97650673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.45468453" y3="0.17827633" z3="11.64993629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.38924418" y3="0.45108928" z3="12.72025984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39799556" y3="0.59787047" z3="11.2516993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.53073292" y3="-0.92224922" z3="11.58443647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75325183" y3="0.6820665" z3="10.86382735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.679858" y3="0.2520641" z3="11.28111685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84534948" y3="1.77954261" z3="10.98239779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68813806" y3="0.32001185" z3="9.37892978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51228894" y3="-0.76692395" z3="9.27612262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18005559" y3="0.81108466" z3="8.90032416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96599202" y3="0.72843367" z3="8.64042099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07389344" y3="0.61885921" z3="9.15789426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80740327" y3="1.48069772" z3="7.82760937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4633,-2.1979,10.8871;-3.4362,-1.251,10.3179;-3.1909,-1.9804,11.9367;-4.5033,-2.5772,10.8808;-2.5058,-3.2151,10.2748;-2.5121,-4.1575,10.8584;-1.473,-2.8293,10.3033;-2.832,-3.5642,8.8226;-3.8391,-4.0196,8.7687;-2.0909,-4.2922,8.4481;-1.6669,-1.9606,7.5169;-.5861,-.2537,6.0458;.3031,-.2931,6.7034;-.7296,.8142,5.7752;-.2358,-1.0398,4.7676;-.0409,-2.0885,5.0616;.7091,-.6453,4.3412;-1.3362,-1.0056,3.7087;-1.4672,.0353,3.3466;-2.2876,-1.2859,4.1953;-1.1076,-1.9314,2.5101;-1.9956,-1.893,1.8501;-1.0399,-2.975,2.8732;.1374,-1.6064,1.684;.1145,-.5581,1.3309;1.0602,-1.736,2.276;.2152,-2.2602,.7961;-.6241,-2.5558,7.823;-1.7822,-.7512,6.8097;-2.7855,-.46,6.4871;-2.8824,-2.4471,7.9765;.4547,.1783,11.6499;.3892,.4511,12.7203;1.398,.5979,11.2517;.5307,-.9222,11.5844;-.7533,.6821,10.8638;-1.6799,.2521,11.2811;-.8453,1.7795,10.9824;-.6881,.32,9.3789;-.5123,-.7669,9.2761;.1801,.8111,8.9003;-1.966,.7284,8.6404;-3.0739,.6189,9.1579;-1.8074,1.4807,7.8276;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604296865306</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000890693268 0.000241607794 0.027034916170 0.008657730132</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.022430785 -0.000081492 0.000094695 0.000513888 0.000762067 0.001006783 0.001722350 0.001948317 0.002313239 0.002598979 0.003325800 0.003892983 0.004266327 0.004478234 0.005904401 0.006998689 0.007225252 0.008165946 0.009630979 0.011760978 0.012602526 0.015503435 0.019099061 0.021719468 0.022988369 0.025052905 0.029536453 0.030459826 0.031667341 0.032484341 0.033397116 0.034867074 0.037123897 0.040112974 0.040525995 0.044536773 0.046484767 0.046968424 0.051925036 0.052673068 0.054082038 0.055093319 0.058033486 0.059270533 0.064625470 0.067510524 0.068896482 0.072395561 0.076710841 0.077050931 0.077551281 0.079397963 0.081857414 0.083014591 0.088894614 0.096243439 0.099671544 0.100082530 0.104001758 0.106561409 0.109917751 0.112848200 0.115930057 0.130512130 0.132776870 0.135385296 0.139194887 0.146480703 0.152429679 0.157398920 0.161952996 0.166012877 0.169318490 0.173440954 0.178831683 0.183316846 0.188059777 0.195524803 0.201750933 0.208278184 0.219061801 0.229037705 0.241223988 0.255274353 0.272406900 0.292650331 0.310250140 0.344979107 0.397674887 0.417220766 0.430981692 0.478043039 0.539412521 0.562644653 0.590506825 0.608204736 0.662783786 0.687552527 0.734807394 0.752500288 0.757971833 0.768914047 0.773540679 0.778581169 0.783291772 0.797435970 0.804499946 0.818810527 0.819764413 0.834606578 0.847102787 0.852591468 0.867231015 0.874697601 0.888583180 0.891942415 0.897391152 0.910520852 0.918486057 0.928019049 0.933491563 0.945632006 0.979919082 1.009207703 1.466042856 1.553860274</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="-3.46852899" y3="-2.20049856" z3="10.88151463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.4408851" y3="-1.25089013" z3="10.31656732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20016038" y3="-1.9871999" z3="11.93317043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50805891" y3="-2.58195587" z3="10.86986318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50647651" y3="-3.21311657" z3="10.26791355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50842135" y3="-4.15740007" z3="10.84997669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47452549" y3="-2.82226777" z3="10.29763484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83076283" y3="-3.56011728" z3="8.81456843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83611669" y3="-4.01955089" z3="8.7586232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08613273" y3="-4.28382467" z3="8.43825549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6712126" y3="-1.95035884" z3="7.51202199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59494005" y3="-0.23700471" z3="6.04542549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29481842" y3="-0.26602093" z3="6.70250899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.74566058" y3="0.82790058" z3="5.76804173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2396869" y3="-1.02981856" z3="4.77296499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03650021" y3="-2.0745659" z3="5.07493033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.7019877" y3="-0.63117369" z3="4.34355377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34007492" y3="-1.01239335" z3="3.71373886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47979967" y3="0.02441613" z3="3.34407969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2890677" y3="-1.29721521" z3="4.2018299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10318119" y3="-1.94449291" z3="2.52182144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.9900752" y3="-1.91702809" z3="1.86046208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02845136" y3="-2.9844072" z3="2.89175692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13979259" y3="-1.6164328" z3="1.69530611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.11033756" y3="-0.57094286" z3="1.33626133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06224951" y3="-1.73648552" z3="2.2889286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22270923" y3="-2.27480482" z3="0.81114718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62758048" y3="-2.54676664" z3="7.81002192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78810256" y3="-0.7359386" z3="6.81366296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79231464" y3="-0.44634595" z3="6.49206286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88469872" y3="-2.44025486" z3="7.97176731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46136942" y3="0.16599557" z3="11.64478932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39680124" y3="0.42999273" z3="12.71724928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40400698" y3="0.58775494" z3="11.24927974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.53695136" y3="-0.93378729" z3="11.57010648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74699744" y3="0.67556885" z3="10.8636595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.67294323" y3="0.24310183" z3="11.27908136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83868463" y3="1.771901" z3="10.98991921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68390746" y3="0.32395532" z3="9.37600487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50409166" y3="-0.76170807" z3="9.26571066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18162772" y3="0.82164653" z3="8.8992923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9642877" y3="0.73136758" z3="8.64080204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07046713" y3="0.62081893" z3="9.16273379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80821853" y3="1.48973585" z3="7.83336209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4685,-2.2005,10.8815;-3.4409,-1.2509,10.3166;-3.2002,-1.9872,11.9332;-4.5081,-2.582,10.8699;-2.5065,-3.2131,10.2679;-2.5084,-4.1574,10.85;-1.4745,-2.8223,10.2976;-2.8308,-3.5601,8.8146;-3.8361,-4.0196,8.7586;-2.0861,-4.2838,8.4383;-1.6712,-1.9504,7.512;-.5949,-.237,6.0454;.2948,-.266,6.7025;-.7457,.8279,5.768;-.2397,-1.0298,4.773;-.0365,-2.0746,5.0749;.702,-.6312,4.3436;-1.3401,-1.0124,3.7137;-1.4798,.0244,3.3441;-2.2891,-1.2972,4.2018;-1.1032,-1.9445,2.5218;-1.9901,-1.917,1.8605;-1.0285,-2.9844,2.8918;.1398,-1.6164,1.6953;.1103,-.5709,1.3363;1.0622,-1.7365,2.2889;.2227,-2.2748,.8111;-.6276,-2.5468,7.81;-1.7881,-.7359,6.8137;-2.7923,-.4463,6.4921;-2.8847,-2.4403,7.9718;.4614,.166,11.6448;.3968,.43,12.7172;1.404,.5878,11.2493;.537,-.9338,11.5701;-.747,.6756,10.8637;-1.6729,.2431,11.2791;-.8387,1.7719,10.9899;-.6839,.324,9.376;-.5041,-.7617,9.2657;.1816,.8216,8.8993;-1.9643,.7314,8.6408;-3.0705,.6208,9.1627;-1.8082,1.4897,7.8334;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604296496442</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000518392726 0.000155280306 0.026073547519 0.008681181425</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.022367314 -0.000003926 0.000088431 0.000512619 0.000774562 0.001001482 0.001726434 0.001947314 0.002314268 0.002606295 0.003323924 0.003896777 0.004259906 0.004495061 0.005909549 0.007008499 0.007227753 0.008164912 0.009635589 0.011762453 0.012604844 0.015503600 0.019098835 0.021720331 0.022991925 0.025053393 0.029540939 0.030461971 0.031669782 0.032483690 0.033397031 0.034866725 0.037126400 0.040112697 0.040525626 0.044536491 0.046484603 0.046968564 0.051924931 0.052672467 0.054080683 0.055092573 0.058035246 0.059272439 0.064626623 0.067511871 0.068897055 0.072396302 0.076713231 0.077049802 0.077554102 0.079397367 0.081857693 0.083012710 0.088895369 0.096240051 0.099671912 0.100082555 0.104001091 0.106561401 0.109920085 0.112848419 0.115930018 0.130512087 0.132778349 0.135385570 0.139194300 0.146481313 0.152435482 0.157399099 0.161953486 0.166014057 0.169322726 0.173438493 0.178829283 0.183323165 0.188059851 0.195531617 0.201750058 0.208288345 0.219076444 0.229053447 0.241225299 0.255305053 0.272390594 0.292649129 0.310251725 0.344989806 0.397675659 0.417224444 0.430981360 0.478050059 0.539414787 0.562663403 0.590513210 0.608204690 0.662784808 0.687550326 0.734809755 0.752500863 0.757981427 0.768917405 0.773542135 0.778580569 0.783295013 0.797446530 0.804500543 0.818810975 0.819764503 0.834608611 0.847103776 0.852611070 0.867242896 0.874703493 0.888606218 0.891961097 0.897392965 0.910522420 0.918488454 0.928039026 0.933494444 0.945635970 0.979955473 1.009210713 1.466042764 1.553887989</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="-3.46553799" y3="-2.19563012" z3="10.88626185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43774229" y3="-1.24879321" z3="10.31685019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19517768" y3="-1.97763307" z3="11.9363616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.50556646" y3="-2.5755722" z3="10.87815397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50606288" y3="-3.21257472" z3="10.27616469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51071492" y3="-4.15455309" z3="10.86135781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47331621" y3="-2.82460835" z3="10.30460889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83095596" y3="-3.56398122" z3="8.82411003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83744203" y3="-4.02096301" z3="8.76979066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08825772" y3="-4.29115413" z3="8.45086536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6668825" y3="-1.96092025" z3="7.51722832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58647832" y3="-0.25371501" z3="6.04627132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30303461" y3="-0.29209448" z3="6.70304177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.73052843" y3="0.81367629" z3="5.77472679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23652201" y3="-1.0408811" z3="4.76878665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03887657" y3="-2.08865912" z3="5.06381959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70698315" y3="-0.64477793" z3="4.3409415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33778078" y3="-1.01087294" z3="3.710802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47436805" y3="0.02956301" z3="3.35021357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2873609" y3="-1.29662466" z3="4.19744051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10516331" y3="-1.93351043" z3="2.51078619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99400101" y3="-1.8996096" z3="1.85199861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03077693" y3="-2.97679402" z3="2.87203645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13628426" y3="-1.60003096" z3="1.68361242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10684644" y3="-0.55159346" z3="1.33266625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06045738" y3="-1.72544089" z3="2.27373629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21619609" y3="-2.25157449" z3="0.79426564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.624337" y3="-2.55678384" z3="7.82106981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78184276" y3="-0.75005065" z3="6.81236846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78524552" y3="-0.46019264" z3="6.48861158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88197082" y3="-2.44755474" z3="7.97687754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.45282498" y3="0.17407092" z3="11.64971156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.38750952" y3="0.44735674" z3="12.71968315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39874232" y3="0.58763865" z3="11.25277901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.52262403" y3="-0.92666953" z3="11.58436186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75113532" y3="0.68385443" z3="10.86177544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.68043876" y3="0.2601403" z3="11.27866282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83678535" y3="1.78178195" z3="10.97864786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68695346" y3="0.3191588" z3="9.3775046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51265799" y3="-0.76819785" z3="9.27662151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18194171" y3="0.80821196" z3="8.89813185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96407282" y3="0.72671802" z3="8.63723096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07212507" y3="0.61857561" z3="9.15531446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80472844" y3="1.48065236" z3="7.82612148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4655,-2.1956,10.8863;-3.4377,-1.2488,10.3169;-3.1952,-1.9776,11.9364;-4.5056,-2.5756,10.8782;-2.5061,-3.2126,10.2762;-2.5107,-4.1546,10.8614;-1.4733,-2.8246,10.3046;-2.831,-3.564,8.8241;-3.8374,-4.021,8.7698;-2.0883,-4.2912,8.4509;-1.6669,-1.9609,7.5172;-.5865,-.2537,6.0463;.303,-.2921,6.703;-.7305,.8137,5.7747;-.2365,-1.0409,4.7688;-.0389,-2.0887,5.0638;.707,-.6448,4.3409;-1.3378,-1.0109,3.7108;-1.4744,.0296,3.3502;-2.2874,-1.2966,4.1974;-1.1052,-1.9335,2.5108;-1.994,-1.8996,1.852;-1.0308,-2.9768,2.872;.1363,-1.6,1.6836;.1068,-.5516,1.3327;1.0605,-1.7254,2.2737;.2162,-2.2516,.7943;-.6243,-2.5568,7.8211;-1.7818,-.7501,6.8124;-2.7852,-.4602,6.4886;-2.882,-2.4476,7.9769;.4528,.1741,11.6497;.3875,.4474,12.7197;1.3987,.5876,11.2528;.5226,-.9267,11.5844;-.7511,.6839,10.8618;-1.6804,.2601,11.2787;-.8368,1.7818,10.9786;-.687,.3192,9.3775;-.5127,-.7682,9.2766;.1819,.8082,8.8981;-1.9641,.7267,8.6372;-3.0721,.6186,9.1553;-1.8047,1.4807,7.8261;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604298843159</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000558449146 0.000081447394 0.028577679173 0.008666685669</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021716037 -0.000093642 0.000049413 0.000492301 0.000765162 0.000927519 0.001722392 0.001931952 0.002313498 0.002584915 0.003317839 0.003908190 0.004211592 0.004542051 0.005910724 0.007014612 0.007231382 0.008167648 0.009626036 0.011764744 0.012606067 0.015504997 0.019099429 0.021723686 0.022990378 0.025053548 0.029542574 0.030464764 0.031673412 0.032469095 0.033390302 0.034866646 0.037128104 0.040112157 0.040521128 0.044537038 0.046484895 0.046969314 0.051925605 0.052673276 0.054080123 0.055097124 0.058031234 0.059272883 0.064630531 0.067513790 0.068883774 0.072392438 0.076713726 0.077044876 0.077551492 0.079396689 0.081857251 0.083011200 0.088897618 0.096236447 0.099671507 0.100082615 0.104004963 0.106560683 0.109920079 0.112848499 0.115929810 0.130510632 0.132776850 0.135386027 0.139194446 0.146481022 0.152408368 0.157400290 0.161946938 0.166001393 0.169327017 0.173440557 0.178826370 0.183329920 0.188061987 0.195534280 0.201733354 0.208291980 0.219089090 0.229089171 0.241228330 0.255319694 0.272391713 0.292650207 0.310252468 0.344985410 0.397668465 0.417223656 0.430979138 0.478049919 0.539413842 0.562658215 0.590515762 0.608205133 0.662785369 0.687547798 0.734810826 0.752501478 0.757983233 0.768920373 0.773542523 0.778580427 0.783296547 0.797447327 0.804500637 0.818810890 0.819764433 0.834587476 0.847102403 0.852611374 0.867243031 0.874703211 0.888605897 0.891971731 0.897394927 0.910522410 0.918492742 0.928057207 0.933494708 0.945637932 0.979952285 1.009210825 1.466043256 1.553888770</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="-3.47222354" y3="-2.18861975" z3="10.88148568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.44275431" y3="-1.24279622" z3="10.31033346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.20647751" y3="-1.96837264" z3="11.93220498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.51161496" y3="-2.57001699" z3="10.86973674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.50905205" y3="-3.20540496" z3="10.27760525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51509252" y3="-4.14573363" z3="10.86449166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.47730429" y3="-2.8163244" z3="10.30963002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82772531" y3="-3.5607768" z3="8.82541937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83283744" y3="-4.01983925" z3="8.76851163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08243776" y3="-4.28683462" z3="8.45583582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66419252" y3="-1.95740117" z3="7.51847134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58794884" y3="-0.24720544" z3="6.04641673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30332754" y3="-0.27797351" z3="6.70164024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.73712312" y3="0.81821228" z3="5.76955445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23680073" y3="-1.03962627" z3="4.77233569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02920282" y3="-2.0841563" z3="5.07256611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70194247" y3="-0.63794951" z3="4.33913203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34157887" y3="-1.02551514" z3="3.71738071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.4943144" y3="0.01288042" z3="3.35666694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28579045" y3="-1.32473264" z3="4.2066898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.0989217" y3="-1.94499157" z3="2.51659291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99234229" y3="-1.92818728" z3="1.86293364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00297561" y3="-2.98686244" z3="2.8782672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13127758" y3="-1.58887178" z3="1.68143788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08167451" y3="-0.54028497" z3="1.33248105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06192413" y3="-1.69967464" z3="2.2643351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21560818" y3="-2.23715321" z3="0.79025688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62109213" y3="-2.55265394" z3="7.81986843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78055181" y3="-0.7424145" z3="6.81835093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78462326" y3="-0.45728326" z3="6.49209101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8784025" y3="-2.44608564" z3="7.97595694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.44923391" y3="0.15887368" z3="11.6494133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.38131988" y3="0.42696282" z3="12.72018128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4010252" y3="0.56703444" z3="11.25860827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.51078279" y3="-0.94276018" z3="11.57815901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74722024" y3="0.68190311" z3="10.85841017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.68217515" y3="0.26598093" z3="11.27099243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.82331393" y3="1.78075286" z3="10.97783496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.6804456" y3="0.31920394" z3="9.37364608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50233325" y3="-0.76796572" z3="9.27238362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18807557" y3="0.81102405" z3="8.89574423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95876159" y3="0.72290139" z3="8.63101794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0665877" y3="0.61489321" z3="9.15236095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.8003353" y3="1.48323258" z3="7.82494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4722,-2.1886,10.8815;-3.4428,-1.2428,10.3103;-3.2065,-1.9684,11.9322;-4.5116,-2.57,10.8697;-2.5091,-3.2054,10.2776;-2.5151,-4.1457,10.8645;-1.4773,-2.8163,10.3096;-2.8277,-3.5608,8.8254;-3.8328,-4.0198,8.7685;-2.0824,-4.2868,8.4558;-1.6642,-1.9574,7.5185;-.5879,-.2472,6.0464;.3033,-.278,6.7016;-.7371,.8182,5.7696;-.2368,-1.0396,4.7723;-.0292,-2.0842,5.0726;.7019,-.6379,4.3391;-1.3416,-1.0255,3.7174;-1.4943,.0129,3.3567;-2.2858,-1.3247,4.2067;-1.0989,-1.945,2.5166;-1.9923,-1.9282,1.8629;-1.003,-2.9869,2.8783;.1313,-1.5889,1.6814;.0817,-.5403,1.3325;1.0619,-1.6997,2.2643;.2156,-2.2372,.7903;-.6211,-2.5527,7.8199;-1.7806,-.7424,6.8184;-2.7846,-.4573,6.4921;-2.8784,-2.4461,7.976;.4492,.1589,11.6494;.3813,.427,12.7202;1.401,.567,11.2586;.5108,-.9428,11.5782;-.7472,.6819,10.8584;-1.6822,.266,11.271;-.8233,1.7808,10.9778;-.6804,.3192,9.3736;-.5023,-.768,9.2724;.1881,.811,8.8957;-1.9588,.7229,8.631;-3.0666,.6149,9.1524;-1.8003,1.4832,7.8249;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604295477106</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000952022666 0.000213341739 0.026009027921 0.008688007027</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021089691 -0.000185652 0.000131135 0.000138809 0.000492979 0.000830768 0.001441451 0.001779149 0.002076870 0.002554393 0.002690563 0.003522927 0.003952443 0.004361678 0.005899079 0.007020034 0.007183600 0.008170891 0.009589106 0.011722978 0.012598325 0.015505365 0.019098665 0.021718601 0.022995048 0.025053044 0.029547257 0.030470155 0.031656491 0.032316524 0.033383735 0.034867684 0.037099603 0.040108518 0.040520797 0.044531932 0.046484843 0.046966300 0.051926535 0.052672026 0.054077665 0.055043231 0.058028644 0.059277249 0.064591095 0.067515185 0.068763723 0.072359610 0.076704399 0.077022323 0.077536767 0.079398809 0.081856417 0.083007442 0.088875793 0.096039510 0.099672382 0.100081791 0.103907956 0.106560051 0.109918056 0.112848500 0.115928073 0.130510625 0.132764445 0.135384424 0.139193566 0.146480656 0.152374952 0.157389583 0.161794406 0.165992959 0.169333381 0.173437879 0.178777520 0.183225238 0.187987259 0.195518945 0.201726075 0.208310447 0.219046140 0.229029571 0.241160438 0.255326657 0.271180489 0.292663014 0.310251383 0.344986019 0.397660231 0.417220396 0.430977806 0.478051837 0.539415344 0.562619036 0.590513835 0.608204603 0.662780998 0.687464336 0.734806678 0.752502883 0.757984605 0.768836205 0.773543029 0.778576880 0.783293934 0.797448800 0.804500643 0.818808413 0.819761530 0.833699341 0.847098044 0.852608356 0.867242287 0.874670291 0.888416069 0.891884556 0.897390695 0.910511088 0.918474560 0.927705526 0.933463589 0.945614284 0.979941012 1.009201925 1.466003720 1.553868377</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="-3.48775925" y3="-2.19662147" z3="10.87422032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45521403" y3="-1.24705681" z3="10.30923753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23248654" y3="-1.98219401" z3="11.92895488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.52609201" y3="-2.58149483" z3="10.85031044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51511383" y3="-3.20663107" z3="10.27248142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51651282" y3="-4.14907838" z3="10.85782879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.48529337" y3="-2.80971444" z3="10.30957102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82573517" y3="-3.56104517" z3="8.81801765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82787841" y3="-4.02692153" z3="8.75547276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07343891" y3="-4.28092954" z3="8.44952455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66705224" y3="-1.94984656" z3="7.51723457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59427182" y3="-0.23514805" z3="6.04886458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29705268" y3="-0.26150682" z3="6.70331711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.74661504" y3="0.8285439" z3="5.76896941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24062516" y3="-1.03104026" z3="4.77789701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02883864" y3="-2.07336691" z3="5.08224823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69651748" y3="-0.62748931" z3="4.34325896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34472638" y3="-1.02569472" z3="3.72244115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49976765" y3="0.01007801" z3="3.35599588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28858089" y3="-1.32460228" z3="4.21240133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09856771" y3="-1.95102208" z3="2.52704845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98942623" y3="-1.93614963" z3="1.87052406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00505813" y3="-2.99082265" z3="2.89350183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13478028" y3="-1.60056132" z3="1.69450416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08819838" y3="-0.55334434" z3="1.34166571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06315938" y3="-1.71102321" z3="2.28107565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22120538" y3="-2.25262342" z3="0.80597762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62264177" y3="-2.54380815" z3="7.81562484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7851509" y3="-0.73093513" z3="6.82357261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78971541" y3="-0.44868468" z3="6.49604245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87988771" y3="-2.44361804" z3="7.9712405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46554878" y3="0.15780658" z3="11.63915653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40086734" y3="0.41755709" z3="12.71197319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41182126" y3="0.57418925" z3="11.24708536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.53453075" y3="-0.94262885" z3="11.55974392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73833456" y3="0.67750335" z3="10.85679155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66823806" y3="0.25270012" z3="11.27119106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.82124631" y3="1.77443172" z3="10.9825407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67601581" y3="0.3240519" z3="9.3695671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49193268" y3="-0.76113721" z3="9.26245582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18766179" y3="0.82342929" z3="8.89162864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95877833" y3="0.72353608" z3="8.63190364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06410393" y3="0.61269982" z3="9.15832833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80460556" y3="1.48960109" z3="7.83098158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4878,-2.1966,10.8742;-3.4552,-1.2471,10.3092;-3.2325,-1.9822,11.929;-4.5261,-2.5815,10.8503;-2.5151,-3.2066,10.2725;-2.5165,-4.1491,10.8578;-1.4853,-2.8097,10.3096;-2.8257,-3.561,8.818;-3.8279,-4.0269,8.7555;-2.0734,-4.2809,8.4495;-1.6671,-1.9498,7.5172;-.5943,-.2351,6.0489;.2971,-.2615,6.7033;-.7466,.8285,5.769;-.2406,-1.031,4.7779;-.0288,-2.0734,5.0822;.6965,-.6275,4.3433;-1.3447,-1.0257,3.7224;-1.4998,.0101,3.356;-2.2886,-1.3246,4.2124;-1.0986,-1.951,2.527;-1.9894,-1.9361,1.8705;-1.0051,-2.9908,2.8935;.1348,-1.6006,1.6945;.0882,-.5533,1.3417;1.0632,-1.711,2.2811;.2212,-2.2526,.806;-.6226,-2.5438,7.8156;-1.7852,-.7309,6.8236;-2.7897,-.4487,6.496;-2.8799,-2.4436,7.9712;.4655,.1578,11.6392;.4009,.4176,12.712;1.4118,.5742,11.2471;.5345,-.9426,11.5597;-.7383,.6775,10.8568;-1.6682,.2527,11.2712;-.8212,1.7744,10.9825;-.676,.3241,9.3696;-.4919,-.7611,9.2625;.1877,.8234,8.8916;-1.9588,.7235,8.6319;-3.0641,.6127,9.1583;-1.8046,1.4896,7.831;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604295942066</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000654769699 0.000193181759 0.040414722785 0.008709940680</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021085657 -0.000047929 0.000061146 0.000145992 0.000495346 0.000839006 0.001479344 0.001780169 0.002079320 0.002563278 0.002753048 0.003534394 0.003951788 0.004373736 0.005901519 0.007035145 0.007188399 0.008172641 0.009592399 0.011726451 0.012597457 0.015505353 0.019098501 0.021718829 0.023002482 0.025053366 0.029549516 0.030472793 0.031660057 0.032316922 0.033384387 0.034867436 0.037102807 0.040108344 0.040527180 0.044533342 0.046485162 0.046966203 0.051926766 0.052673093 0.054079004 0.055043412 0.058028128 0.059283822 0.064590160 0.067516003 0.068762468 0.072359266 0.076703745 0.077023225 0.077541068 0.079398921 0.081856091 0.083006335 0.088875969 0.096036018 0.099673275 0.100081723 0.103903747 0.106561318 0.109918206 0.112848443 0.115928109 0.130510778 0.132764760 0.135384540 0.139193241 0.146481281 0.152394231 0.157389770 0.161804197 0.165992862 0.169343996 0.173437607 0.178775974 0.183238539 0.187990165 0.195520796 0.201726807 0.208334177 0.219046763 0.229026365 0.241166407 0.255397129 0.271176096 0.292692361 0.310252512 0.344991040 0.397661594 0.417221697 0.430981100 0.478056427 0.539416432 0.562669362 0.590533887 0.608204715 0.662782190 0.687472230 0.734808110 0.752514552 0.758013996 0.768838007 0.773547388 0.778580046 0.783296412 0.797461821 0.804500732 0.818808392 0.819761699 0.833751911 0.847104397 0.852613380 0.867243400 0.874718709 0.888424241 0.891884864 0.897391495 0.910514470 0.918480781 0.927704618 0.933472031 0.945627407 0.979943781 1.009205916 1.466049780 1.553874157</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="-3.49821853" y3="-2.20282289" z3="10.87416424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.46419413" y3="-1.25234175" z3="10.3111998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2449988" y3="-1.99066654" z3="11.92954646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53620573" y3="-2.58729555" z3="10.84755168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52503492" y3="-3.21155767" z3="10.27268143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52866352" y3="-4.15424028" z3="10.85602877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49592223" y3="-2.81571091" z3="10.31235694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83259654" y3="-3.56364179" z3="8.81743883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8350082" y3="-4.02753467" z3="8.75241268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08128347" y3="-4.28445845" z3="8.44994522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66909595" y3="-1.95284386" z3="7.51995742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59361625" y3="-0.23851339" z3="6.05205462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29723058" y3="-0.26683948" z3="6.70791603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.74496128" y3="0.82643338" z3="5.77453242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23949388" y3="-1.03130537" z3="4.77913432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03222253" y3="-2.07542838" z3="5.08045116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70011733" y3="-0.62977662" z3="4.34783964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34134813" y3="-1.01798905" z3="3.72137302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48822512" y3="0.01888043" z3="3.35447939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28815032" y3="-1.31019207" z3="4.20960077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09965649" y3="-1.94538351" z3="2.52659508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98879988" y3="-1.92400143" z3="1.8674833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01516251" y3="-2.98596499" z3="2.89402157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13862645" y3="-1.60494138" z3="1.6972827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.1016179" y3="-0.55745393" z3="1.34390524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06447685" y3="-1.7227144" z3="2.28637789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22175246" y3="-2.25773459" z3="0.80922803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62527885" y3="-2.54611397" z3="7.82241732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78599846" y3="-0.73589337" z3="6.82319709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7901762" y3="-0.45254944" z3="6.49544146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88325818" y3="-2.44600852" z3="7.97173062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48302358" y3="0.17367593" z3="11.63016629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41915293" y3="0.42869845" z3="12.7043791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41939356" y3="0.61269781" z3="11.23351282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57494547" y3="-0.92552958" z3="11.54668142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73593842" y3="0.67197684" z3="10.85710351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65573039" y3="0.22685661" z3="11.27451321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84062514" y3="1.76749623" z3="10.98905259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.6731694" y3="0.32729013" z3="9.36793098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47965161" y3="-0.75639761" z3="9.25322874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18533375" y3="0.83826484" z3="8.89114568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96143622" y3="0.72111376" z3="8.63660402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06398492" y3="0.60410366" z3="9.16795187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81592646" y3="1.48574469" z3="7.83175746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4982,-2.2028,10.8742;-3.4642,-1.2523,10.3112;-3.245,-1.9907,11.9295;-4.5362,-2.5873,10.8476;-2.525,-3.2116,10.2727;-2.5287,-4.1542,10.856;-1.4959,-2.8157,10.3124;-2.8326,-3.5636,8.8174;-3.835,-4.0275,8.7524;-2.0813,-4.2845,8.4499;-1.6691,-1.9528,7.52;-.5936,-.2385,6.0521;.2972,-.2668,6.7079;-.745,.8264,5.7745;-.2395,-1.0313,4.7791;-.0322,-2.0754,5.0805;.7001,-.6298,4.3478;-1.3413,-1.018,3.7214;-1.4882,.0189,3.3545;-2.2882,-1.3102,4.2096;-1.0997,-1.9454,2.5266;-1.9888,-1.924,1.8675;-1.0152,-2.986,2.894;.1386,-1.6049,1.6973;.1016,-.5575,1.3439;1.0645,-1.7227,2.2864;.2218,-2.2577,.8092;-.6253,-2.5461,7.8224;-1.786,-.7359,6.8232;-2.7902,-.4525,6.4954;-2.8833,-2.446,7.9717;.483,.1737,11.6302;.4192,.4287,12.7044;1.4194,.6127,11.2335;.5749,-.9255,11.5467;-.7359,.672,10.8571;-1.6557,.2269,11.2745;-.8406,1.7675,10.9891;-.6732,.3273,9.3679;-.4797,-.7564,9.2532;.1853,.8383,8.8911;-1.9614,.7211,8.6366;-3.064,.6041,9.168;-1.8159,1.4857,7.8318;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604294911283</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001901652936 0.000327105636 0.029925857725 0.008696279393</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021055935 -0.000123490 0.000087037 0.000158005 0.000491324 0.000850777 0.001501637 0.001778756 0.002081610 0.002565900 0.002799625 0.003557191 0.003955892 0.004384114 0.005902325 0.007044473 0.007197667 0.008174374 0.009594032 0.011729178 0.012597462 0.015505687 0.019099631 0.021719336 0.023006819 0.025054072 0.029551080 0.030476169 0.031663381 0.032319484 0.033384289 0.034867894 0.037111113 0.040109125 0.040541236 0.044535719 0.046485607 0.046966152 0.051926831 0.052674476 0.054080551 0.055046043 0.058028255 0.059287101 0.064588652 0.067517099 0.068759496 0.072356145 0.076703137 0.077023135 0.077540577 0.079400051 0.081856445 0.083004836 0.088875493 0.096031216 0.099673605 0.100081826 0.103920641 0.106564536 0.109918289 0.112848481 0.115928122 0.130511457 0.132765860 0.135384759 0.139193818 0.146481088 0.152409210 0.157393391 0.161809221 0.165994025 0.169347934 0.173438896 0.178776623 0.183246499 0.187991289 0.195529968 0.201728530 0.208345886 0.219048975 0.229049428 0.241177082 0.255420697 0.271357899 0.292715326 0.310252598 0.344992934 0.397664545 0.417226615 0.430981888 0.478057681 0.539418505 0.562725070 0.590539326 0.608204876 0.662783108 0.687479251 0.734809289 0.752519146 0.758023667 0.768842650 0.773548867 0.778581391 0.783297642 0.797468971 0.804501125 0.818808403 0.819761728 0.833800093 0.847106460 0.852616250 0.867243525 0.874736549 0.888423926 0.891886562 0.897392284 0.910517412 0.918482924 0.927852934 0.933479681 0.945650692 0.979943315 1.009215173 1.466101090 1.553876663</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="-3.49929406" y3="-2.20737829" z3="10.87966701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.46541516" y3="-1.25707225" z3="10.31615257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24416018" y3="-1.99471511" z3="11.93479969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53801948" y3="-2.59102261" z3="10.85483619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52761961" y3="-3.21756027" z3="10.27703618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53057201" y3="-4.16052383" z3="10.86131355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49760222" y3="-2.82188479" z3="10.31466002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83763564" y3="-3.57008807" z3="8.82201108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8410949" y3="-4.03292528" z3="8.75826796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0872282" y3="-4.29255206" z3="8.45474632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6714533" y3="-1.96220861" z3="7.52353809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58954035" y3="-0.2539302" z3="6.05487215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29913915" y3="-0.29373118" z3="6.71226448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.73251808" y3="0.81374021" z3="5.78431035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23855935" y3="-1.0402581" z3="4.77723474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04156886" y3="-2.08842015" z3="5.07167158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70574669" y3="-0.6441646" z3="4.35120667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33779713" y3="-1.00900438" z3="3.71713088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47309694" y3="0.03182047" z3="3.35700765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28877321" y3="-1.29479305" z3="4.20126976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10274226" y3="-1.93077358" z3="2.51692073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98928116" y3="-1.89407557" z3="1.85512962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03187789" y3="-2.974758" z3="2.87714605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14269364" y3="-1.59881019" z3="1.69468317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.11822881" y3="-0.54881517" z3="1.34738859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06482812" y3="-1.729874" z3="2.28712111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22290667" y3="-2.24750233" z3="0.80319597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62847215" y3="-2.55496094" z3="7.83211188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78581386" y3="-0.74985588" z3="6.82006245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78871587" y3="-0.4634568" z3="6.49149796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88726948" y3="-2.45298654" z3="7.97501971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48907183" y3="0.19316451" z3="11.62742802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.42909837" y3="0.45651467" z3="12.70000486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.42007187" y3="0.63174104" z3="11.22399564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.5847346" y3="-0.90494596" z3="11.55272419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73522999" y3="0.67951093" z3="10.85537334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65016579" y3="0.23186356" z3="11.27909094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.8447665" y3="1.77395988" z3="10.97968798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67774336" y3="0.32574165" z3="9.36836129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.48848858" y3="-0.7581387" z3="9.26026618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18016238" y3="0.83052956" z3="8.88633662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96555851" y3="0.71999353" z3="8.63857535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06807317" y3="0.60406462" z3="9.16707339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81889668" y3="1.47792918" z3="7.82918093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4993,-2.2074,10.8797;-3.4654,-1.2571,10.3162;-3.2442,-1.9947,11.9348;-4.538,-2.591,10.8548;-2.5276,-3.2176,10.277;-2.5306,-4.1605,10.8613;-1.4976,-2.8219,10.3147;-2.8376,-3.5701,8.822;-3.8411,-4.0329,8.7583;-2.0872,-4.2926,8.4547;-1.6715,-1.9622,7.5235;-.5895,-.2539,6.0549;.2991,-.2937,6.7123;-.7325,.8137,5.7843;-.2386,-1.0403,4.7772;-.0416,-2.0884,5.0717;.7057,-.6442,4.3512;-1.3378,-1.009,3.7171;-1.4731,.0318,3.357;-2.2888,-1.2948,4.2013;-1.1027,-1.9308,2.5169;-1.9893,-1.8941,1.8551;-1.0319,-2.9748,2.8771;.1427,-1.5988,1.6947;.1182,-.5488,1.3474;1.0648,-1.7299,2.2871;.2229,-2.2475,.8032;-.6285,-2.555,7.8321;-1.7858,-.7499,6.8201;-2.7887,-.4635,6.4915;-2.8873,-2.453,7.975;.4891,.1932,11.6274;.4291,.4565,12.7;1.4201,.6317,11.224;.5847,-.9049,11.5527;-.7352,.6795,10.8554;-1.6502,.2319,11.2791;-.8448,1.774,10.9797;-.6777,.3257,9.3684;-.4885,-.7581,9.2603;.1802,.8305,8.8863;-1.9656,.72,8.6386;-3.0681,.6041,9.1671;-1.8189,1.4779,7.8292;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604297456187</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001233263846 0.000235317479 0.026773050049 0.008707341044</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021084686 -0.000184772 0.000112825 0.000153982 0.000491491 0.000902334 0.001522236 0.001781450 0.002090293 0.002565757 0.002845643 0.003588375 0.003962426 0.004392093 0.005903947 0.007049403 0.007200539 0.008178725 0.009598118 0.011737902 0.012598149 0.015505904 0.019101024 0.021719526 0.023010512 0.025056733 0.029552253 0.030478958 0.031668665 0.032329705 0.033384541 0.034869025 0.037127214 0.040112220 0.040572137 0.044540228 0.046486153 0.046966309 0.051927202 0.052676885 0.054082123 0.055048429 0.058029327 0.059289180 0.064587456 0.067517481 0.068763696 0.072359855 0.076703474 0.077025504 0.077542042 0.079401241 0.081857207 0.083006146 0.088875633 0.096031352 0.099674006 0.100082104 0.103963574 0.106569823 0.109918323 0.112848763 0.115928450 0.130512937 0.132767114 0.135384852 0.139194560 0.146481664 0.152414531 0.157400088 0.161815295 0.166001079 0.169352525 0.173443340 0.178780765 0.183262012 0.188011027 0.195543132 0.201736322 0.208366571 0.219059087 0.229062592 0.241175581 0.255443723 0.271488567 0.292756426 0.310252948 0.344994598 0.397672181 0.417226489 0.430987878 0.478058470 0.539422791 0.562774234 0.590544687 0.608205069 0.662783253 0.687495200 0.734811986 0.752523976 0.758037179 0.768866089 0.773549558 0.778584621 0.783299176 0.797477034 0.804502552 0.818808532 0.819761845 0.833829511 0.847109462 0.852616430 0.867244749 0.874796925 0.888426225 0.891888694 0.897392894 0.910520118 0.918484231 0.927976401 0.933487521 0.945674927 0.979949485 1.009220084 1.466246498 1.553877351</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="-3.49141113" y3="-2.20219451" z3="10.88701042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45867477" y3="-1.25501355" z3="10.31902487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23016081" y3="-1.98513535" z3="11.9393369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53081432" y3="-2.58277252" z3="10.86989196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52597148" y3="-3.21749998" z3="10.2841181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53164601" y3="-4.15828918" z3="10.87066958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49473155" y3="-2.82676899" z3="10.31751912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.84120792" y3="-3.57245384" z3="8.8311376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84700717" y3="-4.03000913" z3="8.77127705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09577408" y3="-4.29997365" z3="8.46438249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66946003" y3="-1.97237002" z3="7.5279255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58095086" y3="-0.27160487" z3="6.05564433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30732458" y3="-0.32050423" z3="6.71350918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71655697" y3="0.79866506" z3="5.78974999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23563627" y3="-1.05372923" z3="4.77374881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04766564" y3="-2.10540727" z3="5.06183562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71214402" y3="-0.66298273" z3="4.35036801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33439233" y3="-1.00661821" z3="3.71353348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46338258" y3="0.03834058" z3="3.36301049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28704709" y3="-1.29101551" z3="4.19498445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10506022" y3="-1.91866085" z3="2.50468817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99198987" y3="-1.87178824" z3="1.84404148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03887717" y3="-2.96625406" z3="2.85516398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14065536" y3="-1.58524445" z3="1.68394639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.12013376" y3="-0.53256014" z3="1.34521894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06264163" y3="-1.72464259" z3="2.27431871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21722307" y3="-2.22699847" z3="0.78721762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62850563" y3="-2.56631915" z3="7.84044006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78024165" y3="-0.76381968" z3="6.81803904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78202411" y3="-0.4753912" z3="6.48772154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88711133" y3="-2.45820333" z3="7.98098733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47986731" y3="0.20245911" z3="11.6322064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.4151261" y3="0.47015721" z3="12.70368806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41148771" y3="0.64505103" z3="11.22954303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58047258" y3="-0.89630055" z3="11.56163662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74323545" y3="0.68238571" z3="10.8551242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65859484" y3="0.23361466" z3="11.27717148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85690441" y3="1.77813947" z3="10.9769894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67954005" y3="0.32427754" z3="9.36915518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49010734" y3="-0.76089533" z3="9.26190028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18046568" y3="0.82957102" z3="8.88903532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96484084" y3="0.71685693" z3="8.63483189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06856138" y3="0.60220002" z3="9.16166469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81781826" y3="1.46908978" z3="7.81896512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4914,-2.2022,10.887;-3.4587,-1.255,10.319;-3.2302,-1.9851,11.9393;-4.5308,-2.5828,10.8699;-2.526,-3.2175,10.2841;-2.5316,-4.1583,10.8707;-1.4947,-2.8268,10.3175;-2.8412,-3.5725,8.8311;-3.847,-4.03,8.7713;-2.0958,-4.3,8.4644;-1.6695,-1.9724,7.5279;-.581,-.2716,6.0556;.3073,-.3205,6.7135;-.7166,.7987,5.7897;-.2356,-1.0537,4.7737;-.0477,-2.1054,5.0618;.7121,-.663,4.3504;-1.3344,-1.0066,3.7135;-1.4634,.0383,3.363;-2.287,-1.291,4.195;-1.1051,-1.9187,2.5047;-1.992,-1.8718,1.844;-1.0389,-2.9663,2.8552;.1407,-1.5852,1.6839;.1201,-.5326,1.3452;1.0626,-1.7246,2.2743;.2172,-2.227,.7872;-.6285,-2.5663,7.8404;-1.7802,-.7638,6.818;-2.782,-.4754,6.4877;-2.8871,-2.4582,7.981;.4799,.2025,11.6322;.4151,.4702,12.7037;1.4115,.6451,11.2295;.5805,-.8963,11.5616;-.7432,.6824,10.8551;-1.6586,.2336,11.2772;-.8569,1.7781,10.977;-.6795,.3243,9.3692;-.4901,-.7609,9.2619;.1805,.8296,8.889;-1.9648,.7169,8.6348;-3.0686,.6022,9.1617;-1.8178,1.4691,7.819;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604298684484</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001302018679 0.000280850273 0.027613509604 0.008691105987</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021076159 -0.000137707 0.000121239 0.000168124 0.000494910 0.000919992 0.001525595 0.001781646 0.002108894 0.002567367 0.002873001 0.003593269 0.003970160 0.004392330 0.005904815 0.007050850 0.007200522 0.008182953 0.009599538 0.011744499 0.012602747 0.015506329 0.019101822 0.021719851 0.023011408 0.025060050 0.029552164 0.030482189 0.031668838 0.032328604 0.033384114 0.034870967 0.037144457 0.040117594 0.040618878 0.044543954 0.046486263 0.046966497 0.051927606 0.052678736 0.054083257 0.055049295 0.058031812 0.059291994 0.064587512 0.067518224 0.068775444 0.072365859 0.076703779 0.077026966 0.077542625 0.079401879 0.081857628 0.083008114 0.088876710 0.096033872 0.099674202 0.100082209 0.103985502 0.106571593 0.109918467 0.112848950 0.115928755 0.130513971 0.132767735 0.135384974 0.139195149 0.146481745 0.152425586 0.157409235 0.161831530 0.166005491 0.169354187 0.173445920 0.178786731 0.183285582 0.188063430 0.195557492 0.201742198 0.208386741 0.219062428 0.229083372 0.241177691 0.255470720 0.271701767 0.292790511 0.310252885 0.344997590 0.397675844 0.417226603 0.430988477 0.478058549 0.539424409 0.562837355 0.590544776 0.608205520 0.662784127 0.687497919 0.734815674 0.752525867 0.758043270 0.768918917 0.773549728 0.778585372 0.783300665 0.797489403 0.804502921 0.818808818 0.819762922 0.833929688 0.847112937 0.852617567 0.867249715 0.874866652 0.888450140 0.891893375 0.897393127 0.910524526 0.918487349 0.928065682 0.933495277 0.945683651 0.979950249 1.009234572 1.466332523 1.553879416</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="-3.48878845" y3="-2.19530758" z3="10.89092858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45523402" y3="-1.25057906" z3="10.31791499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.22651809" y3="-1.97326924" z3="11.94244673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.52911088" y3="-2.57512795" z3="10.8761462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52481176" y3="-3.21518216" z3="10.29262205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53258844" y3="-4.15402397" z3="10.88306234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49242702" y3="-2.82618306" z3="10.3253959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83997408" y3="-3.57535918" z3="8.84049082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8465788" y3="-4.03160266" z3="8.78194351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.095492" y3="-4.30566971" z3="8.47694691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66531252" y3="-1.98133201" z3="7.53223985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57402689" y3="-0.28530626" z3="6.05622184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31430698" y3="-0.34074479" z3="6.71320814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70503477" y3="0.78645022" z3="5.7943871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23289645" y3="-1.06353872" z3="4.77077607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04669714" y3="-2.11686903" z3="5.05366869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71496738" y3="-0.67326345" z3="4.34723203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33347264" y3="-1.00970958" z3="3.71295865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46457639" y3="0.03780346" z3="3.37096915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28481534" y3="-1.2990499" z3="4.19398448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10496942" y3="-1.91167236" z3="2.49622111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99473077" y3="-1.86348985" z3="1.83950677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03279675" y3="-2.96179228" z3="2.83838698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13599812" y3="-1.56628885" z3="1.67300083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.11008121" y3="-0.5104653" z3="1.34407208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06123541" y3="-1.70783917" z3="2.25781139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21082213" y3="-2.19938496" z3="0.76986784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62516736" y3="-2.5749741" z3="7.84831035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7745542" y3="-0.77458895" z3="6.81854777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77563238" y3="-0.48739224" z3="6.48512203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88385124" y3="-2.46437144" z3="7.98543893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4691027" y3="0.20464986" z3="11.63729942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40239152" y3="0.48049059" z3="12.70649071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40630055" y3="0.63203906" z3="11.23651643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.55706552" y3="-0.89474129" z3="11.57501913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7455317" y3="0.69143519" z3="10.85117782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66642713" y3="0.25588927" z3="11.27407025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84740551" y3="1.78789302" z3="10.96212261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68130626" y3="0.31952574" z3="9.36875274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49681663" y3="-0.76657234" z3="9.27422526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18139905" y3="0.81400599" z3="8.88458212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96378279" y3="0.71170667" z3="8.62856734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06985495" y3="0.60140212" z3="9.15059808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81084959" y3="1.46178756" z3="7.81312082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4888,-2.1953,10.8909;-3.4552,-1.2506,10.3179;-3.2265,-1.9733,11.9424;-4.5291,-2.5751,10.8761;-2.5248,-3.2152,10.2926;-2.5326,-4.154,10.8831;-1.4924,-2.8262,10.3254;-2.84,-3.5754,8.8405;-3.8466,-4.0316,8.7819;-2.0955,-4.3057,8.4769;-1.6653,-1.9813,7.5322;-.574,-.2853,6.0562;.3143,-.3407,6.7132;-.705,.7865,5.7944;-.2329,-1.0635,4.7708;-.0467,-2.1169,5.0537;.715,-.6733,4.3472;-1.3335,-1.0097,3.713;-1.4646,.0378,3.371;-2.2848,-1.299,4.194;-1.105,-1.9117,2.4962;-1.9947,-1.8635,1.8395;-1.0328,-2.9618,2.8384;.136,-1.5663,1.673;.1101,-.5105,1.3441;1.0612,-1.7078,2.2578;.2108,-2.1994,.7699;-.6252,-2.575,7.8483;-1.7746,-.7746,6.8185;-2.7756,-.4874,6.4851;-2.8839,-2.4644,7.9854;.4691,.2046,11.6373;.4024,.4805,12.7065;1.4063,.632,11.2365;.5571,-.8947,11.575;-.7455,.6914,10.8512;-1.6664,.2559,11.2741;-.8474,1.7879,10.9621;-.6813,.3195,9.3688;-.4968,-.7666,9.2742;.1814,.814,8.8846;-1.9638,.7117,8.6286;-3.0699,.6014,9.1506;-1.8108,1.4618,7.8131;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604301102744</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001515667364 0.000222487598 0.030164941258 0.008685058011</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021065915 -0.000102774 0.000104147 0.000184325 0.000495480 0.000922603 0.001522416 0.001783142 0.002113129 0.002567190 0.002879461 0.003606529 0.003981868 0.004392705 0.005907235 0.007051798 0.007207643 0.008183489 0.009597326 0.011747126 0.012608960 0.015507843 0.019102268 0.021719806 0.023014025 0.025062426 0.029552171 0.030482364 0.031669810 0.032329146 0.033384125 0.034872107 0.037163224 0.040125354 0.040675609 0.044546924 0.046486361 0.046966969 0.051927997 0.052679361 0.054083838 0.055051686 0.058032750 0.059293910 0.064588604 0.067518809 0.068781628 0.072374967 0.076704490 0.077028410 0.077543600 0.079401578 0.081857472 0.083015906 0.088881172 0.096038445 0.099674402 0.100082240 0.104006292 0.106572405 0.109918286 0.112849008 0.115928788 0.130514457 0.132772598 0.135385044 0.139195450 0.146482018 0.152436646 0.157413741 0.161843619 0.166011261 0.169355196 0.173449011 0.178795992 0.183294654 0.188108646 0.195572780 0.201748286 0.208400632 0.219073129 0.229090862 0.241190226 0.255478846 0.271848268 0.292806580 0.310252979 0.345000263 0.397676577 0.417228610 0.430988813 0.478058683 0.539425533 0.562868393 0.590545731 0.608207081 0.662784359 0.687501269 0.734816660 0.752526430 0.758044335 0.768943507 0.773549843 0.778586173 0.783300834 0.797494312 0.804503560 0.818808965 0.819763523 0.833956475 0.847113791 0.852621320 0.867255534 0.874922807 0.888450571 0.891894294 0.897393560 0.910528182 0.918489015 0.928307703 0.933502275 0.945698827 0.979952411 1.009252256 1.466394496 1.553880350</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="-3.49222433" y3="-2.18626678" z3="10.89089887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45310894" y3="-1.24354851" z3="10.31543845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23536866" y3="-1.96197083" z3="11.94299593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53312152" y3="-2.56292231" z3="10.87142608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52763091" y3="-3.21028117" z3="10.30105266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53917152" y3="-4.14630811" z3="10.89558367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49496683" y3="-2.822762" z3="10.33638561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83742038" y3="-3.57673081" z3="8.84951741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84333487" y3="-4.03413148" z3="8.7892215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09084218" y3="-4.30749471" z3="8.49128644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6602859" y3="-1.9875738" z3="7.53792036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56867771" y3="-0.29498397" z3="6.05721936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32086573" y3="-0.3530865" z3="6.71213239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69746988" y3="0.77722251" z3="5.79611864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23187648" y3="-1.07259033" z3="4.77011895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04256632" y3="-2.12585469" z3="5.051094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71374629" y3="-0.6800941" z3="4.34372204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33546963" y3="-1.02037642" z3="3.71541404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47665383" y3="0.02848809" z3="3.38185561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28330781" y3="-1.32153077" z3="4.19630977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10208686" y3="-1.91032731" z3="2.49064978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99570989" y3="-1.8673881" z3="1.83913781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01586947" y3="-2.96215712" z3="2.82377284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1301645" y3="-1.54401162" z3="1.66277394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08966626" y3="-0.48614118" z3="1.3420161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06069457" y3="-1.67901746" z3="2.24066422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20722204" y3="-2.16922002" z3="0.7542845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62121945" y3="-2.58139483" z3="7.85492625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76842762" y3="-0.78001801" z3="6.82373939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76941731" y3="-0.49657403" z3="6.48628912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87933254" y3="-2.46894174" z3="7.99013047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46110607" y3="0.20158704" z3="11.6408117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39270761" y3="0.48086404" z3="12.70843185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40445782" y3="0.62145459" z3="11.24185887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.54142808" y3="-0.89957277" z3="11.58176285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74630805" y3="0.69617242" z3="10.84772724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.67363945" y3="0.27189944" z3="11.2686978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83864867" y3="1.79533865" z3="10.95376517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67924109" y3="0.31558341" z3="9.36754557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49820924" y3="-0.77226462" z3="9.27865176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18723093" y3="0.80536099" z3="8.88392592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95799603" y3="0.70527452" z3="8.61940469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06553175" y3="0.59917106" z3="9.14172442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80251656" y3="1.45650666" z3="7.80396883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4922,-2.1863,10.8909;-3.4531,-1.2435,10.3154;-3.2354,-1.962,11.943;-4.5331,-2.5629,10.8714;-2.5276,-3.2103,10.3011;-2.5392,-4.1463,10.8956;-1.495,-2.8228,10.3364;-2.8374,-3.5767,8.8495;-3.8433,-4.0341,8.7892;-2.0908,-4.3075,8.4913;-1.6603,-1.9876,7.5379;-.5687,-.295,6.0572;.3209,-.3531,6.7121;-.6975,.7772,5.7961;-.2319,-1.0726,4.7701;-.0426,-2.1259,5.0511;.7137,-.6801,4.3437;-1.3355,-1.0204,3.7154;-1.4767,.0285,3.3819;-2.2833,-1.3215,4.1963;-1.1021,-1.9103,2.4906;-1.9957,-1.8674,1.8391;-1.0159,-2.9622,2.8238;.1302,-1.544,1.6628;.0897,-.4861,1.342;1.0607,-1.679,2.2407;.2072,-2.1692,.7543;-.6212,-2.5814,7.8549;-1.7684,-.78,6.8237;-2.7694,-.4966,6.4863;-2.8793,-2.4689,7.9901;.4611,.2016,11.6408;.3927,.4809,12.7084;1.4045,.6215,11.2419;.5414,-.8996,11.5818;-.7463,.6962,10.8477;-1.6736,.2719,11.2687;-.8386,1.7953,10.9538;-.6792,.3156,9.3675;-.4982,-.7723,9.2787;.1872,.8054,8.8839;-1.958,.7053,8.6194;-3.0655,.5992,9.1417;-1.8025,1.4565,7.804;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604301577899</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001385711934 0.000222820632 0.031650133150 0.008825880404</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021105839 -0.000046750 0.000133323 0.000176905 0.000495786 0.000928874 0.001520094 0.001786279 0.002115418 0.002566914 0.002880489 0.003614367 0.003997441 0.004392604 0.005906618 0.007051690 0.007209908 0.008184123 0.009595954 0.011746156 0.012616653 0.015508985 0.019102386 0.021719830 0.023019385 0.025064271 0.029552007 0.030482984 0.031670309 0.032328394 0.033384862 0.034874017 0.037178263 0.040132444 0.040735957 0.044551447 0.046486311 0.046967138 0.051928330 0.052680562 0.054083898 0.055057756 0.058037312 0.059293306 0.064590399 0.067518883 0.068784525 0.072379256 0.076704956 0.077030616 0.077548736 0.079401583 0.081857242 0.083029366 0.088885073 0.096041951 0.099674394 0.100082100 0.104031922 0.106572883 0.109918965 0.112849184 0.115928910 0.130514900 0.132778087 0.135385919 0.139195394 0.146483104 0.152444193 0.157418046 0.161848854 0.166017738 0.169355962 0.173452294 0.178805498 0.183301750 0.188164882 0.195595415 0.201759358 0.208408589 0.219073889 0.229099509 0.241211524 0.255485909 0.271953030 0.292807163 0.310253523 0.345002623 0.397676332 0.417228646 0.430993039 0.478059429 0.539426626 0.562896449 0.590547771 0.608207130 0.662784783 0.687502003 0.734817127 0.752526845 0.758044568 0.768953836 0.773550318 0.778587126 0.783301033 0.797495031 0.804504200 0.818809150 0.819764549 0.833968950 0.847116241 0.852621407 0.867257360 0.874968650 0.888451522 0.891898983 0.897401078 0.910528254 0.918489768 0.928510089 0.933510298 0.945718066 0.979954930 1.009275014 1.466452941 1.553883797</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="-3.5041275" y3="-2.18344111" z3="10.8918054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.46227278" y3="-1.24266645" z3="10.31255991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25187586" y3="-1.95495181" z3="11.94434937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54525086" y3="-2.56090149" z3="10.86899073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53663223" y3="-3.20985624" z3="10.31042623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.55125757" y3="-4.14388347" z3="10.90823457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50389876" y3="-2.82235938" z3="10.34933653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83993057" y3="-3.58155629" z3="8.85876393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8456423" y3="-4.03898928" z3="8.79582464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09207642" y3="-4.31383692" z3="8.50645118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6574422" y3="-1.99763872" z3="7.54500565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56191725" y3="-0.31019135" z3="6.06043934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32745847" y3="-0.37533021" z3="6.71497274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.68574622" y3="0.76381892" z3="5.80394052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22861703" y3="-1.08317675" z3="4.7695315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04031997" y3="-2.13816103" z3="5.04517986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71695297" y3="-0.6900822" z3="4.34339496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33388889" y3="-1.02514934" z3="3.71664898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47894212" y3="0.02625479" z3="3.39243585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28007169" y3="-1.33348009" z3="4.19615316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.0993915" y3="-1.90361787" z3="2.48363851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99633554" y3="-1.86223507" z3="1.83598448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00377805" y3="-2.95781655" z3="2.80789391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12638695" y3="-1.52108245" z3="1.65355193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07689995" y3="-0.46059745" z3="1.34245354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06077701" y3="-1.65453287" z3="2.22578907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20334373" y3="-2.13756988" z3="0.73917184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61948276" y3="-2.59025295" z3="7.86820602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76344275" y3="-0.79267438" z3="6.82566714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76352416" y3="-0.51072386" z3="6.48444847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87810441" y3="-2.47698894" z3="7.99495482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46526691" y3="0.21197551" z3="11.63793488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39745054" y3="0.49603264" z3="12.70450406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40834546" y3="0.62742438" z3="11.23701823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.54355164" y3="-0.88938434" z3="11.58371197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7420227" y3="0.70339463" z3="10.84304798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66902573" y3="0.28279512" z3="11.26813863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83198521" y3="1.80241299" z3="10.941412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67694006" y3="0.31340105" z3="9.36493588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49562543" y3="-0.77470357" z3="9.28547996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18834257" y3="0.79866622" z3="8.87577157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95720383" y3="0.69904" z3="8.61638718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06495648" y3="0.59372899" z3="9.13750585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80140918" y3="1.44827437" z3="7.8003199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5041,-2.1834,10.8918;-3.4623,-1.2427,10.3126;-3.2519,-1.955,11.9443;-4.5453,-2.5609,10.869;-2.5366,-3.2099,10.3104;-2.5513,-4.1439,10.9082;-1.5039,-2.8224,10.3493;-2.8399,-3.5816,8.8588;-3.8456,-4.039,8.7958;-2.0921,-4.3138,8.5065;-1.6574,-1.9976,7.545;-.5619,-.3102,6.0604;.3275,-.3753,6.715;-.6857,.7638,5.8039;-.2286,-1.0832,4.7695;-.0403,-2.1382,5.0452;.717,-.6901,4.3434;-1.3339,-1.0251,3.7166;-1.4789,.0263,3.3924;-2.2801,-1.3335,4.1962;-1.0994,-1.9036,2.4836;-1.9963,-1.8622,1.836;-1.0038,-2.9578,2.8079;.1264,-1.5211,1.6536;.0769,-.4606,1.3425;1.0608,-1.6545,2.2258;.2033,-2.1376,.7392;-.6195,-2.5903,7.8682;-1.7634,-.7927,6.8257;-2.7635,-.5107,6.4844;-2.8781,-2.477,7.995;.4653,.212,11.6379;.3975,.496,12.7045;1.4083,.6274,11.237;.5436,-.8894,11.5837;-.742,.7034,10.843;-1.669,.2828,11.2681;-.832,1.8024,10.9414;-.6769,.3134,9.3649;-.4956,-.7747,9.2855;.1883,.7987,8.8758;-1.9572,.699,8.6164;-3.065,.5937,9.1375;-1.8014,1.4483,7.8003;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604300157958</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000782529952 0.000183671019 0.032802821749 0.008804339237</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021083754 -0.000056734 0.000143758 0.000202483 0.000502060 0.000925099 0.001516488 0.001785566 0.002115918 0.002566545 0.002883422 0.003613710 0.004006572 0.004393515 0.005906943 0.007051157 0.007231070 0.008186138 0.009593358 0.011745167 0.012622224 0.015510079 0.019103449 0.021719857 0.023023147 0.025066928 0.029552614 0.030485340 0.031670665 0.032329880 0.033386098 0.034875615 0.037183257 0.040139243 0.040801388 0.044552586 0.046486316 0.046967402 0.051928558 0.052682199 0.054084105 0.055060215 0.058036417 0.059292908 0.064590771 0.067519089 0.068787133 0.072382342 0.076705495 0.077030850 0.077548530 0.079402352 0.081856559 0.083047026 0.088886584 0.096043324 0.099674417 0.100082126 0.104031988 0.106573070 0.109918675 0.112849218 0.115929031 0.130514709 0.132779130 0.135385895 0.139195713 0.146482705 0.152458150 0.157421876 0.161863280 0.166017554 0.169358626 0.173456999 0.178809912 0.183302107 0.188206806 0.195610103 0.201764970 0.208425394 0.219090432 0.229097281 0.241214252 0.255488806 0.271969384 0.292821902 0.310253542 0.345003099 0.397676513 0.417235129 0.430994228 0.478060644 0.539428116 0.562912312 0.590552387 0.608207786 0.662785005 0.687528575 0.734817926 0.752527730 0.758045237 0.768969665 0.773550745 0.778588212 0.783305038 0.797495821 0.804504976 0.818809426 0.819765200 0.833982257 0.847118391 0.852621401 0.867265658 0.875029467 0.888469129 0.891906405 0.897401380 0.910528332 0.918496179 0.928514433 0.933510728 0.945724857 0.979957882 1.009304510 1.466496773 1.553883708</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="-3.49652598" y3="-2.18845916" z3="10.88994389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.4580249" y3="-1.24552065" z3="10.31440478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24046461" y3="-1.96384828" z3="11.94227732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53717352" y3="-2.56673969" z3="10.86976525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53034009" y3="-3.21138619" z3="10.30066746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.54175288" y3="-4.14778264" z3="10.89469014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49793706" y3="-2.82300072" z3="10.33718267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83864273" y3="-3.57729808" z3="8.84866754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84438288" y3="-4.03491837" z3="8.78735565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09170831" y3="-4.30780239" z3="8.49083215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66092996" y3="-1.98749035" z3="7.53804588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.569036" y3="-0.29460195" z3="6.05776417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32023765" y3="-0.35274328" z3="6.71305586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69800818" y3="0.77767251" z3="5.79716854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23131173" y3="-1.07156927" z3="4.77056423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04162405" y3="-2.12482267" z3="5.05138792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71428699" y3="-0.67852828" z3="4.34451686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3348194" y3="-1.01978773" z3="3.71568676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47582795" y3="0.02881147" z3="3.38136549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28265977" y3="-1.32053782" z3="4.19662585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10142566" y3="-1.91076561" z3="2.49183682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99525615" y3="-1.86922503" z3="1.84018462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01447048" y3="-2.96220582" z3="2.82616183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13045483" y3="-1.54446973" z3="1.66391833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08949973" y3="-0.48700512" z3="1.34232686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06104652" y3="-1.67839734" z3="2.24197988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.2076262" y3="-2.1703727" z3="0.75613142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62173593" y3="-2.58079438" z3="7.85623593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7691142" y3="-0.78056419" z3="6.8231011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77000596" y3="-0.49674428" z3="6.48596398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88015817" y3="-2.46925785" z3="7.98964867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46610902" y3="0.20426736" z3="11.63825739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39877678" y3="0.48294233" z3="12.70630609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40746527" y3="0.62518314" z3="11.23821838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.54788451" y3="-0.89641305" z3="11.57866027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74360769" y3="0.69625767" z3="10.84754477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66881763" y3="0.26958073" z3="11.2703738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83778986" y3="1.7944633" z3="10.95347755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67843031" y3="0.31645859" z3="9.36702529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49591551" y3="-0.77082299" z3="9.27881321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18623068" y3="0.80679225" z3="8.88151748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95919931" y3="0.70574644" z3="8.62181814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06617523" y3="0.59832405" z3="9.14404522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80470788" y3="1.4567631" z3="7.80685739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4965,-2.1885,10.8899;-3.458,-1.2455,10.3144;-3.2405,-1.9638,11.9423;-4.5372,-2.5667,10.8698;-2.5303,-3.2114,10.3007;-2.5418,-4.1478,10.8947;-1.4979,-2.823,10.3372;-2.8386,-3.5773,8.8487;-3.8444,-4.0349,8.7874;-2.0917,-4.3078,8.4908;-1.6609,-1.9875,7.538;-.569,-.2946,6.0578;.3202,-.3527,6.7131;-.698,.7777,5.7972;-.2313,-1.0716,4.7706;-.0416,-2.1248,5.0514;.7143,-.6785,4.3445;-1.3348,-1.0198,3.7157;-1.4758,.0288,3.3814;-2.2827,-1.3205,4.1966;-1.1014,-1.9108,2.4918;-1.9953,-1.8692,1.8402;-1.0145,-2.9622,2.8262;.1305,-1.5445,1.6639;.0895,-.487,1.3423;1.061,-1.6784,2.242;.2076,-2.1704,.7561;-.6217,-2.5808,7.8562;-1.7691,-.7806,6.8231;-2.77,-.4967,6.486;-2.8802,-2.4693,7.9896;.4661,.2043,11.6383;.3988,.4829,12.7063;1.4075,.6252,11.2382;.5479,-.8964,11.5787;-.7436,.6963,10.8475;-1.6688,.2696,11.2704;-.8378,1.7945,10.9535;-.6784,.3165,9.367;-.4959,-.7708,9.2788;.1862,.8068,8.8815;-1.9592,.7057,8.6218;-3.0662,.5983,9.144;-1.8047,1.4568,7.8069;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604303734338</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000273899699 0.000062119075 0.039064761076 0.008645174046</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001642937184 0.001095291456</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020696225 -0.000727043 0.000036047 0.000188074 0.000498119 0.000875891 0.001501177 0.001770515 0.002115626 0.002567937 0.002889267 0.003624807 0.004030918 0.004390979 0.005898414 0.007038373 0.007316483 0.008186162 0.009594592 0.011743287 0.012666815 0.015514756 0.019103242 0.021719702 0.023036849 0.025072249 0.029554358 0.030493355 0.031670232 0.032325827 0.033393193 0.034879505 0.037204025 0.040158719 0.041130994 0.044557148 0.046486991 0.046967714 0.051928838 0.052684762 0.054081476 0.055080977 0.058035613 0.059293795 0.064593534 0.067519062 0.068807122 0.072391387 0.076705888 0.077024521 0.077542291 0.079406303 0.081857227 0.083115403 0.088887083 0.096043624 0.099673933 0.100082481 0.103982532 0.106571594 0.109918685 0.112848883 0.115929628 0.130513944 0.132774217 0.135387355 0.139195707 0.146481833 0.152518037 0.157427597 0.161931369 0.166009159 0.169361569 0.173461695 0.178819451 0.183310756 0.188387168 0.195671655 0.201777138 0.208460698 0.219100826 0.229093039 0.241195821 0.255492518 0.271994152 0.292840380 0.310254055 0.345005600 0.397676923 0.417244934 0.431011708 0.478065789 0.539431874 0.562939485 0.590565544 0.608208322 0.662785127 0.687605538 0.734817610 0.752529625 0.758049661 0.769007489 0.773551803 0.778589421 0.783308550 0.797497175 0.804505579 0.818809508 0.819766732 0.834012270 0.847121789 0.852621567 0.867277436 0.875211114 0.888542809 0.891927553 0.897399096 0.910530245 0.918500759 0.928479658 0.933511310 0.945747460 0.979963561 1.009372679 1.466590796 1.553885877</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="-3.51328111" y3="-2.19682437" z3="10.8882982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47141501" y3="-1.25206977" z3="10.31687627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26372537" y3="-1.97598152" z3="11.94283046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.55337266" y3="-2.57492514" z3="10.86074372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.54327542" y3="-3.216883" z3="10.30074443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.55494496" y3="-4.15421012" z3="10.89344594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51180242" y3="-2.82634791" z3="10.34146964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.84523198" y3="-3.58134611" z3="8.84703833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84993097" y3="-4.04099765" z3="8.7810858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09521896" y3="-4.30995838" z3="8.49145686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66441753" y3="-1.99027275" z3="7.54073626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56966995" y3="-0.29787408" z3="6.06179834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.3183173" y3="-0.35797791" z3="6.71875036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69749142" y3="0.77517984" z3="5.80302223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23033148" y3="-1.07234021" z3="4.77353187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04302947" y3="-2.126612" z3="5.05242619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71677693" y3="-0.67997638" z3="4.35020008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33203882" y3="-1.01630177" z3="3.71693802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46913243" y3="0.03295199" z3="3.38302592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28145664" y3="-1.31428065" z3="4.19642882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09961869" y3="-1.90740404" z3="2.49312379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99243703" y3="-1.8635243" z3="1.84065779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01550134" y3="-2.95883284" z3="2.82738362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13386799" y3="-1.54354591" z3="1.66682607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09321657" y3="-0.48712461" z3="1.34193851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06303218" y3="-1.67545815" z3="2.24757151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21339723" y3="-2.17228957" z3="0.76110164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62584813" y3="-2.58276405" z3="7.86305575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77132819" y3="-0.78548642" z3="6.82327018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77178812" y3="-0.50006109" z3="6.48609734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88505714" y3="-2.47228007" z3="7.98935928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48832004" y3="0.22035764" z3="11.62662747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.42677619" y3="0.49738768" z3="12.69524318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41963466" y3="0.65737348" z3="11.21816949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58694927" y3="-0.87855454" z3="11.56598486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.735813" y3="0.69508992" z3="10.84698916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65152368" y3="0.25401371" z3="11.27605785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84613449" y3="1.79246543" z3="10.9560045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67695973" y3="0.31843559" z3="9.36612192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49348931" y3="-0.76858501" z3="9.27225525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18468453" y3="0.81358077" z3="8.87953877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96046819" y3="0.70542101" z3="8.62692062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06451826" y3="0.59479847" z3="9.15477725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81308275" y3="1.45342211" z3="7.80644927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5133,-2.1968,10.8883;-3.4714,-1.2521,10.3169;-3.2637,-1.976,11.9428;-4.5534,-2.5749,10.8607;-2.5433,-3.2169,10.3007;-2.5549,-4.1542,10.8934;-1.5118,-2.8263,10.3415;-2.8452,-3.5813,8.847;-3.8499,-4.041,8.7811;-2.0952,-4.31,8.4915;-1.6644,-1.9903,7.5407;-.5697,-.2979,6.0618;.3183,-.358,6.7188;-.6975,.7752,5.803;-.2303,-1.0723,4.7735;-.043,-2.1266,5.0524;.7168,-.68,4.3502;-1.332,-1.0163,3.7169;-1.4691,.033,3.383;-2.2815,-1.3143,4.1964;-1.0996,-1.9074,2.4931;-1.9924,-1.8635,1.8407;-1.0155,-2.9588,2.8274;.1339,-1.5435,1.6668;.0932,-.4871,1.3419;1.063,-1.6755,2.2476;.2134,-2.1723,.7611;-.6258,-2.5828,7.8631;-1.7713,-.7855,6.8233;-2.7718,-.5001,6.4861;-2.8851,-2.4723,7.9894;.4883,.2204,11.6266;.4268,.4974,12.6952;1.4196,.6574,11.2182;.5869,-.8786,11.566;-.7358,.6951,10.847;-1.6515,.254,11.2761;-.8461,1.7925,10.956;-.677,.3184,9.3661;-.4935,-.7686,9.2723;.1847,.8136,8.8795;-1.9605,.7054,8.6269;-3.0645,.5948,9.1548;-1.8131,1.4534,7.8064;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604297056383</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001507433198 0.000317885947 0.013987701900 0.004790078533</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020708421 0.000016296 0.000037532 0.000198440 0.000499461 0.000886391 0.001504920 0.001778754 0.002118838 0.002567492 0.002891901 0.003623612 0.004034883 0.004392459 0.005899240 0.007039040 0.007332075 0.008193341 0.009593585 0.011742917 0.012675319 0.015519794 0.019103769 0.021719808 0.023043707 0.025074541 0.029554786 0.030496555 0.031670841 0.032328503 0.033394400 0.034882614 0.037204742 0.040163460 0.041278343 0.044568440 0.046486966 0.046968870 0.051929182 0.052684893 0.054081786 0.055091501 0.058035812 0.059293345 0.064592351 0.067519203 0.068806023 0.072393138 0.076705314 0.077025274 0.077544414 0.079408653 0.081857792 0.083164305 0.088893520 0.096040229 0.099673963 0.100082626 0.103981597 0.106572228 0.109918795 0.112848940 0.115929985 0.130514186 0.132787103 0.135389320 0.139195815 0.146481833 0.152549928 0.157433818 0.161972770 0.166009584 0.169364263 0.173463312 0.178827730 0.183331979 0.188501828 0.195716286 0.201818002 0.208492936 0.219100650 0.229088506 0.241208325 0.255491234 0.271959969 0.292846877 0.310254634 0.345007010 0.397683276 0.417258957 0.431024662 0.478069968 0.539436170 0.562996583 0.590573056 0.608208599 0.662785435 0.687715167 0.734822365 0.752530034 0.758054516 0.769032330 0.773552256 0.778589344 0.783309371 0.797498170 0.804505755 0.818809571 0.819767470 0.834010958 0.847124698 0.852622810 0.867289121 0.875373459 0.888573382 0.891932469 0.897399400 0.910531108 0.918500765 0.928597870 0.933514810 0.945784239 0.979962880 1.009440281 1.466822268 1.553912803</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="-3.50450578" y3="-2.19607027" z3="10.88797351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.46615307" y3="-1.25115837" z3="10.31602003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25065577" y3="-1.97478877" z3="11.94144733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54447634" y3="-2.575755" z3="10.86474077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53583408" y3="-3.21543178" z3="10.29663519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.54553559" y3="-4.15328169" z3="10.8883928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50433645" y3="-2.82481577" z3="10.33432655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.84257064" y3="-3.57842707" z3="8.84363531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84794428" y3="-4.03668965" z3="8.7804299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09478237" y3="-4.30772587" z3="8.48510588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66410806" y3="-1.9856139" z3="7.53741771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57073252" y3="-0.29202257" z3="6.05947747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31748737" y3="-0.35067197" z3="6.71606041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69940137" y3="0.7804356" z3="5.79962066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23131859" y3="-1.06821242" z3="4.7723775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04335449" y3="-2.12176664" z3="5.05324251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71536992" y3="-0.67609361" z3="4.34791122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3334625" y3="-1.0147412" z3="3.71618108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46978172" y3="0.03352426" z3="3.37878725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28297762" y3="-1.31036991" z3="4.1970538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.1024012" y3="-1.91045679" z3="2.49542863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99446851" y3="-1.86586866" z3="1.84159873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02212329" y3="-2.96129897" z3="2.83325954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13360365" y3="-1.55363423" z3="1.66952003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09863763" y3="-0.4973907" z3="1.34316748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06169601" y3="-1.68944585" z3="2.25112766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21063366" y3="-2.18395859" z3="0.76475375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62482729" y3="-2.57817077" z3="7.85778001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77184222" y3="-0.77985358" z3="6.82162855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77251865" y3="-0.4939432" z3="6.48576379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88392713" y3="-2.46871344" z3="7.98695505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48003063" y3="0.21307827" z3="11.63181648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41427851" y3="0.48705377" z3="12.70146931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41367924" y3="0.6482726" z3="11.22872107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57616881" y3="-0.88609519" z3="11.56783862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7399144" y3="0.69218301" z3="10.84926782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65751081" y3="0.25134004" z3="11.27440121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84803242" y3="1.78863514" z3="10.96090683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67669939" y3="0.32048025" z3="9.36651636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.48925961" y3="-0.76554407" z3="9.27150741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18404996" y3="0.81823697" z3="8.88127153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96115884" y3="0.7086096" z3="8.62769589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06600275" y3="0.59758875" z3="9.15247896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81137943" y3="1.45795956" z3="7.81066128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5045,-2.1961,10.888;-3.4662,-1.2512,10.316;-3.2507,-1.9748,11.9414;-4.5445,-2.5758,10.8647;-2.5358,-3.2154,10.2966;-2.5455,-4.1533,10.8884;-1.5043,-2.8248,10.3343;-2.8426,-3.5784,8.8436;-3.8479,-4.0367,8.7804;-2.0948,-4.3077,8.4851;-1.6641,-1.9856,7.5374;-.5707,-.292,6.0595;.3175,-.3507,6.7161;-.6994,.7804,5.7996;-.2313,-1.0682,4.7724;-.0434,-2.1218,5.0532;.7154,-.6761,4.3479;-1.3335,-1.0147,3.7162;-1.4698,.0335,3.3788;-2.283,-1.3104,4.1971;-1.1024,-1.9105,2.4954;-1.9945,-1.8659,1.8416;-1.0221,-2.9613,2.8333;.1336,-1.5536,1.6695;.0986,-.4974,1.3432;1.0617,-1.6894,2.2511;.2106,-2.184,.7648;-.6248,-2.5782,7.8578;-1.7718,-.7799,6.8216;-2.7725,-.4939,6.4858;-2.8839,-2.4687,7.987;.48,.2131,11.6318;.4143,.4871,12.7015;1.4137,.6483,11.2287;.5762,-.8861,11.5678;-.7399,.6922,10.8493;-1.6575,.2513,11.2744;-.848,1.7886,10.9609;-.6767,.3205,9.3665;-.4893,-.7655,9.2715;.184,.8182,8.8813;-1.9612,.7086,8.6277;-3.066,.5976,9.1525;-1.8114,1.458,7.8107;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604303478347</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000465064832 0.000082521604 0.020936231275 0.006921359784</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020725943 -0.000320453 0.000114373 0.000160251 0.000487308 0.000875184 0.001498627 0.001788705 0.002136733 0.002570936 0.002877079 0.003601387 0.004057211 0.004408275 0.005896679 0.007037758 0.007351538 0.008209039 0.009595885 0.011741090 0.012681783 0.015523940 0.019105036 0.021721246 0.023051894 0.025078943 0.029555921 0.030502193 0.031668879 0.032311785 0.033399111 0.034889257 0.037205895 0.040167577 0.041526105 0.044588688 0.046487411 0.046970865 0.051929282 0.052685043 0.054082139 0.055107127 0.058034653 0.059294227 0.064593169 0.067519311 0.068806006 0.072396157 0.076704790 0.077028564 0.077547678 0.079409215 0.081858171 0.083208054 0.088901489 0.096048803 0.099673920 0.100082788 0.103989491 0.106572312 0.109918842 0.112848904 0.115930781 0.130514263 0.132802347 0.135392131 0.139195808 0.146481796 0.152566692 0.157438941 0.161981270 0.166011577 0.169363977 0.173466384 0.178833014 0.183354662 0.188559796 0.195761220 0.201872072 0.208511538 0.219104454 0.229089812 0.241209173 0.255490226 0.271967904 0.292850358 0.310254600 0.345011577 0.397723802 0.417261805 0.431027004 0.478073104 0.539437199 0.563020703 0.590573315 0.608212240 0.662785490 0.687829600 0.734825125 0.752530273 0.758055181 0.769033276 0.773552363 0.778589511 0.783309532 0.797502373 0.804506154 0.818809634 0.819767515 0.834063172 0.847124866 0.852622807 0.867291409 0.875429503 0.888579034 0.891934434 0.897399615 0.910532292 0.918500961 0.928649543 0.933515774 0.945809805 0.979963173 1.009471551 1.466982588 1.553933606</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="-3.49450224" y3="-2.19469389" z3="10.88670202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45869874" y3="-1.24952925" z3="10.31476655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23713011" y3="-1.97365921" z3="11.93952284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53437929" y3="-2.5746399" z3="10.86677848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52744054" y3="-3.21338639" z3="10.2918442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53611787" y3="-4.1520543" z3="10.88223397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49582977" y3="-2.8231871" z3="10.32831707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83706337" y3="-3.57401959" z3="8.83876433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84222746" y3="-4.03286309" z3="8.77685373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08942912" y3="-4.30201872" z3="8.4771031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66303223" y3="-1.97805033" z3="7.53235629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57470627" y3="-0.27956284" z3="6.05618022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31462307" y3="-0.33082798" z3="6.71236692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70904921" y3="0.79127563" z3="5.79190082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23288661" y3="-1.05986171" z3="4.77203566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04241253" y3="-2.11181438" z3="5.05709946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71297754" y3="-0.66718487" z3="4.34624718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33486373" y3="-1.01255341" z3="3.71537897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46995851" y3="0.03349923" z3="3.37067368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28469368" y3="-1.30378507" z3="4.19825617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10480594" y3="-1.91681188" z3="2.50076085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99583377" y3="-1.87362938" z3="1.84552328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.0281777" y3="-2.96570226" z3="2.84544202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13343677" y3="-1.56891747" z3="1.67437105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.10236179" y3="-0.51442275" z3="1.34172592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06026868" y3="-1.70438532" z3="2.25815933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20964857" y3="-2.20489482" z3="0.77345092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62267321" y3="-2.57141665" z3="7.84680291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77342509" y3="-0.7694488" z3="6.82131459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77507912" y3="-0.48446813" z3="6.48743459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88113503" y3="-2.46261602" z3="7.98432068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47139084" y3="0.19951429" z3="11.63623186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40405526" y3="0.46951812" z3="12.70641931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40790141" y3="0.63245347" z3="11.23723649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.56301397" y3="-0.89955224" z3="11.56849546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74454771" y3="0.68716601" z3="10.85199405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66500923" y3="0.24804464" z3="11.27266895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84970815" y3="1.78374836" z3="10.96795114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67867377" y3="0.3212151" z3="9.36868212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49228594" y3="-0.7645348" z3="9.26870747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18413614" y3="0.82038448" z3="8.88865415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96053684" y3="0.71175561" z3="8.6269734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06621479" y3="0.60097918" z3="9.15192468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80964824" y3="1.46432573" z3="7.811746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4945,-2.1947,10.8867;-3.4587,-1.2495,10.3148;-3.2371,-1.9737,11.9395;-4.5344,-2.5746,10.8668;-2.5274,-3.2134,10.2918;-2.5361,-4.1521,10.8822;-1.4958,-2.8232,10.3283;-2.8371,-3.574,8.8388;-3.8422,-4.0329,8.7769;-2.0894,-4.302,8.4771;-1.663,-1.9781,7.5324;-.5747,-.2796,6.0562;.3146,-.3308,6.7124;-.709,.7913,5.7919;-.2329,-1.0599,4.772;-.0424,-2.1118,5.0571;.713,-.6672,4.3462;-1.3349,-1.0126,3.7154;-1.47,.0335,3.3707;-2.2847,-1.3038,4.1983;-1.1048,-1.9168,2.5008;-1.9958,-1.8736,1.8455;-1.0282,-2.9657,2.8454;.1334,-1.5689,1.6744;.1024,-.5144,1.3417;1.0603,-1.7044,2.2582;.2096,-2.2049,.7735;-.6227,-2.5714,7.8468;-1.7734,-.7694,6.8213;-2.7751,-.4845,6.4874;-2.8811,-2.4626,7.9843;.4714,.1995,11.6362;.4041,.4695,12.7064;1.4079,.6325,11.2372;.563,-.8996,11.5685;-.7445,.6872,10.852;-1.665,.248,11.2727;-.8497,1.7837,10.968;-.6787,.3212,9.3687;-.4923,-.7645,9.2687;.1841,.8204,8.8887;-1.9605,.7118,8.627;-3.0662,.601,9.1519;-1.8096,1.4643,7.8117;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604302275495</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001351073533 0.000207981485 0.024829903460 0.008705899242</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020618405 -0.000637697 0.000085958 0.000144819 0.000395154 0.000863545 0.001485297 0.001784909 0.002169835 0.002576647 0.002844090 0.003487298 0.004043189 0.004409116 0.005891100 0.007025869 0.007314684 0.008217481 0.009600588 0.011736883 0.012689767 0.015535888 0.019107456 0.021723124 0.023044515 0.025084670 0.029554993 0.030510935 0.031658340 0.032249925 0.033389054 0.034895113 0.037203558 0.040169389 0.041759770 0.044624300 0.046489331 0.046974457 0.051928979 0.052685936 0.054084919 0.055080084 0.058031680 0.059293305 0.064596236 0.067519291 0.068809820 0.072399464 0.076704086 0.077038954 0.077557336 0.079410327 0.081858559 0.083265263 0.088920895 0.096053013 0.099673795 0.100082931 0.104000872 0.106572503 0.109919178 0.112848815 0.115932015 0.130514669 0.132826349 0.135396917 0.139195769 0.146480702 0.152575380 0.157443817 0.162014179 0.166012895 0.169364849 0.173467114 0.178834885 0.183380450 0.188651634 0.195818192 0.201921941 0.208545703 0.219098522 0.229102727 0.241235501 0.255494980 0.272023758 0.292853732 0.310255484 0.345014419 0.397715804 0.417261583 0.431027503 0.478074009 0.539439356 0.563082748 0.590577180 0.608214115 0.662785829 0.687900763 0.734826794 0.752530770 0.758055373 0.769039186 0.773552680 0.778590174 0.783309636 0.797503546 0.804506472 0.818809629 0.819768115 0.834041884 0.847126331 0.852623883 0.867291355 0.875428894 0.888616655 0.891940654 0.897400038 0.910532254 0.918501258 0.928696773 0.933523971 0.945805561 0.979965436 1.009500013 1.467181724 1.553946522</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="-3.50637461" y3="-2.19598982" z3="10.87823188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.46861848" y3="-1.24879751" z3="10.31000426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25742262" y3="-1.9779434" z3="11.93354329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54503142" y3="-2.57950608" z3="10.84939896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5314146" y3="-3.20954314" z3="10.28664469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5374468" y3="-4.14897265" z3="10.87621746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50169464" y3="-2.81351907" z3="10.32710037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83420777" y3="-3.57060015" z3="8.83238972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83716496" y3="-4.03395351" z3="8.76637887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08212226" y3="-4.29481011" z3="8.47258811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66305252" y3="-1.96879357" z3="7.53071899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57876699" y3="-0.26656101" z3="6.05579524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31115953" y3="-0.31156322" z3="6.71097773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71740912" y3="0.8021786" z3="5.78750944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23439789" y3="-1.05148061" z3="4.77545309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03596829" y3="-2.10025522" z3="5.0666812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70788722" y3="-0.65458744" z3="4.34570413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33844498" y3="-1.01915497" z3="3.72026599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48265612" y3="0.02356907" z3="3.36932512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28528042" y3="-1.31533071" z3="4.20609052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10277609" y3="-1.92937138" z3="2.51113296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99542631" y3="-1.89845928" z3="1.85707536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01649231" y3="-2.9752012" z3="2.86278791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13088252" y3="-1.57688538" z3="1.67997529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09062133" y3="-0.52516197" z3="1.34008473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06003832" y3="-1.70075498" z3="2.26260532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21032504" y3="-2.21832889" z3="0.7833204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62115029" y3="-2.56011999" z3="7.84476576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77530055" y3="-0.75764011" z3="6.82364887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77767174" y3="-0.47428684" z3="6.49070476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88022247" y3="-2.45819567" z3="7.97911352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4788395" y3="0.19037884" z3="11.63356274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40784865" y3="0.4464262" z3="12.70745267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4127354" y3="0.63507567" z3="11.24102726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57934115" y3="-0.90768519" z3="11.55201399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74006808" y3="0.6766257" z3="10.85422934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65774396" y3="0.227287" z3="11.26998855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85145746" y3="1.77072047" z3="10.98150532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67033196" y3="0.32697906" z3="9.36568244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47201858" y3="-0.75587602" z3="9.25739708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18689801" y3="0.83880774" z3="8.88870284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95754811" y3="0.71550699" z3="8.62926617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06176592" y3="0.60295606" z3="9.15518813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80749012" y3="1.47220499" z3="7.82012237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5064,-2.196,10.8782;-3.4686,-1.2488,10.31;-3.2574,-1.9779,11.9335;-4.545,-2.5795,10.8494;-2.5314,-3.2095,10.2866;-2.5374,-4.149,10.8762;-1.5017,-2.8135,10.3271;-2.8342,-3.5706,8.8324;-3.8372,-4.034,8.7664;-2.0821,-4.2948,8.4726;-1.6631,-1.9688,7.5307;-.5788,-.2666,6.0558;.3112,-.3116,6.711;-.7174,.8022,5.7875;-.2344,-1.0515,4.7755;-.036,-2.1003,5.0667;.7079,-.6546,4.3457;-1.3384,-1.0192,3.7203;-1.4827,.0236,3.3693;-2.2853,-1.3153,4.2061;-1.1028,-1.9294,2.5111;-1.9954,-1.8985,1.8571;-1.0165,-2.9752,2.8628;.1309,-1.5769,1.68;.0906,-.5252,1.3401;1.06,-1.7008,2.2626;.2103,-2.2183,.7833;-.6212,-2.5601,7.8448;-1.7753,-.7576,6.8236;-2.7777,-.4743,6.4907;-2.8802,-2.4582,7.9791;.4788,.1904,11.6336;.4078,.4464,12.7075;1.4127,.6351,11.241;.5793,-.9077,11.552;-.7401,.6766,10.8542;-1.6577,.2273,11.27;-.8515,1.7707,10.9815;-.6703,.327,9.3657;-.472,-.7559,9.2574;.1869,.8388,8.8887;-1.9575,.7155,8.6293;-3.0618,.603,9.1552;-1.8075,1.4722,7.8201;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604298886499</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002352796205 0.000362659060 0.028113130832 0.008695870009</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020621799 -0.000152452 0.000085343 0.000165552 0.000397022 0.000863600 0.001486599 0.001793509 0.002180539 0.002577797 0.002845192 0.003490082 0.004056924 0.004419275 0.005892787 0.007028713 0.007317968 0.008223325 0.009609964 0.011740417 0.012693202 0.015537832 0.019109723 0.021725321 0.023044939 0.025088096 0.029556650 0.030518178 0.031658549 0.032250110 0.033389940 0.034898502 0.037212532 0.040170296 0.041972267 0.044654782 0.046490800 0.046976571 0.051928780 0.052685456 0.054088007 0.055083762 0.058032243 0.059292803 0.064599459 0.067518688 0.068806608 0.072398843 0.076703701 0.077040205 0.077559608 0.079410846 0.081857819 0.083305885 0.088929565 0.096067639 0.099673800 0.100082715 0.104012279 0.106572604 0.109919286 0.112848756 0.115932606 0.130514711 0.132840183 0.135401962 0.139195274 0.146480994 0.152584475 0.157446892 0.162020033 0.166013382 0.169367453 0.173467742 0.178835289 0.183406449 0.188739196 0.195889264 0.201989477 0.208578840 0.219100572 0.229087180 0.241234175 0.255505509 0.271979592 0.292864881 0.310256392 0.345016574 0.397792672 0.417262626 0.431026768 0.478078803 0.539440532 0.563139186 0.590582030 0.608223293 0.662785991 0.688153899 0.734829630 0.752532024 0.758057650 0.769037515 0.773553032 0.778591776 0.783309102 0.797505096 0.804506373 0.818809546 0.819768624 0.834096394 0.847126751 0.852623629 0.867292247 0.875478380 0.888703084 0.891950113 0.897401086 0.910532129 0.918501507 0.928693510 0.933531610 0.945829450 0.979969733 1.009563827 1.467682362 1.553982754</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="-3.51114288" y3="-2.19648255" z3="10.87314188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47438827" y3="-1.2475123" z3="10.3074779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26575713" y3="-1.98069067" z3="11.92981116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5484941" y3="-2.58272875" z3="10.8401906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53211752" y3="-3.20564428" z3="10.28147467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5365457" y3="-4.14605865" z3="10.86901943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.503942" y3="-2.80690651" z3="10.32512003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83089475" y3="-3.56473599" z3="8.82597208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83198283" y3="-4.03135099" z3="8.75733708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0756171" y3="-4.28523997" z3="8.4655427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66379654" y3="-1.95852952" z3="7.52609158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58491815" y3="-0.24997597" z3="6.0541869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30577099" y3="-0.28345009" z3="6.70999476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.73194288" y3="0.81620996" z3="5.77866645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23501689" y3="-1.04138883" z3="4.7791342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03001641" y3="-2.08688391" z3="5.07761703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70482065" y3="-0.64143799" z3="4.3468453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33939596" y3="-1.02291599" z3="3.72394968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48852983" y3="0.0161655" z3="3.36416788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28447573" y3="-1.31926889" z3="4.21288215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09990377" y3="-1.94219531" z3="2.52251619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99337967" y3="-1.92237272" z3="1.86934801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00680487" y3="-2.984326" z3="2.88333069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13054489" y3="-1.58905973" z3="1.68703118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08169226" y3="-0.54118773" z3="1.33577096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06080501" y3="-1.69928187" z3="2.27093925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21480511" y3="-2.23969583" z3="0.79720904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62082598" y3="-2.55038425" z3="7.83407873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77890163" y3="-0.74423358" z3="6.82466772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7822552" y3="-0.46198817" z3="6.49357521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87930611" y3="-2.45042284" z3="7.97546335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48492349" y3="0.1759787" z3="11.62859002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41528504" y3="0.42063938" z3="12.7047059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4158782" y3="0.62847345" z3="11.23869457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58983549" y3="-0.92035179" z3="11.53622156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73769354" y3="0.66604647" z3="10.8560853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65258523" y3="0.20804301" z3="11.26945407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85550005" y3="1.75887892" z3="10.99394614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66889453" y3="0.33076527" z3="9.36580031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46801885" y3="-0.75059575" z3="9.24516826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18724168" y3="0.85090634" z3="8.89572169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95634057" y3="0.71962869" z3="8.63097361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05931537" y3="0.60426021" z3="9.16231266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81126454" y3="1.48068884" z3="7.82214499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5111,-2.1965,10.8731;-3.4744,-1.2475,10.3075;-3.2658,-1.9807,11.9298;-4.5485,-2.5827,10.8402;-2.5321,-3.2056,10.2815;-2.5365,-4.1461,10.869;-1.5039,-2.8069,10.3251;-2.8309,-3.5647,8.826;-3.832,-4.0314,8.7573;-2.0756,-4.2852,8.4655;-1.6638,-1.9585,7.5261;-.5849,-.25,6.0542;.3058,-.2835,6.71;-.7319,.8162,5.7787;-.235,-1.0414,4.7791;-.03,-2.0869,5.0776;.7048,-.6414,4.3468;-1.3394,-1.0229,3.7239;-1.4885,.0162,3.3642;-2.2845,-1.3193,4.2129;-1.0999,-1.9422,2.5225;-1.9934,-1.9224,1.8693;-1.0068,-2.9843,2.8833;.1305,-1.5891,1.687;.0817,-.5412,1.3358;1.0608,-1.6993,2.2709;.2148,-2.2397,.7972;-.6208,-2.5504,7.8341;-1.7789,-.7442,6.8247;-2.7823,-.462,6.4936;-2.8793,-2.4504,7.9755;.4849,.176,11.6286;.4153,.4206,12.7047;1.4159,.6285,11.2387;.5898,-.9204,11.5362;-.7377,.666,10.8561;-1.6526,.208,11.2695;-.8555,1.7589,10.9939;-.6689,.3308,9.3658;-.468,-.7506,9.2452;.1872,.8509,8.8957;-1.9563,.7196,8.631;-3.0593,.6043,9.1623;-1.8113,1.4807,7.8221;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604300132972</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001849681924 0.000264202284 0.032494267229 0.008744012984</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020623676 -0.000212825 0.000064453 0.000105130 0.000378275 0.000806416 0.001456420 0.001796927 0.002215902 0.002578046 0.002759846 0.003470734 0.004053178 0.004441321 0.005874028 0.007029873 0.007247916 0.008225592 0.009608587 0.011733399 0.012694798 0.015542789 0.019111796 0.021729211 0.023039544 0.025089097 0.029556765 0.030523405 0.031651462 0.032159317 0.033384226 0.034900531 0.037246596 0.040170453 0.042093264 0.044683098 0.046491102 0.046980129 0.051928360 0.052682531 0.054091294 0.055057547 0.058030473 0.059291038 0.064604350 0.067518336 0.068806737 0.072398440 0.076686695 0.077035864 0.077560270 0.079410210 0.081856829 0.083323931 0.088937886 0.096092809 0.099673643 0.100082049 0.103952665 0.106570534 0.109918837 0.112848670 0.115932662 0.130514772 0.132848662 0.135404729 0.139194827 0.146479938 0.152583121 0.157446197 0.161989208 0.166016820 0.169367181 0.173465886 0.178827825 0.183420575 0.188774058 0.195939395 0.202031828 0.208584746 0.219083816 0.229066530 0.241065340 0.255508149 0.271647453 0.292851676 0.310257734 0.345013854 0.397738337 0.417260771 0.431026241 0.478084841 0.539439017 0.563140127 0.590584318 0.608228323 0.662786534 0.688081608 0.734827686 0.752533951 0.758057478 0.769025997 0.773554778 0.778590964 0.783306226 0.797500205 0.804502365 0.818809635 0.819768538 0.833744704 0.847124936 0.852614258 0.867291403 0.875395494 0.888753993 0.891961145 0.897400696 0.910530259 0.918500254 0.928543302 0.933527929 0.945828103 0.979969335 1.009585114 1.467959541 1.553981247</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">106</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51409411" y3="-2.19284318" z3="10.86970657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48096929" y3="-1.24367451" z3="10.30462352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.27002998" y3="-1.97633391" z3="11.92634118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54940767" y3="-2.58435606" z3="10.83647071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52916596" y3="-3.19646145" z3="10.27780941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52638167" y3="-4.13678599" z3="10.86612373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.5033192" y3="-2.79032751" z3="10.31969924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82733537" y3="-3.55808459" z3="8.82290663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82711764" y3="-4.02780708" z3="8.75462532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0698746" y3="-4.2765303" z3="8.4629259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6646982" y3="-1.94942502" z3="7.52278527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5886886" y3="-0.23885402" z3="6.05163937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30215476" y3="-0.26685011" z3="6.70678259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.73876916" y3="0.82520559" z3="5.77178467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23661144" y3="-1.03552514" z3="4.7807617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02572699" y3="-2.07806631" z3="5.08545418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.7005962" y3="-0.63309422" z3="4.34506263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34238127" y3="-1.02977219" z3="3.72673064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49892143" y3="0.00642411" z3="3.36171223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28506626" y3="-1.32990886" z3="4.21816114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09807254" y3="-1.95395905" z3="2.52990592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99301015" y3="-1.94447208" z3="1.87839916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.99651536" y3="-2.9933374" z3="2.89623687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12809561" y3="-1.59666579" z3="1.6896825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07099428" y3="-0.55138461" z3="1.332739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06045736" y3="-1.6969211" z3="2.27170175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21503429" y3="-2.25144315" z3="0.80341697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62027722" y3="-2.54037224" z3="7.82866876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78102191" y3="-0.7329052" z3="6.82486796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7849717" y3="-0.45071939" z3="6.49551615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87895835" y3="-2.44417004" z3="7.97169513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48225361" y3="0.15964115" z3="11.63046658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40425038" y3="0.38814511" z3="12.71009845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41241977" y3="0.62665465" z3="11.25263427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.59699057" y3="-0.93478581" z3="11.52212658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74004363" y3="0.64971996" z3="10.8588841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65389074" y3="0.18026893" z3="11.26076488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.8651288" y3="1.73972357" z3="11.01225467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66173499" y3="0.33619047" z3="9.36273024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.44789821" y3="-0.74137176" z3="9.22889947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18992325" y3="0.87222632" z3="8.90143553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95199343" y3="0.72437317" z3="8.63001149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05432794" y3="0.61014084" z3="9.1612431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80512808" y3="1.48788151" z3="7.82588672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5141,-2.1928,10.8697;-3.481,-1.2437,10.3046;-3.27,-1.9763,11.9263;-4.5494,-2.5844,10.8365;-2.5292,-3.1965,10.2778;-2.5264,-4.1368,10.8661;-1.5033,-2.7903,10.3197;-2.8273,-3.5581,8.8229;-3.8271,-4.0278,8.7546;-2.0699,-4.2765,8.4629;-1.6647,-1.9494,7.5228;-.5887,-.2389,6.0516;.3022,-.2669,6.7068;-.7388,.8252,5.7718;-.2366,-1.0355,4.7808;-.0257,-2.0781,5.0855;.7006,-.6331,4.3451;-1.3424,-1.0298,3.7267;-1.4989,.0064,3.3617;-2.2851,-1.3299,4.2182;-1.0981,-1.954,2.5299;-1.993,-1.9445,1.8784;-.9965,-2.9933,2.8962;.1281,-1.5967,1.6897;.071,-.5514,1.3327;1.0605,-1.6969,2.2717;.215,-2.2514,.8034;-.6203,-2.5404,7.8287;-1.781,-.7329,6.8249;-2.785,-.4507,6.4955;-2.879,-2.4442,7.9717;.4823,.1596,11.6305;.4043,.3881,12.7101;1.4124,.6267,11.2526;.597,-.9348,11.5221;-.74,.6497,10.8589;-1.6539,.1803,11.2608;-.8651,1.7397,11.0123;-.6617,.3362,9.3627;-.4479,-.7414,9.2289;.1899,.8722,8.9014;-1.952,.7244,8.63;-3.0543,.6101,9.1612;-1.8051,1.4879,7.8259;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604298679355</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001684093217 0.000323017981 0.032347427276 0.008764765892</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020621765 -0.000136954 0.000060112 0.000106425 0.000379683 0.000810583 0.001458665 0.001798467 0.002233055 0.002578994 0.002760272 0.003472233 0.004076416 0.004464945 0.005874942 0.007044804 0.007248203 0.008232640 0.009612909 0.011738055 0.012695335 0.015544421 0.019117810 0.021730956 0.023035890 0.025090153 0.029558247 0.030530712 0.031653007 0.032159507 0.033384454 0.034900565 0.037278693 0.040170204 0.042180560 0.044697922 0.046491960 0.046981921 0.051928256 0.052681794 0.054092961 0.055056117 0.058029802 0.059290596 0.064612724 0.067517880 0.068816889 0.072400057 0.076687771 0.077038898 0.077560087 0.079410744 0.081855899 0.083332077 0.088940170 0.096129144 0.099673756 0.100082124 0.103978003 0.106570098 0.109919460 0.112848650 0.115933240 0.130514777 0.132852949 0.135406018 0.139194306 0.146480458 0.152583171 0.157444956 0.161991142 0.166020156 0.169369470 0.173465029 0.178827111 0.183424876 0.188784164 0.195970229 0.202060892 0.208595374 0.219083481 0.229051437 0.241065716 0.255512827 0.271641710 0.292855020 0.310258012 0.345014780 0.397810817 0.417260515 0.431026444 0.478088796 0.539438986 0.563159025 0.590595831 0.608241598 0.662786624 0.688237412 0.734828261 0.752536584 0.758060334 0.769038355 0.773556700 0.778590901 0.783305107 0.797500127 0.804502784 0.818809616 0.819768449 0.833896124 0.847124730 0.852613907 0.867291516 0.875403561 0.888778287 0.891965011 0.897401289 0.910530994 0.918499727 0.928554900 0.933528248 0.945827341 0.979972084 1.009595547 1.468161390 1.554001588</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">107</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51696336" y3="-2.18824148" z3="10.86529703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48782602" y3="-1.23906653" z3="10.29943985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2750753" y3="-1.96995095" z3="11.9223064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.55038878" y3="-2.58505372" z3="10.83093598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52718004" y3="-3.18753678" z3="10.27482823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.521762" y3="-4.12739335" z3="10.86294991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50330342" y3="-2.77791684" z3="10.31840506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82211506" y3="-3.55023982" z3="8.81952108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82035368" y3="-4.02263305" z3="8.75007497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.06231931" y3="-4.266221" z3="8.45998262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66313184" y3="-1.93975279" z3="7.51853026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59263893" y3="-0.22435985" z3="6.04851604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29946198" y3="-0.24081889" z3="6.70345724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.75088682" y3="0.83699275" z3="5.76118541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23651798" y3="-1.02780564" z3="4.78290375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01843353" y3="-2.06672868" z3="5.09475968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69739603" y3="-0.62226051" z3="4.34310019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34400183" y3="-1.03673194" z3="3.73073609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50856508" y3="-0.00411944" z3="3.35906944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28359" y3="-1.34027622" z3="4.22595851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09508289" y3="-1.96703719" z3="2.53982629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99197821" y3="-1.97020508" z3="1.89083499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.9830522" y3="-3.00291678" z3="2.91335024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1254415" y3="-1.604149" z3="1.6938224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05649543" y3="-0.56224748" z3="1.32800162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06029603" y3="-1.68972771" z3="2.27485339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21720498" y3="-2.26580041" z3="0.81289619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61771425" y3="-2.53108095" z3="7.81921066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78214035" y3="-0.72090747" z3="6.82509696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78702866" y3="-0.439769" z3="6.49779004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87586799" y3="-2.43625373" z3="7.96879363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48256235" y3="0.14051929" z3="11.62790587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40324333" y3="0.35579768" z3="12.70977832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4103738" y3="0.6129221" z3="11.25647609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.60074149" y3="-0.95153072" z3="11.50783447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74109156" y3="0.636355" z3="10.86057052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65275342" y3="0.1583235" z3="11.25743873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87229128" y3="1.72358506" z3="11.02443729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.65997171" y3="0.33930295" z3="9.36298739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.44114744" y3="-0.73534159" z3="9.21772778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19050879" y3="0.88395456" z3="8.91088669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.94982719" y3="0.72817564" z3="8.62978936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05227189" y3="0.61203605" z3="9.16301897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80481548" y3="1.49549734" z3="7.82708726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.517,-2.1882,10.8653;-3.4878,-1.2391,10.2994;-3.2751,-1.97,11.9223;-4.5504,-2.5851,10.8309;-2.5272,-3.1875,10.2748;-2.5218,-4.1274,10.8629;-1.5033,-2.7779,10.3184;-2.8221,-3.5502,8.8195;-3.8204,-4.0226,8.7501;-2.0623,-4.2662,8.46;-1.6631,-1.9398,7.5185;-.5926,-.2244,6.0485;.2995,-.2408,6.7035;-.7509,.837,5.7612;-.2365,-1.0278,4.7829;-.0184,-2.0667,5.0948;.6974,-.6223,4.3431;-1.344,-1.0367,3.7307;-1.5086,-.0041,3.3591;-2.2836,-1.3403,4.226;-1.0951,-1.967,2.5398;-1.992,-1.9702,1.8908;-.9831,-3.0029,2.9134;.1254,-1.6041,1.6938;.0565,-.5622,1.328;1.0603,-1.6897,2.2749;.2172,-2.2658,.8129;-.6177,-2.5311,7.8192;-1.7821,-.7209,6.8251;-2.787,-.4398,6.4978;-2.8759,-2.4363,7.9688;.4826,.1405,11.6279;.4032,.3558,12.7098;1.4104,.6129,11.2565;.6007,-.9515,11.5078;-.7411,.6364,10.8606;-1.6528,.1583,11.2574;-.8723,1.7236,11.0244;-.66,.3393,9.363;-.4411,-.7353,9.2177;.1905,.884,8.9109;-1.9498,.7282,8.6298;-3.0523,.612,9.163;-1.8048,1.4955,7.8271;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604297062544</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001192466294 0.000240599287 0.038744590731 0.008669576650</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020625949 -0.000177452 0.000056082 0.000126517 0.000391222 0.000828726 0.001461201 0.001803186 0.002253027 0.002578241 0.002763607 0.003478471 0.004100227 0.004501269 0.005876361 0.007071149 0.007252669 0.008231058 0.009617666 0.011745725 0.012697037 0.015547714 0.019122565 0.021734831 0.023032630 0.025090278 0.029558441 0.030536525 0.031655998 0.032159670 0.033385584 0.034900620 0.037319768 0.040170229 0.042223021 0.044709757 0.046491978 0.046983406 0.051928172 0.052681000 0.054094729 0.055054740 0.058028907 0.059289976 0.064617462 0.067518402 0.068830763 0.072405268 0.076695935 0.077048001 0.077561609 0.079409832 0.081854937 0.083335447 0.088942878 0.096169952 0.099673910 0.100082687 0.103993189 0.106569828 0.109920521 0.112849035 0.115934015 0.130514839 0.132854311 0.135406181 0.139193778 0.146480463 0.152591529 0.157443984 0.161990179 0.166039855 0.169370414 0.173461999 0.178832163 0.183432742 0.188787220 0.195995197 0.202077100 0.208591344 0.219097317 0.229040523 0.241066308 0.255525481 0.271613272 0.292852442 0.310259925 0.345015050 0.397863988 0.417267009 0.431025721 0.478099285 0.539439868 0.563162684 0.590604181 0.608265406 0.662787425 0.688344831 0.734833000 0.752543709 0.758064989 0.769052812 0.773563424 0.778590420 0.783311570 0.797500920 0.804506248 0.818809556 0.819768746 0.833972043 0.847124280 0.852616783 0.867292978 0.875447807 0.888827295 0.891986945 0.897406127 0.910530866 0.918504825 0.928549800 0.933529295 0.945830245 0.979973132 1.009597512 1.468306649 1.554017605</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">108</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.52336123" y3="-2.18555734" z3="10.86298163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.4981899" y3="-1.23655009" z3="10.29728771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.28348039" y3="-1.96572776" z3="11.9199053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.55420967" y3="-2.58837308" z3="10.82818663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52653634" y3="-3.17848838" z3="10.27324782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51259349" y3="-4.11777182" z3="10.86300792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50562675" y3="-2.75990054" z3="10.31494323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.81975851" y3="-3.54517848" z3="8.81871855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.81650765" y3="-4.02107458" z3="8.74930867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.05717789" y3="-4.25915855" z3="8.46087692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66425665" y3="-1.93361306" z3="7.51670377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59500296" y3="-0.21760607" z3="6.04708692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29653215" y3="-0.23187959" z3="6.70175831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.75420891" y3="0.84238042" z3="5.75806361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23748589" y3="-1.02332868" z3="4.78375475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01566568" y3="-2.06036544" z3="5.09849974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69468407" y3="-0.61608337" z3="4.3418708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34583516" y3="-1.03973581" z3="3.7328698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51394177" y3="-0.00928408" z3="3.3572464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28391521" y3="-1.34411897" z3="4.23026086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09494445" y3="-1.97420288" z3="2.54556768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99197224" y3="-1.98261661" z3="1.89739713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.97973161" y3="-3.007888" z3="2.92312081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12375477" y3="-1.61165004" z3="1.69712816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05195281" y3="-0.57191449" z3="1.32775334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05874245" y3="-1.69257925" z3="2.27737682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21678179" y3="-2.27602291" z3="0.81876908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61778309" y3="-2.52357726" z3="7.81716171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78381636" y3="-0.7139159" z3="6.82473069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78900131" y3="-0.43237211" z3="6.49876718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87624043" y3="-2.43236047" z3="7.96624616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48343326" y3="0.12921898" z3="11.6271888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39463992" y3="0.32717762" z3="12.71240674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4069136" y3="0.62496608" z3="11.26786699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.61977057" y3="-0.95973555" z3="11.48987744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74389463" y3="0.61711962" z3="10.8622934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65078835" y3="0.11957891" z3="11.24705948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.89126993" y3="1.700564" z3="11.04457744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.65210668" y3="0.34568478" z3="9.35879901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.41821259" y3="-0.72428326" z3="9.19652327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19293571" y3="0.91003408" z3="8.91812378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.94486103" y3="0.73230987" z3="8.62780271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.04613481" y3="0.61744099" z3="9.16277142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79999129" y3="1.49982637" z3="7.8264843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5234,-2.1856,10.863;-3.4982,-1.2366,10.2973;-3.2835,-1.9657,11.9199;-4.5542,-2.5884,10.8282;-2.5265,-3.1785,10.2732;-2.5126,-4.1178,10.863;-1.5056,-2.7599,10.3149;-2.8198,-3.5452,8.8187;-3.8165,-4.0211,8.7493;-2.0572,-4.2592,8.4609;-1.6643,-1.9336,7.5167;-.595,-.2176,6.0471;.2965,-.2319,6.7018;-.7542,.8424,5.7581;-.2375,-1.0233,4.7838;-.0157,-2.0604,5.0985;.6947,-.6161,4.3419;-1.3458,-1.0397,3.7329;-1.5139,-.0093,3.3572;-2.2839,-1.3441,4.2303;-1.0949,-1.9742,2.5456;-1.992,-1.9826,1.8974;-.9797,-3.0079,2.9231;.1238,-1.6117,1.6971;.052,-.5719,1.3278;1.0587,-1.6926,2.2774;.2168,-2.276,.8188;-.6178,-2.5236,7.8172;-1.7838,-.7139,6.8247;-2.789,-.4324,6.4988;-2.8762,-2.4324,7.9662;.4834,.1292,11.6272;.3946,.3272,12.7124;1.4069,.625,11.2679;.6198,-.9597,11.4899;-.7439,.6171,10.8623;-1.6508,.1196,11.2471;-.8913,1.7006,11.0446;-.6521,.3457,9.3588;-.4182,-.7243,9.1965;.1929,.91,8.9181;-1.9449,.7323,8.6278;-3.0461,.6174,9.1628;-1.8,1.4998,7.8265;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604291702506</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002453161595 0.000392359309 0.026691305638 0.008737181513</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020620463 -0.000278803 0.000081220 0.000120527 0.000396795 0.000882198 0.001472246 0.001812509 0.002291825 0.002579015 0.002773863 0.003488527 0.004124767 0.004544322 0.005884012 0.007093667 0.007252953 0.008240181 0.009617519 0.011744456 0.012696374 0.015548033 0.019126155 0.021737416 0.023029408 0.025090666 0.029558923 0.030545706 0.031656731 0.032171215 0.033388977 0.034900416 0.037358569 0.040170536 0.042237258 0.044713540 0.046491916 0.046983716 0.051928851 0.052680511 0.054097809 0.055054691 0.058028854 0.059289246 0.064620689 0.067521775 0.068865483 0.072425418 0.076705294 0.077054173 0.077560834 0.079409381 0.081854061 0.083333362 0.088942453 0.096202169 0.099674130 0.100083958 0.104036099 0.106569138 0.109922040 0.112850014 0.115934395 0.130515142 0.132857695 0.135406164 0.139194346 0.146480378 0.152601783 0.157442554 0.162006040 0.166043188 0.169370962 0.173459997 0.178846781 0.183432779 0.188788104 0.196000699 0.202078816 0.208587677 0.219130142 0.229021504 0.241106576 0.255543566 0.271804632 0.292850226 0.310260109 0.345014937 0.397957685 0.417268542 0.431025239 0.478107607 0.539440823 0.563160815 0.590613998 0.608282619 0.662788462 0.688447095 0.734834767 0.752547573 0.758067401 0.769096526 0.773568937 0.778589943 0.783314942 0.797501500 0.804507672 0.818810262 0.819768652 0.834333878 0.847123698 0.852619346 0.867293952 0.875479126 0.888824306 0.891984466 0.897407256 0.910530904 0.918508300 0.928613397 0.933529682 0.945846943 0.979973506 1.009599843 1.468333864 1.554024553</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">109</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.53528953" y3="-2.18585687" z3="10.85696978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51259305" y3="-1.23548115" z3="10.29297986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.30230454" y3="-1.96648882" z3="11.91587789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.56374618" y3="-2.59521062" z3="10.81578557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5299136" y3="-3.17203033" z3="10.27040943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51255963" y3="-4.111019" z3="10.85977708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51190893" y3="-2.7475565" z3="10.31605141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.81595353" y3="-3.54020937" z3="8.81471577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8101071" y3="-4.02085649" z3="8.74189232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.04884343" y3="-4.25025424" z3="8.45901903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66422992" y3="-1.9253771" z3="7.5133006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.60115574" y3="-0.2029719" z3="6.04576678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29129318" y3="-0.20582311" z3="6.70087506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.76927419" y3="0.85466383" z3="5.75064578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23829934" y3="-1.01345315" z3="4.78677381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01016736" y3="-2.04752148" z3="5.10758158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.6913415" y3="-0.60298255" z3="4.34262546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34706695" y3="-1.04202282" z3="3.7361851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51982836" y3="-0.01489816" z3="3.35310292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28368478" y3="-1.34689781" z3="4.2361375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09252405" y3="-1.98420662" z3="2.55582041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99004474" y3="-2.00202213" z3="1.90786631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.97206059" y3="-3.01464047" z3="2.94158563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12429374" y3="-1.62189881" z3="1.70447813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.04613202" y3="-0.58541051" z3="1.32531207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0600478" y3="-1.69187867" z3="2.28608403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22126659" y3="-2.29401515" z3="0.83204936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61624536" y3="-2.51425955" z3="7.81058914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78709826" y3="-0.70408511" z3="6.82507327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7934244" y3="-0.42335188" z3="6.50193221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87482227" y3="-2.427342" z3="7.96271085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49469325" y3="0.1193355" z3="11.61956053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40811534" y3="0.3064765" z3="12.70598663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41061506" y3="0.62358073" z3="11.26198913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.64075402" y3="-0.96555808" z3="11.47403156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74019481" y3="0.60262822" z3="10.86264758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.64004619" y3="0.09288761" z3="11.24539493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.89919879" y3="1.68125744" z3="11.05339936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.6490191" y3="0.3467985" z3="9.35840659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.40980845" y3="-0.71908321" z3="9.18662938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19244442" y3="0.91847331" z3="8.92395595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.94352403" y3="0.73464469" z3="8.63086435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0439182" y3="0.61809691" z3="9.16802911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80050331" y3="1.50520773" z3="7.83150357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5353,-2.1859,10.857;-3.5126,-1.2355,10.293;-3.3023,-1.9665,11.9159;-4.5637,-2.5952,10.8158;-2.5299,-3.172,10.2704;-2.5126,-4.111,10.8598;-1.5119,-2.7476,10.3161;-2.816,-3.5402,8.8147;-3.8101,-4.0209,8.7419;-2.0488,-4.2503,8.459;-1.6642,-1.9254,7.5133;-.6012,-.203,6.0458;.2913,-.2058,6.7009;-.7693,.8547,5.7506;-.2383,-1.0135,4.7868;-.0102,-2.0475,5.1076;.6913,-.603,4.3426;-1.3471,-1.042,3.7362;-1.5198,-.0149,3.3531;-2.2837,-1.3469,4.2361;-1.0925,-1.9842,2.5558;-1.99,-2.002,1.9079;-.9721,-3.0146,2.9416;.1243,-1.6219,1.7045;.0461,-.5854,1.3253;1.06,-1.6919,2.2861;.2213,-2.294,.832;-.6162,-2.5143,7.8106;-1.7871,-.7041,6.8251;-2.7934,-.4234,6.5019;-2.8748,-2.4273,7.9627;.4947,.1193,11.6196;.4081,.3065,12.706;1.4106,.6236,11.262;.6408,-.9656,11.474;-.7402,.6026,10.8626;-1.64,.0929,11.2454;-.8992,1.6813,11.0534;-.649,.3468,9.3584;-.4098,-.7191,9.1866;.1924,.9185,8.924;-1.9435,.7346,8.6309;-3.0439,.6181,9.168;-1.8005,1.5052,7.8315;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604290819880</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001342016531 0.000290207229 0.041253652466 0.008708685728</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020627950 -0.000404165 0.000074392 0.000152469 0.000408456 0.000992930 0.001477835 0.001855191 0.002315610 0.002587947 0.002783733 0.003517451 0.004141414 0.004576514 0.005900691 0.007121819 0.007253060 0.008253993 0.009618653 0.011744759 0.012696442 0.015550002 0.019128995 0.021738558 0.023030331 0.025090707 0.029558643 0.030553769 0.031656939 0.032185520 0.033394179 0.034900207 0.037406589 0.040172228 0.042234297 0.044713078 0.046491915 0.046983895 0.051929805 0.052680771 0.054105258 0.055055102 0.058030804 0.059288557 0.064623014 0.067524535 0.068913835 0.072461537 0.076715714 0.077057838 0.077560490 0.079408902 0.081853271 0.083339837 0.088942001 0.096234539 0.099674407 0.100085561 0.104069756 0.106569184 0.109925254 0.112850704 0.115935720 0.130515380 0.132857060 0.135406650 0.139194755 0.146480269 0.152609294 0.157440587 0.162003313 0.166066668 0.169369141 0.173461557 0.178901555 0.183433368 0.188810672 0.195999646 0.202079393 0.208586015 0.219162228 0.229002119 0.241134314 0.255547503 0.271965926 0.292850271 0.310260558 0.345017402 0.398017509 0.417276916 0.431024143 0.478120494 0.539441829 0.563168634 0.590625317 0.608308613 0.662790485 0.688641404 0.734849363 0.752558957 0.758068023 0.769174940 0.773576988 0.778592648 0.783327492 0.797501823 0.804514189 0.818810392 0.819769711 0.834421107 0.847123255 0.852619520 0.867295407 0.875531286 0.888823562 0.891984145 0.897408240 0.910530676 0.918523917 0.928802432 0.933535847 0.945894910 0.979973792 1.009632219 1.468334123 1.554023721</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">110</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.54377532" y3="-2.18556914" z3="10.85375203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52253074" y3="-1.23532342" z3="10.29012229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.31365577" y3="-1.96552164" z3="11.91276181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.57023652" y3="-2.59830447" z3="10.81060583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53337681" y3="-3.16751332" z3="10.26944649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51144553" y3="-4.10574391" z3="10.85992203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51782863" y3="-2.7372466" z3="10.31542042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.81589589" y3="-3.53847906" z3="8.8140802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.80842814" y3="-4.02225954" z3="8.73988091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0457911" y3="-4.24634277" z3="8.46047965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66642424" y3="-1.92171675" z3="7.51383565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.60376623" y3="-0.19895257" z3="6.04755172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.2875377" y3="-0.20229974" z3="6.70263655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.77088962" y3="0.85795682" z3="5.75238291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24028525" y3="-1.0101387" z3="4.78983096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01244954" y3="-2.0433942" z3="5.11182905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.68944045" y3="-0.60023106" z3="4.34560079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3480757" y3="-1.04037513" z3="3.73908811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51934453" y3="-0.01445344" z3="3.35310435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28520869" y3="-1.34281498" z3="4.23934267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09336171" y3="-1.98613129" z3="2.56183683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98912612" y3="-2.00338629" z3="1.91252954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.97631977" y3="-3.01528999" z3="2.95043472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12595804" y3="-1.62949163" z3="1.71196083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05156045" y3="-0.59442882" z3="1.33056268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05956267" y3="-1.70059579" z3="2.29542187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22347964" y3="-2.30363346" z3="0.84154748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61751725" y3="-2.50877265" z3="7.81179089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78985449" y3="-0.69965124" z3="6.82677018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79620429" y3="-0.41978576" z3="6.50307738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87647625" y3="-2.42642644" z3="7.96094275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50289598" y3="0.11581024" z3="11.61258449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41099242" y3="0.28577897" z3="12.70283897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41010898" y3="0.64763063" z3="11.26295988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.67210607" y3="-0.96574786" z3="11.44986683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74021067" y3="0.58587522" z3="10.86117036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.63128121" y3="0.05163395" z3="11.23563129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.9206414" y3="1.65993742" z3="11.0695449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.64231145" y3="0.35425593" z3="9.35200115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.38776432" y3="-0.70711108" z3="9.16259926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1931053" y3="0.94664043" z3="8.92811298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.94130974" y3="0.73613627" z3="8.62800237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03941617" y3="0.6172497" z3="9.17041525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80390638" y3="1.50761445" z3="7.82809556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5438,-2.1856,10.8538;-3.5225,-1.2353,10.2901;-3.3137,-1.9655,11.9128;-4.5702,-2.5983,10.8106;-2.5334,-3.1675,10.2694;-2.5114,-4.1057,10.8599;-1.5178,-2.7372,10.3154;-2.8159,-3.5385,8.8141;-3.8084,-4.0223,8.7399;-2.0458,-4.2463,8.4605;-1.6664,-1.9217,7.5138;-.6038,-.199,6.0476;.2875,-.2023,6.7026;-.7709,.858,5.7524;-.2403,-1.0101,4.7898;-.0124,-2.0434,5.1118;.6894,-.6002,4.3456;-1.3481,-1.0404,3.7391;-1.5193,-.0145,3.3531;-2.2852,-1.3428,4.2393;-1.0934,-1.9861,2.5618;-1.9891,-2.0034,1.9125;-.9763,-3.0153,2.9504;.126,-1.6295,1.712;.0516,-.5944,1.3306;1.0596,-1.7006,2.2954;.2235,-2.3036,.8415;-.6175,-2.5088,7.8118;-1.7899,-.6997,6.8268;-2.7962,-.4198,6.5031;-2.8765,-2.4264,7.9609;.5029,.1158,11.6126;.411,.2858,12.7028;1.4101,.6476,11.263;.6721,-.9657,11.4499;-.7402,.5859,10.8612;-1.6313,.0516,11.2356;-.9206,1.6599,11.0695;-.6423,.3543,9.352;-.3878,-.7071,9.1626;.1931,.9466,8.9281;-1.9413,.7361,8.628;-3.0394,.6172,9.1704;-1.8039,1.5076,7.8281;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604280317699</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003153359860 0.000517812164 0.027797816210 0.008682510880</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020593268 -0.000394556 0.000071733 0.000171311 0.000404029 0.001038974 0.001519617 0.001899658 0.002338990 0.002619601 0.002815717 0.003547951 0.004155688 0.004583911 0.005933138 0.007128687 0.007255552 0.008283561 0.009622953 0.011745461 0.012699275 0.015548812 0.019127872 0.021738968 0.023031870 0.025091747 0.029559108 0.030557640 0.031657651 0.032218764 0.033401475 0.034900812 0.037441046 0.040172921 0.042246465 0.044713244 0.046492126 0.046984533 0.051930668 0.052681727 0.054114939 0.055059197 0.058034396 0.059288067 0.064622778 0.067528436 0.068962030 0.072477353 0.076722961 0.077056626 0.077562557 0.079408899 0.081852813 0.083342995 0.088941146 0.096225156 0.099674478 0.100086069 0.104102064 0.106568958 0.109926999 0.112852507 0.115935465 0.130517422 0.132864251 0.135406906 0.139198209 0.146481462 0.152611152 0.157441132 0.162008230 0.166064332 0.169367705 0.173469121 0.178928096 0.183434671 0.188880569 0.196010130 0.202086344 0.208589670 0.219265393 0.228998225 0.241229070 0.255551648 0.272797500 0.292865372 0.310260461 0.345019306 0.398146031 0.417277385 0.431023628 0.478131799 0.539441844 0.563211863 0.590626887 0.608314496 0.662793374 0.688709116 0.734861044 0.752561350 0.758067689 0.769266603 0.773580788 0.778597865 0.783341782 0.797501830 0.804515981 0.818811096 0.819769722 0.834787395 0.847123730 0.852627307 0.867296022 0.875532755 0.888923797 0.892016338 0.897408959 0.910531055 0.918537701 0.928977334 0.933549755 0.945919380 0.979974054 1.009756608 1.468361299 1.554030784</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">111</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.55889691" y3="-2.18650269" z3="10.84752437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53820044" y3="-1.23461288" z3="10.28637426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.33982901" y3="-1.96744816" z3="11.90953521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58251656" y3="-2.60681285" z3="10.79403127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.536037" y3="-3.16007067" z3="10.26910847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50717037" y3="-4.09755547" z3="10.86122022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52437105" y3="-2.7193744" z3="10.31871269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.80930803" y3="-3.53593435" z3="8.81299193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.79807717" y3="-4.02708545" z3="8.73500118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.03238981" y3="-4.23842088" z3="8.46338879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66596135" y3="-1.91553775" z3="7.51222044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.61072118" y3="-0.18629442" z3="6.0470135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.28208719" y3="-0.18007166" z3="6.70148196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.78588823" y3="0.86871933" z3="5.74742573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24350064" y3="-1.00050454" z3="4.79213666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01040078" y3="-2.03189299" z3="5.11784456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.68449142" y3="-0.58756772" z3="4.34682221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35113973" y3="-1.03897383" z3="3.74069679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52384477" y3="-0.01545624" z3="3.34806228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28837827" y3="-1.33991775" z3="4.24193124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.0940858" y3="-1.99183776" z3="2.56949607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98853966" y3="-2.01238957" z3="1.91761151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.97867111" y3="-3.01911205" z3="2.96472387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12818196" y3="-1.64092409" z3="1.72111292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05603656" y3="-0.60740173" z3="1.33366923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06054836" y3="-1.71005263" z3="2.30766544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22698283" y3="-2.31997656" z3="0.85455163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61506074" y3="-2.50020846" z3="7.80695993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79327422" y3="-0.69060716" z3="6.82991546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.80098549" y3="-0.41392847" z3="6.50740682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87390924" y3="-2.4249185" z3="7.95845064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.51342642" y3="0.10807019" z3="11.60544139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.4213466" y3="0.26867269" z3="12.69537618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41348236" y3="0.64953415" z3="11.2604539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.6928264" y3="-0.96768242" z3="11.43573527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73592043" y3="0.56933758" z3="10.85931143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.61974019" y3="0.02383614" z3="11.22851527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.92819026" y3="1.63733521" z3="11.07662916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.63686545" y3="0.35451233" z3="9.34899589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.37510083" y3="-0.7015468" z3="9.15124588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1932816" y3="0.9550267" z3="8.93159138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.93822659" y3="0.7355471" z3="8.62776491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03485297" y3="0.61817033" z3="9.17365856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80099918" y3="1.51124644" z3="7.83256636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5589,-2.1865,10.8475;-3.5382,-1.2346,10.2864;-3.3398,-1.9674,11.9095;-4.5825,-2.6068,10.794;-2.536,-3.1601,10.2691;-2.5072,-4.0976,10.8612;-1.5244,-2.7194,10.3187;-2.8093,-3.5359,8.813;-3.7981,-4.0271,8.735;-2.0324,-4.2384,8.4634;-1.666,-1.9155,7.5122;-.6107,-.1863,6.047;.2821,-.1801,6.7015;-.7859,.8687,5.7474;-.2435,-1.0005,4.7921;-.0104,-2.0319,5.1178;.6845,-.5876,4.3468;-1.3511,-1.039,3.7407;-1.5238,-.0155,3.3481;-2.2884,-1.3399,4.2419;-1.0941,-1.9918,2.5695;-1.9885,-2.0124,1.9176;-.9787,-3.0191,2.9647;.1282,-1.6409,1.7211;.056,-.6074,1.3337;1.0605,-1.7101,2.3077;.227,-2.32,.8546;-.6151,-2.5002,7.807;-1.7933,-.6906,6.8299;-2.801,-.4139,6.5074;-2.8739,-2.4249,7.9585;.5134,.1081,11.6054;.4213,.2687,12.6954;1.4135,.6495,11.2605;.6928,-.9677,11.4357;-.7359,.5693,10.8593;-1.6197,.0238,11.2285;-.9282,1.6373,11.0766;-.6369,.3545,9.349;-.3751,-.7015,9.1512;.1933,.955,8.9316;-1.9382,.7355,8.6278;-3.0349,.6182,9.1737;-1.801,1.5112,7.8326;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604281113652</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001420745450 0.000325952989 0.039641025954 0.008699960041</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020575552 -0.000541623 0.000090956 0.000182740 0.000401096 0.001080048 0.001546414 0.001964129 0.002354969 0.002644369 0.002861969 0.003592441 0.004160487 0.004584513 0.005978525 0.007129503 0.007285933 0.008326998 0.009629320 0.011757700 0.012710070 0.015552085 0.019127086 0.021744256 0.023032376 0.025092442 0.029560400 0.030558633 0.031670549 0.032275051 0.033405274 0.034902351 0.037473314 0.040172794 0.042273141 0.044712464 0.046493875 0.046984729 0.051930403 0.052681752 0.054125871 0.055069239 0.058034798 0.059292867 0.064622490 0.067528733 0.068979258 0.072483696 0.076721590 0.077057958 0.077564683 0.079407978 0.081852076 0.083354452 0.088942428 0.096222327 0.099674500 0.100086418 0.104108476 0.106570824 0.109929135 0.112853110 0.115935281 0.130520029 0.132867478 0.135406836 0.139203156 0.146481290 0.152617711 0.157448021 0.162015972 0.166064647 0.169371487 0.173476669 0.178977540 0.183444286 0.188979110 0.196058929 0.202093810 0.208627892 0.219303348 0.228989207 0.241256889 0.255554119 0.273241880 0.292882987 0.310260470 0.345040568 0.398183923 0.417277634 0.431022057 0.478135607 0.539445357 0.563346734 0.590627394 0.608314387 0.662799197 0.688856552 0.734889745 0.752561285 0.758070127 0.769324699 0.773581217 0.778610747 0.783342186 0.797505018 0.804515788 0.818811353 0.819771226 0.834794368 0.847122946 0.852627422 0.867297430 0.875559408 0.888964054 0.892015293 0.897415904 0.910531318 0.918548517 0.929189693 0.933582685 0.945938684 0.979974409 1.009901086 1.468439859 1.554044635</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">112</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.56564106" y3="-2.18149126" z3="10.84272366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54723015" y3="-1.2311243" z3="10.27884171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.35010283" y3="-1.95883925" z3="11.90418784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58684912" y3="-2.60583704" z3="10.78770076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53779783" y3="-3.1521203" z3="10.27057132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50818866" y3="-4.08728636" z3="10.86471822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52876341" y3="-2.70825169" z3="10.32316801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.80398977" y3="-3.53246705" z3="8.81471503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.79035895" y3="-4.02736739" z3="8.73418535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.02315907" y3="-4.23228177" z3="8.46917721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66297931" y3="-1.91137761" z3="7.51343984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.61108615" y3="-0.18065193" z3="6.04813314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.28221762" y3="-0.1728921" z3="6.70086657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.78707429" y3="0.87330828" z3="5.74728511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24521707" y3="-0.9970684" z3="4.79458241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01138739" y3="-2.02744354" z3="5.12203649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.68196439" y3="-0.58465184" z3="4.34737105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3533075" y3="-1.03858182" z3="3.74406196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52635449" y3="-0.01628833" z3="3.3489567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29035509" y3="-1.33864345" z3="4.24619305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09652662" y3="-1.99434549" z3="2.57537108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99029822" y3="-2.01480977" z3="1.92288762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.98328421" y3="-3.02081538" z3="2.97280858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1270783" y3="-1.64744849" z3="1.72721079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05774243" y3="-0.61449868" z3="1.33803105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05884572" y3="-1.71786811" z3="2.31440302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22487366" y3="-2.32819414" z3="0.86196319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61105419" y3="-2.49446429" z3="7.8066298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79203713" y3="-0.6840882" z3="6.8343699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.80020178" y3="-0.41099224" z3="6.51007767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.86975372" y3="-2.42344787" z3="7.95770755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.51560698" y3="0.09906963" z3="11.59972847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41793361" y3="0.23914624" z3="12.6940742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40720926" y3="0.66405236" z3="11.26478764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.71664248" y3="-0.97343936" z3="11.4108472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73915297" y3="0.5523156" z3="10.85698459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6150463" y3="-0.01580489" z3="11.21635413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.95127" y3="1.61458127" z3="11.09088627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.63105958" y3="0.36095961" z3="9.34375194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.35217531" y3="-0.6898268" z3="9.13062203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1937981" y3="0.98175514" z3="8.93936807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9356852" y3="0.7332796" z3="8.62135955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03147851" y3="0.611941" z3="9.17100451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80340845" y3="1.5136877" z3="7.82822857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5656,-2.1815,10.8427;-3.5472,-1.2311,10.2788;-3.3501,-1.9588,11.9042;-4.5868,-2.6058,10.7877;-2.5378,-3.1521,10.2706;-2.5082,-4.0873,10.8647;-1.5288,-2.7083,10.3232;-2.804,-3.5325,8.8147;-3.7904,-4.0274,8.7342;-2.0232,-4.2323,8.4692;-1.663,-1.9114,7.5134;-.6111,-.1807,6.0481;.2822,-.1729,6.7009;-.7871,.8733,5.7473;-.2452,-.9971,4.7946;-.0114,-2.0274,5.122;.682,-.5847,4.3474;-1.3533,-1.0386,3.7441;-1.5264,-.0163,3.349;-2.2904,-1.3386,4.2462;-1.0965,-1.9943,2.5754;-1.9903,-2.0148,1.9229;-.9833,-3.0208,2.9728;.1271,-1.6474,1.7272;.0577,-.6145,1.338;1.0588,-1.7179,2.3144;.2249,-2.3282,.862;-.6111,-2.4945,7.8066;-1.792,-.6841,6.8344;-2.8002,-.411,6.5101;-2.8698,-2.4234,7.9577;.5156,.0991,11.5997;.4179,.2391,12.6941;1.4072,.6641,11.2648;.7166,-.9734,11.4108;-.7392,.5523,10.857;-1.615,-.0158,11.2164;-.9513,1.6146,11.0909;-.6311,.361,9.3438;-.3522,-.6898,9.1306;.1938,.9818,8.9394;-1.9357,.7333,8.6214;-3.0315,.6119,9.171;-1.8034,1.5137,7.8282;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604270976889</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002924839419 0.000519197569 0.031895860211 0.008710354080</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020596775 -0.000460868 0.000118400 0.000217019 0.000399665 0.001067555 0.001572818 0.001983629 0.002362561 0.002647619 0.002923281 0.003618522 0.004167426 0.004594035 0.006012836 0.007129690 0.007320238 0.008371497 0.009635381 0.011768179 0.012723749 0.015559941 0.019128979 0.021759130 0.023028961 0.025093469 0.029561561 0.030558073 0.031692467 0.032355118 0.033409843 0.034903998 0.037509061 0.040172669 0.042313988 0.044711957 0.046495176 0.046986662 0.051930249 0.052682418 0.054137152 0.055083419 0.058034610 0.059295162 0.064622011 0.067528395 0.068989243 0.072480621 0.076724148 0.077068357 0.077569765 0.079408984 0.081851326 0.083370793 0.088941028 0.096229391 0.099674634 0.100086389 0.104106113 0.106574905 0.109929821 0.112853062 0.115938156 0.130523521 0.132887079 0.135407095 0.139205228 0.146481246 0.152668286 0.157461755 0.162019482 0.166066021 0.169375875 0.173482004 0.178981668 0.183460351 0.189069597 0.196107420 0.202102036 0.208636685 0.219342537 0.229022371 0.241285669 0.255554419 0.274072260 0.292903967 0.310260179 0.345048687 0.398292464 0.417278659 0.431022059 0.478137219 0.539448055 0.563552797 0.590630476 0.608319079 0.662808317 0.688958384 0.734904393 0.752562126 0.758084538 0.769435897 0.773581261 0.778620669 0.783342348 0.797513388 0.804516104 0.818811306 0.819771183 0.834895855 0.847123828 0.852628021 0.867298235 0.875619479 0.889170799 0.892103743 0.897421087 0.910533351 0.918549935 0.929411071 0.933627891 0.945942368 0.979977145 1.010068745 1.468483052 1.554062110</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">113</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.57161563" y3="-2.17370849" z3="10.83843276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55332801" y3="-1.22419531" z3="10.27333601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.36553139" y3="-1.9476823" z3="11.90151997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.59009683" y3="-2.60485817" z3="10.77635944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53246677" y3="-3.13892086" z3="10.27488221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49510899" y3="-4.07184484" z3="10.87407976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52681981" y3="-2.68422112" z3="10.32877245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.79079998" y3="-3.52847852" z3="8.81982767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.77339045" y3="-4.03117629" z3="8.73748604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0031168" y3="-4.22356186" z3="8.47961601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65722936" y3="-1.90641333" z3="7.5138997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.61318251" y3="-0.17286556" z3="6.04587608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.28207747" y3="-0.15864828" z3="6.69646324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.79434993" y3="0.87934107" z3="5.74130846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2475719" y3="-0.99256063" z3="4.79431894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.00830893" y3="-2.02112873" z3="5.12401873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67692403" y3="-0.57758557" z3="4.34371446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35766067" y3="-1.04156946" z3="3.74592991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53542943" y3="-0.02104533" z3="3.34811486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29281552" y3="-1.34387789" z3="4.25028973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09913998" y3="-1.99950248" z3="2.57920707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99329638" y3="-2.02324591" z3="1.92712576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.98343913" y3="-3.02502552" z3="2.97871711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12344879" y3="-1.6518333" z3="1.72977906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05316331" y3="-0.61895787" z3="1.34070414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05596027" y3="-1.72178486" z3="2.31592262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22076759" y3="-2.33251097" z3="0.86450755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.60321696" y3="-2.48675903" z3="7.8034617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79039361" y3="-0.6757476" z3="6.83888267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79977377" y3="-0.4086526" z3="6.51310711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8613865" y3="-2.42243173" z3="7.95845674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50744822" y3="0.07816062" z3="11.60074294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.4031234" y3="0.20725038" z3="12.69353013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39960714" y3="0.64764317" z3="11.27985485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.70897681" y3="-0.98858979" z3="11.40256794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7430182" y3="0.53529092" z3="10.85462735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.61848117" y3="-0.03713695" z3="11.20059322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.95889348" y3="1.59253123" z3="11.10023886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.62621134" y3="0.36354621" z3="9.33900795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.33860062" y3="-0.68167541" z3="9.11780588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19480953" y3="0.99360711" z3="8.94554898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9300165" y3="0.7337534" z3="8.61204956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.02631167" y3="0.61799101" z3="9.16307818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79366607" y3="1.51846875" z3="7.82460903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5716,-2.1737,10.8384;-3.5533,-1.2242,10.2733;-3.3655,-1.9477,11.9015;-4.5901,-2.6049,10.7764;-2.5325,-3.1389,10.2749;-2.4951,-4.0718,10.8741;-1.5268,-2.6842,10.3288;-2.7908,-3.5285,8.8198;-3.7734,-4.0312,8.7375;-2.0031,-4.2236,8.4796;-1.6572,-1.9064,7.5139;-.6132,-.1729,6.0459;.2821,-.1586,6.6965;-.7943,.8793,5.7413;-.2476,-.9926,4.7943;-.0083,-2.0211,5.124;.6769,-.5776,4.3437;-1.3577,-1.0416,3.7459;-1.5354,-.021,3.3481;-2.2928,-1.3439,4.2503;-1.0991,-1.9995,2.5792;-1.9933,-2.0232,1.9271;-.9834,-3.025,2.9787;.1234,-1.6518,1.7298;.0532,-.619,1.3407;1.056,-1.7218,2.3159;.2208,-2.3325,.8645;-.6032,-2.4868,7.8035;-1.7904,-.6757,6.8389;-2.7998,-.4087,6.5131;-2.8614,-2.4224,7.9585;.5074,.0782,11.6007;.4031,.2073,12.6935;1.3996,.6476,11.2799;.709,-.9886,11.4026;-.743,.5353,10.8546;-1.6185,-.0371,11.2006;-.9589,1.5925,11.1002;-.6262,.3635,9.339;-.3386,-.6817,9.1178;.1948,.9936,8.9455;-1.93,.7338,8.612;-3.0263,.618,9.1631;-1.7937,1.5185,7.8246;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604272080907</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002068491025 0.000373055085 0.034777152727 0.008702847689</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020591555 -0.000485581 0.000079369 0.000222748 0.000402470 0.001070448 0.001584171 0.001991532 0.002368189 0.002647778 0.002966436 0.003658322 0.004164898 0.004617436 0.006035195 0.007131525 0.007363866 0.008411905 0.009639177 0.011790188 0.012744451 0.015579320 0.019132600 0.021770487 0.023026022 0.025092734 0.029561984 0.030558631 0.031733461 0.032544213 0.033416210 0.034905582 0.037540451 0.040173255 0.042318247 0.044711590 0.046496003 0.046987659 0.051929833 0.052681914 0.054141881 0.055094945 0.058033953 0.059305090 0.064627368 0.067529048 0.068990195 0.072502806 0.076737923 0.077080855 0.077571489 0.079407241 0.081850758 0.083364936 0.088940401 0.096268565 0.099675717 0.100086554 0.104094406 0.106577879 0.109929819 0.112853005 0.115938316 0.130526860 0.132914236 0.135409792 0.139208860 0.146481299 0.152723700 0.157476750 0.162034500 0.166085979 0.169387537 0.173482119 0.178982501 0.183462402 0.189115861 0.196154663 0.202111115 0.208653065 0.219367517 0.229044380 0.241323543 0.255599796 0.274383467 0.292925925 0.310260021 0.345071644 0.398334980 0.417282750 0.431022331 0.478136906 0.539450799 0.564057730 0.590636319 0.608331571 0.662815749 0.688977943 0.734917799 0.752571960 0.758096180 0.769431056 0.773587288 0.778641132 0.783342467 0.797520320 0.804518626 0.818811269 0.819771389 0.834895952 0.847123145 0.852630038 0.867303649 0.875928328 0.889226555 0.892100225 0.897434204 0.910537595 0.918549867 0.929485789 0.933654621 0.945951495 0.979988698 1.010214849 1.468533652 1.554066708</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">114</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.57151858" y3="-2.1606609" z3="10.83446124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.553119" y3="-1.2136516" z3="10.26448836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37008998" y3="-1.92970263" z3="11.8970285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58859169" y3="-2.59371638" z3="10.77029101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52973629" y3="-3.12674944" z3="10.28016182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49568613" y3="-4.05578142" z3="10.88334257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52549225" y3="-2.67276557" z3="10.33682181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.78115659" y3="-3.52304533" z3="8.82599844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.76162751" y3="-4.02868751" z3="8.74252531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.99057523" y3="-4.21664602" z3="8.4909236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64912262" y3="-1.90423551" z3="7.51485145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.6097914" y3="-0.16997965" z3="6.04343389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.28752157" y3="-0.15275124" z3="6.69100424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.79361248" y3="0.88121622" z3="5.73738043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24659475" y3="-0.99169964" z3="4.79240727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.00190769" y3="-2.01871788" z3="5.1235005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.674565" y3="-0.57412901" z3="4.3372551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.36047436" y3="-1.04801934" z3="3.74783867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.54623882" y3="-0.02864365" z3="3.35024485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29218353" y3="-1.35613781" z3="4.2552296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10048544" y3="-2.00484724" z3="2.58035354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99750868" y3="-2.03476644" z3="1.93196369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.97633735" y3="-3.029696" z3="2.9796163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11598812" y3="-1.64963489" z3="1.72520355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.03776648" y3="-0.61687153" z3="1.33624986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05215419" y3="-1.71432551" z3="2.30672653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21259873" y3="-2.32983835" z3="0.85926314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.59466739" y3="-2.48382765" z3="7.80234963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78406155" y3="-0.67235394" z3="6.84157897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79421043" y3="-0.40849973" z3="6.51526372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.85217762" y3="-2.4207374" z3="7.96008774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4964518" y3="0.06216005" z3="11.60354187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.38202648" y3="0.17247323" z3="12.69966811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38769731" y3="0.64265606" z3="11.29672541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.71036852" y3="-1.00388653" z3="11.38876324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7522633" y3="0.52247947" z3="10.85474516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.62702254" y3="-0.0610046" z3="11.18865046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.97800983" y3="1.57567105" z3="11.11100405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.62229461" y3="0.36650203" z3="9.34011334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.32158265" y3="-0.6743599" z3="9.11105457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19689461" y3="1.00861018" z3="8.95986368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9248154" y3="0.73177263" z3="8.60557772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.02316892" y3="0.61711692" z3="9.15496266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78627" y3="1.51909977" z3="7.81985726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5715,-2.1607,10.8345;-3.5531,-1.2137,10.2645;-3.3701,-1.9297,11.897;-4.5886,-2.5937,10.7703;-2.5297,-3.1267,10.2802;-2.4957,-4.0558,10.8833;-1.5255,-2.6728,10.3368;-2.7812,-3.523,8.826;-3.7616,-4.0287,8.7425;-1.9906,-4.2166,8.4909;-1.6491,-1.9042,7.5149;-.6098,-.17,6.0434;.2875,-.1528,6.691;-.7936,.8812,5.7374;-.2466,-.9917,4.7924;-.0019,-2.0187,5.1235;.6746,-.5741,4.3373;-1.3605,-1.048,3.7478;-1.5462,-.0286,3.3502;-2.2922,-1.3561,4.2552;-1.1005,-2.0048,2.5804;-1.9975,-2.0348,1.932;-.9763,-3.0297,2.9796;.116,-1.6496,1.7252;.0378,-.6169,1.3362;1.0522,-1.7143,2.3067;.2126,-2.3298,.8593;-.5947,-2.4838,7.8023;-1.7841,-.6724,6.8416;-2.7942,-.4085,6.5153;-2.8522,-2.4207,7.9601;.4965,.0622,11.6035;.382,.1725,12.6997;1.3877,.6427,11.2967;.7104,-1.0039,11.3888;-.7523,.5225,10.8547;-1.627,-.061,11.1887;-.978,1.5757,11.111;-.6223,.3665,9.3401;-.3216,-.6744,9.1111;.1969,1.0086,8.9599;-1.9248,.7318,8.6056;-3.0232,.6171,9.155;-1.7863,1.5191,7.8199;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604263420092</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002502595624 0.000526500093 0.022983483943 0.008717064032</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020637627 -0.000516204 0.000061776 0.000222650 0.000402614 0.001080195 0.001583326 0.001992691 0.002372783 0.002677090 0.002975651 0.003706047 0.004173228 0.004628465 0.006048796 0.007131863 0.007409565 0.008457857 0.009643491 0.011799075 0.012746961 0.015588848 0.019133558 0.021777799 0.023027681 0.025093565 0.029561435 0.030560115 0.031766642 0.032897308 0.033439122 0.034905687 0.037629673 0.040175251 0.042327946 0.044711394 0.046496013 0.046987952 0.051929725 0.052682190 0.054147065 0.055121138 0.058035486 0.059305987 0.064624103 0.067529632 0.068991236 0.072501568 0.076755830 0.077085421 0.077572646 0.079405471 0.081850209 0.083360815 0.088939945 0.096280060 0.099676606 0.100086805 0.104089696 0.106586206 0.109929821 0.112853366 0.115940460 0.130527069 0.132927596 0.135412911 0.139208068 0.146482741 0.152936298 0.157503668 0.162101796 0.166090159 0.169413472 0.173482288 0.178980810 0.183482684 0.189163029 0.196177472 0.202114476 0.208655238 0.219363696 0.229092287 0.241368014 0.255656828 0.274732571 0.292927561 0.310260343 0.345082013 0.398424586 0.417289690 0.431021749 0.478137025 0.539451741 0.564631207 0.590648709 0.608355492 0.662830075 0.689219919 0.734919242 0.752579151 0.758117188 0.769465697 0.773589338 0.778646981 0.783360757 0.797531686 0.804519515 0.818811268 0.819772324 0.834895050 0.847129296 0.852635506 0.867307512 0.876213900 0.889298797 0.892138013 0.897451239 0.910539402 0.918553069 0.929717182 0.933713908 0.946008190 0.980009890 1.010288735 1.468535782 1.554066735</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">115</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.57361294" y3="-2.15095146" z3="10.83396657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55742428" y3="-1.20698049" z3="10.25879382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37445521" y3="-1.91241653" z3="11.89539592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58909462" y3="-2.58896618" z3="10.77083083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52530888" y3="-3.11592659" z3="10.28701606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.48642345" y3="-4.04272109" z3="10.89560616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52252239" y3="-2.65467152" z3="10.34301817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.77230097" y3="-3.52069998" z3="8.83436071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.75108009" y3="-4.03023299" z3="8.75066413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.97820571" y3="-4.21322582" z3="8.5044338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64199024" y3="-1.90432456" z3="7.51871954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.60525264" y3="-0.17437504" z3="6.04102631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29256575" y3="-0.1560447" z3="6.68783973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.789178" y3="0.87617004" z3="5.73285911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24448318" y3="-0.99851166" z3="4.79076968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.00137489" y3="-2.02449848" z3="5.1225095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67485863" y3="-0.5814241" z3="4.33217843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.36081888" y3="-1.05701544" z3="3.75004139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.55302758" y3="-0.03761748" z3="3.35703998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28895347" y3="-1.37132271" z3="4.25991759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09986428" y3="-2.00762912" z3="2.57803016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00082925" y3="-2.04338907" z3="1.93597475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.96379412" y3="-3.03252024" z3="2.9729205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.10732" y3="-1.638129" z3="1.71544609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.01600169" y3="-0.60517009" z3="1.33010728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04815308" y3="-1.6950021" z3="2.29022387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20489946" y3="-2.31480331" z3="0.8469739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.58654383" y3="-2.48100318" z3="7.80907625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77860905" y3="-0.67397277" z3="6.8419866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78897554" y3="-0.41313434" z3="6.51424333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.84472423" y3="-2.42203745" z3="7.96359005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4830844" y3="0.04409339" z3="11.60909091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.36348951" y3="0.14948974" z3="12.7019932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.37847035" y3="0.62151255" z3="11.3128866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.68910685" y3="-1.01723989" z3="11.39265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75849538" y3="0.51442419" z3="10.85503689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.63632982" y3="-0.06717683" z3="11.17928521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.98240687" y3="1.56619012" z3="11.11820259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.62041973" y3="0.371052" z3="9.33751082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.3164372" y3="-0.66704124" z3="9.10397494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19819446" y3="1.01828087" z3="8.96584589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.91933123" y3="0.73749412" z3="8.59696766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.01986846" y3="0.6292224" z3="9.14346188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.77511932" y3="1.52163338" z3="7.80990607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5736,-2.151,10.834;-3.5574,-1.207,10.2588;-3.3745,-1.9124,11.8954;-4.5891,-2.589,10.7708;-2.5253,-3.1159,10.287;-2.4864,-4.0427,10.8956;-1.5225,-2.6547,10.343;-2.7723,-3.5207,8.8344;-3.7511,-4.0302,8.7507;-1.9782,-4.2132,8.5044;-1.642,-1.9043,7.5187;-.6053,-.1744,6.041;.2926,-.156,6.6878;-.7892,.8762,5.7329;-.2445,-.9985,4.7908;.0014,-2.0245,5.1225;.6749,-.5814,4.3322;-1.3608,-1.057,3.75;-1.553,-.0376,3.357;-2.289,-1.3713,4.2599;-1.0999,-2.0076,2.578;-2.0008,-2.0434,1.936;-.9638,-3.0325,2.9729;.1073,-1.6381,1.7154;.016,-.6052,1.3301;1.0482,-1.695,2.2902;.2049,-2.3148,.847;-.5865,-2.481,7.8091;-1.7786,-.674,6.842;-2.789,-.4131,6.5142;-2.8447,-2.422,7.9636;.4831,.0441,11.6091;.3635,.1495,12.702;1.3785,.6215,11.3129;.6891,-1.0172,11.3926;-.7585,.5144,10.855;-1.6363,-.0672,11.1793;-.9824,1.5662,11.1182;-.6204,.3711,9.3375;-.3164,-.667,9.104;.1982,1.0183,8.9658;-1.9193,.7375,8.597;-3.0199,.6292,9.1435;-1.7751,1.5216,7.8099;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604254122559</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003536823671 0.000529632211 0.027519215802 0.008695217336</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020625819 -0.000792565 0.000056975 0.000236491 0.000406283 0.001095694 0.001582583 0.001993173 0.002373053 0.002688015 0.002986946 0.003711626 0.004171181 0.004628141 0.006048080 0.007135644 0.007415547 0.008495023 0.009650088 0.011801428 0.012747681 0.015589541 0.019133194 0.021780698 0.023038865 0.025098396 0.029561295 0.030563193 0.031776431 0.033267084 0.033675784 0.034905527 0.037854884 0.040179014 0.042331325 0.044711456 0.046496801 0.046988451 0.051931149 0.052685061 0.054155526 0.055140660 0.058043996 0.059310236 0.064624908 0.067529996 0.069004633 0.072539544 0.076779972 0.077089514 0.077574740 0.079403844 0.081853090 0.083359742 0.088941648 0.096282239 0.099678643 0.100087398 0.104081886 0.106592740 0.109930036 0.112852973 0.115942778 0.130527058 0.132947956 0.135419881 0.139207914 0.146483517 0.153226480 0.157531904 0.162187121 0.166094469 0.169439219 0.173482115 0.178979987 0.183483820 0.189203974 0.196179631 0.202122982 0.208683879 0.219360524 0.229098858 0.241413748 0.255745566 0.274831313 0.292945086 0.310260379 0.345089855 0.398580194 0.417289066 0.431029076 0.478138514 0.539451656 0.565813066 0.590660510 0.608361850 0.662846822 0.689371258 0.734919576 0.752588010 0.758132267 0.769477087 0.773590105 0.778649293 0.783361528 0.797540730 0.804520501 0.818812132 0.819773628 0.834931275 0.847141665 0.852647550 0.867307559 0.876775131 0.889334557 0.892141290 0.897453836 0.910544581 0.918556590 0.929845800 0.933758647 0.946117216 0.980030081 1.010354330 1.468537781 1.554069420</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">116</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.57309407" y3="-2.14298593" z3="10.83574356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55585918" y3="-1.20147049" z3="10.25682525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37697325" y3="-1.90056041" z3="11.89709781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58858426" y3="-2.5806792" z3="10.77177635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.525099" y3="-3.11041008" z3="10.29449953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49035417" y3="-4.03438363" z3="10.90595491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52222259" y3="-2.65245751" z3="10.351592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.76909949" y3="-3.51983893" z3="8.84254531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.74759284" y3="-4.02983217" z3="8.75908027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.97446736" y3="-4.21335147" z3="8.5163929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63687739" y3="-1.90906323" z3="7.52120299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59860547" y3="-0.18291048" z3="6.03956247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29997682" y3="-0.16754706" z3="6.68522544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.78036764" y3="0.86834039" z3="5.73301035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24058469" y3="-1.0057829" z3="4.78792179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.00833815" y3="-2.03196594" z3="5.11884536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.67704038" y3="-0.58662838" z3="4.32698036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.36088874" y3="-1.06644291" z3="3.75038204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.56238418" y3="-0.0457417" z3="3.36316459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28508972" y3="-1.39023826" z3="4.26188477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09748409" y3="-2.00901492" z3="2.57179868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00344062" y3="-2.05323959" z3="1.93623585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.94532921" y3="-3.03443283" z3="2.96120103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.09815618" y3="-1.62050962" z3="1.70096493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.00979504" y3="-0.58708859" z3="1.32023741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04460316" y3="-1.66748288" z3="2.26772032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19740773" y3="-2.29251434" z3="0.82894004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.58233874" y3="-2.48598555" z3="7.81377698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77227545" y3="-0.68144004" z3="6.84055488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78247248" y3="-0.41960353" z3="6.5129965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.84025713" y3="-2.4243397" z3="7.96785642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46935729" y3="0.04021533" z3="11.61667016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.33926436" y3="0.13912303" z3="12.71298812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.37209805" y3="0.61406198" z3="11.33023468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.67448996" y3="-1.02641135" z3="11.39211199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.76193588" y3="0.52064089" z3="10.85333332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.64756834" y3="-0.0524529" z3="11.17155582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.97600945" y3="1.57351393" z3="11.11291302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.61737872" y3="0.37011991" z3="9.3410386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.31320296" y3="-0.66873127" z3="9.11250589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.2035945" y3="1.01343984" z3="8.97059955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.91357504" y3="0.7365255" z3="8.59502498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0162123" y3="0.63259386" z3="9.13787045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.76526889" y3="1.51635049" z3="7.80355517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5731,-2.143,10.8357;-3.5559,-1.2015,10.2568;-3.377,-1.9006,11.8971;-4.5886,-2.5807,10.7718;-2.5251,-3.1104,10.2945;-2.4904,-4.0344,10.906;-1.5222,-2.6525,10.3516;-2.7691,-3.5198,8.8425;-3.7476,-4.0298,8.7591;-1.9745,-4.2134,8.5164;-1.6369,-1.9091,7.5212;-.5986,-.1829,6.0396;.3,-.1675,6.6852;-.7804,.8683,5.733;-.2406,-1.0058,4.7879;.0083,-2.032,5.1188;.677,-.5866,4.327;-1.3609,-1.0664,3.7504;-1.5624,-.0457,3.3632;-2.2851,-1.3902,4.2619;-1.0975,-2.009,2.5718;-2.0034,-2.0532,1.9362;-.9453,-3.0344,2.9612;.0982,-1.6205,1.701;-.0098,-.5871,1.3202;1.0446,-1.6675,2.2677;.1974,-2.2925,.8289;-.5823,-2.486,7.8138;-1.7723,-.6814,6.8406;-2.7825,-.4196,6.513;-2.8403,-2.4243,7.9679;.4694,.0402,11.6167;.3393,.1391,12.713;1.3721,.6141,11.3302;.6745,-1.0264,11.3921;-.7619,.5206,10.8533;-1.6476,-.0525,11.1716;-.976,1.5735,11.1129;-.6174,.3701,9.341;-.3132,-.6687,9.1125;.2036,1.0134,8.9706;-1.9136,.7365,8.595;-3.0162,.6326,9.1379;-1.7653,1.5164,7.8036;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604237897968</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004999632518 0.000729123882 0.026112957903 0.008701360115</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.020664364 -0.001576868 0.000033973 0.000291364 0.000405760 0.001108892 0.001596138 0.001999465 0.002396179 0.002692651 0.003160735 0.003713758 0.004177037 0.004639384 0.006048610 0.007147377 0.007422201 0.008525629 0.009647982 0.011801336 0.012757317 0.015592920 0.019135363 0.021780431 0.023036944 0.025100583 0.029561945 0.030562339 0.031779037 0.033331876 0.034508314 0.034907126 0.038524124 0.040184860 0.042338547 0.044711216 0.046502286 0.046988628 0.051935931 0.052685728 0.054159523 0.055232104 0.058043485 0.059307712 0.064628849 0.067531545 0.069031931 0.072542639 0.076785005 0.077089479 0.077574428 0.079401188 0.081856473 0.083392807 0.088942185 0.096288149 0.099680604 0.100088156 0.104120476 0.106592098 0.109929554 0.112854124 0.115943265 0.130529832 0.132944978 0.135423115 0.139211147 0.146482975 0.153702893 0.157617093 0.162379725 0.166094825 0.169479770 0.173481890 0.178980933 0.183498348 0.189224947 0.196185394 0.202130412 0.208687150 0.219487973 0.229091524 0.241446939 0.255787289 0.274869506 0.292976496 0.310264326 0.345104835 0.398743264 0.417299795 0.431029388 0.478139901 0.539454353 0.567872336 0.590683675 0.608370139 0.662855343 0.689984026 0.734922358 0.752589870 0.758139558 0.769571393 0.773590927 0.778650960 0.783382005 0.797543244 0.804520932 0.818812769 0.819779541 0.834935647 0.847151783 0.852659032 0.867323361 0.877479959 0.889334595 0.892146610 0.897457697 0.910549091 0.918579659 0.929973843 0.933792839 0.946207246 0.980038988 1.010420700 1.468540099 1.554070892</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">117</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.57189785" y3="-2.13796055" z3="10.83916347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55557129" y3="-1.19924472" z3="10.25580794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37169517" y3="-1.89075941" z3="11.89814785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58786505" y3="-2.57443553" z3="10.78061558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52650996" y3="-3.1093135" z3="10.29990981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49356323" y3="-4.03208924" z3="10.91397798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52240193" y3="-2.65259912" z3="10.3554648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.77171748" y3="-3.52082918" z3="8.84903406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.75202554" y3="-4.02687906" z3="8.76689804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.98018544" y3="-4.2184187" z3="8.5249658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63227005" y3="-1.91654647" z3="7.52487325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58929095" y3="-0.19731343" z3="6.03802291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30911189" y3="-0.18484998" z3="6.68509545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.76828519" y3="0.85536505" z3="5.73216376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23392852" y3="-1.01935801" z3="4.78465406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.01303145" y3="-2.04642866" z3="5.11301862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.68321597" y3="-0.6009941" z3="4.32245143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35719246" y3="-1.07535054" z3="3.75087965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.56343502" y3="-0.05229929" z3="3.37468394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27790508" y3="-1.40663195" z3="4.26362703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09583491" y3="-2.0052886" z3="2.5627697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00544189" y3="-2.04958322" z3="1.93430456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.93452433" y3="-3.03231088" z3="2.94115494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.08998966" y3="-1.60086469" z3="1.68626325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.03065677" y3="-0.56672919" z3="1.31214589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0403729" y3="-1.64136993" z3="2.24650808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19012782" y3="-2.26719731" z3="0.80994529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.57915932" y3="-2.49370394" z3="7.8239789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76506223" y3="-0.69431919" z3="6.83578484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77452236" y3="-0.42915428" z3="6.50913218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.83826705" y3="-2.42773369" z3="7.97182728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46396671" y3="0.04265507" z3="11.62297573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.33312925" y3="0.15333948" z3="12.71249672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.36879076" y3="0.60763662" z3="11.33392782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.66021769" y3="-1.01988369" z3="11.4146673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.76788258" y3="0.52337709" z3="10.85814791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65603096" y3="-0.04665173" z3="11.17897916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.98459637" y3="1.58092403" z3="11.11368073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.61832826" y3="0.370291" z3="9.3423613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.31854211" y3="-0.67088227" z3="9.11433598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.20619648" y3="1.01214763" z3="8.97296469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.91005724" y3="0.74067409" z3="8.5937072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.01457012" y3="0.63926572" z3="9.13058277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.75729567" y3="1.51168556" z3="7.79627523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5719,-2.138,10.8392;-3.5556,-1.1992,10.2558;-3.3717,-1.8908,11.8981;-4.5879,-2.5744,10.7806;-2.5265,-3.1093,10.2999;-2.4936,-4.0321,10.914;-1.5224,-2.6526,10.3555;-2.7717,-3.5208,8.849;-3.752,-4.0269,8.7669;-1.9802,-4.2184,8.525;-1.6323,-1.9165,7.5249;-.5893,-.1973,6.038;.3091,-.1848,6.6851;-.7683,.8554,5.7322;-.2339,-1.0194,4.7847;.013,-2.0464,5.113;.6832,-.601,4.3225;-1.3572,-1.0754,3.7509;-1.5634,-.0523,3.3747;-2.2779,-1.4066,4.2636;-1.0958,-2.0053,2.5628;-2.0054,-2.0496,1.9343;-.9345,-3.0323,2.9412;.09,-1.6009,1.6863;-.0307,-.5667,1.3121;1.0404,-1.6414,2.2465;.1901,-2.2672,.8099;-.5792,-2.4937,7.824;-1.7651,-.6943,6.8358;-2.7745,-.4292,6.5091;-2.8383,-2.4277,7.9718;.464,.0427,11.623;.3331,.1533,12.7125;1.3688,.6076,11.3339;.6602,-1.0199,11.4147;-.7679,.5234,10.8581;-1.656,-.0467,11.179;-.9846,1.5809,11.1137;-.6183,.3703,9.3424;-.3185,-.6709,9.1143;.2062,1.0121,8.973;-1.9101,.7407,8.5937;-3.0146,.6393,9.1306;-1.7573,1.5117,7.7963;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604224228190</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005825809354 0.000924717686 0.026911734801 0.008705229041</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021076549 -0.002106900 0.000059695 0.000285725 0.000410601 0.001108885 0.001594038 0.001998953 0.002425167 0.002712425 0.003257750 0.003789992 0.004196792 0.004699639 0.006051546 0.007173384 0.007424863 0.008529279 0.009645910 0.011829427 0.012793998 0.015632465 0.019140016 0.021781924 0.023043426 0.025100398 0.029561775 0.030564799 0.031780720 0.033334034 0.034898409 0.035062378 0.039848866 0.040207469 0.042369212 0.044713816 0.046510197 0.046988853 0.051947710 0.052692011 0.054171648 0.055422845 0.058044414 0.059308765 0.064630184 0.067531330 0.069030686 0.072546310 0.076785178 0.077088736 0.077580395 0.079400121 0.081859498 0.083756480 0.088943700 0.096295182 0.099681595 0.100087460 0.104282577 0.106597328 0.109929871 0.112853417 0.115943616 0.130532827 0.132978683 0.135424115 0.139215975 0.146484473 0.154366290 0.157772752 0.162997492 0.166156525 0.169518238 0.173485959 0.178997520 0.183519556 0.189231230 0.196189425 0.202152869 0.208719245 0.219578828 0.229137930 0.241508198 0.255795521 0.274927708 0.293036442 0.310269029 0.345111757 0.399140964 0.417300239 0.431031553 0.478175101 0.539471126 0.570921338 0.590715022 0.608372116 0.662866020 0.691421465 0.734939670 0.752590515 0.758139866 0.769870048 0.773595191 0.778656127 0.783385442 0.797544546 0.804527143 0.818818096 0.819779332 0.834975540 0.847156572 0.852666312 0.867336191 0.878765027 0.889342171 0.892147233 0.897457624 0.910556902 0.918585338 0.930150056 0.933821062 0.946407009 0.980041670 1.010527090 1.468540607 1.554080004</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">118</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.57349632" y3="-2.13808756" z3="10.84272054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55823864" y3="-1.20067409" z3="10.25722604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37195095" y3="-1.88781813" z3="11.90116294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58978997" y3="-2.57568713" z3="10.78677394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52788588" y3="-3.11031897" z3="10.30392072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.49412206" y3="-4.03277804" z3="10.91897259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52344845" y3="-2.6533218" z3="10.35807832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.77423144" y3="-3.5244791" z3="8.85355508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.75590571" y3="-4.02935827" z3="8.77193079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.98343506" y3="-4.22473637" z3="8.53151333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63091769" y3="-1.92395788" z3="7.5285787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58037009" y3="-0.21161685" z3="6.04089451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31657775" y3="-0.20911333" z3="6.68828915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.75046913" y3="0.84267737" z3="5.73856748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23029619" y3="-1.03186818" z3="4.7853234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.00942383" y3="-2.0612862" z3="5.11075119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.68954604" y3="-0.61941348" z3="4.32384523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.35404884" y3="-1.07755271" z3="3.75239241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.55938231" y3="-0.05129866" z3="3.38430246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27400645" y3="-1.41102588" z3="4.26424325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09521846" y3="-1.99885729" z3="2.55632099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00864006" y3="-2.04512097" z3="1.93215253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.92509673" y3="-3.02790761" z3="2.92825114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.08311299" y3="-1.58167773" z3="1.67582342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.04611203" y3="-0.54619184" z3="1.30914163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0364375" y3="-1.61957443" z3="2.23047641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.18268079" y3="-2.24133894" z3="0.79468944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.57906995" y3="-2.50139057" z3="7.83235357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75997665" y3="-0.7035232" z3="6.83602029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76784836" y3="-0.43745315" z3="6.50529496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.83863353" y3="-2.43286642" z3="7.97376347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.45576944" y3="0.05465343" z3="11.62817246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.32075049" y3="0.16649596" z3="12.723476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.36573045" y3="0.6163636" z3="11.33965357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65217086" y3="-1.01629381" z3="11.41785263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.76627107" y3="0.53782327" z3="10.85298033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6602085" y3="-0.01973999" z3="11.17688566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.96738403" y3="1.59677928" z3="11.09507799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.61896119" y3="0.36570933" z3="9.34293749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.32518362" y3="-0.67805081" z3="9.12698307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.20853418" y3="0.99723697" z3="8.96619412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.90889829" y3="0.73575244" z3="8.59033251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.01490724" y3="0.63575495" z3="9.12472665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.7546912" y3="1.5045201" z3="7.78977045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5735,-2.1381,10.8427;-3.5582,-1.2007,10.2572;-3.372,-1.8878,11.9012;-4.5898,-2.5757,10.7868;-2.5279,-3.1103,10.3039;-2.4941,-4.0328,10.919;-1.5234,-2.6533,10.3581;-2.7742,-3.5245,8.8536;-3.7559,-4.0294,8.7719;-1.9834,-4.2247,8.5315;-1.6309,-1.924,7.5286;-.5804,-.2116,6.0409;.3166,-.2091,6.6883;-.7505,.8427,5.7386;-.2303,-1.0319,4.7853;.0094,-2.0613,5.1108;.6895,-.6194,4.3238;-1.354,-1.0776,3.7524;-1.5594,-.0513,3.3843;-2.274,-1.411,4.2642;-1.0952,-1.9989,2.5563;-2.0086,-2.0451,1.9322;-.9251,-3.0279,2.9283;.0831,-1.5817,1.6758;-.0461,-.5462,1.3091;1.0364,-1.6196,2.2305;.1827,-2.2413,.7947;-.5791,-2.5014,7.8324;-1.76,-.7035,6.836;-2.7678,-.4375,6.5053;-2.8386,-2.4329,7.9738;.4558,.0547,11.6282;.3208,.1665,12.7235;1.3657,.6164,11.3397;.6522,-1.0163,11.4179;-.7663,.5378,10.853;-1.6602,-.0197,11.1769;-.9674,1.5968,11.0951;-.619,.3657,9.3429;-.3252,-.6781,9.127;.2085,.9972,8.9662;-1.9089,.7358,8.5903;-3.0149,.6358,9.1247;-1.7547,1.5045,7.7898;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604230992595</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004789124819 0.000811312375 0.036692338226 0.008704098540</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021255794 -0.001422905 0.000068836 0.000285345 0.000410619 0.001109732 0.001598030 0.002000771 0.002428847 0.002770783 0.003260493 0.003833694 0.004234663 0.004715898 0.006051397 0.007173358 0.007424612 0.008532656 0.009644645 0.011840548 0.012801920 0.015679075 0.019140220 0.021787240 0.023066105 0.025106409 0.029566827 0.030570473 0.031794705 0.033334250 0.034903874 0.035329572 0.040178770 0.040913930 0.042467113 0.044738031 0.046517401 0.046990273 0.051953557 0.052695330 0.054176337 0.055624560 0.058049653 0.059313911 0.064630530 0.067532692 0.069032413 0.072550281 0.076786162 0.077103042 0.077592701 0.079400110 0.081858851 0.084076545 0.088944349 0.096302504 0.099681566 0.100087423 0.104593594 0.106625128 0.109929653 0.112853917 0.115945873 0.130533670 0.133015659 0.135424844 0.139218232 0.146490145 0.154918258 0.158018192 0.163314332 0.166192508 0.169520174 0.173486715 0.179001206 0.183522636 0.189250972 0.196203751 0.202170517 0.208717469 0.219624424 0.229222528 0.241530720 0.255856979 0.274998866 0.293186893 0.310279001 0.345115776 0.399499699 0.417321779 0.431036427 0.478223202 0.539517455 0.573687927 0.590778876 0.608400837 0.662867763 0.692747794 0.734985746 0.752593780 0.758143605 0.770319374 0.773595310 0.778670856 0.783386531 0.797545196 0.804532426 0.818819795 0.819779611 0.835159583 0.847158368 0.852665901 0.867385096 0.880257807 0.889345065 0.892169962 0.897460897 0.910572530 0.918588626 0.930180405 0.933821618 0.946639696 0.980042999 1.010903468 1.468540746 1.554125794</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">119</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.57221184" y3="-2.13892028" z3="10.84556527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55277123" y3="-1.20192166" z3="10.26021484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37055921" y3="-1.89021079" z3="11.90429087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.59025553" y3="-2.5707038" z3="10.788911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53229574" y3="-3.11610651" z3="10.30694536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50412081" y3="-4.03751443" z3="10.92252441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52606457" y3="-2.66562146" z3="10.36074862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.78058697" y3="-3.52982046" z3="8.85685116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.76412059" y3="-4.03043217" z3="8.77623875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.99328177" y3="-4.23354268" z3="8.53492904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63114798" y3="-1.93438612" z3="7.5310276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57321268" y3="-0.22613613" z3="6.04344807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32333475" y3="-0.23257776" z3="6.69228427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.73710604" y3="0.83138395" z3="5.74701998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22593774" y3="-1.04045693" z3="4.7832264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.01220356" y3="-2.07286309" z3="5.10311614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69510231" y3="-0.62651685" z3="4.32396276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3515146" y3="-1.07848186" z3="3.7502484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.55665288" y3="-0.04906318" z3="3.38905562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27191252" y3="-1.41486502" z3="4.26003362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09448359" y3="-1.991602" z3="2.54770104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00903623" y3="-2.03390676" z3="1.92589242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.92304853" y3="-3.02250545" z3="2.91112512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.08040946" y3="-1.56668123" z3="1.66679066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.05336769" y3="-0.52963081" z3="1.30571734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.03561884" y3="-1.60401836" z3="2.21880476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.17951185" y3="-2.2216847" z3="0.7818785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.58162205" y3="-2.51369077" z3="7.83863869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75623739" y3="-0.71662797" z3="6.83404692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76292428" y3="-0.44802895" z3="6.50135579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8409361" y3="-2.43907525" z3="7.97618965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4579429" y3="0.06999903" z3="11.63210124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.32740386" y3="0.20318829" z3="12.71980944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.36903387" y3="0.62106496" z3="11.33299089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.64345263" y3="-1.00014069" z3="11.44166436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.76574996" y3="0.55008648" z3="10.85502338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6623381" y3="0.00139679" z3="11.18749403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.96449579" y3="1.616343" z3="11.086609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.62071584" y3="0.36104873" z3="9.34435584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.33420653" y3="-0.68837302" z3="9.13764674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.21107672" y3="0.98211569" z3="8.95935928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.90974294" y3="0.73125523" z3="8.59227276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0156833" y3="0.63188116" z3="9.12555059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.75511153" y3="1.49573114" z3="7.78871226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5722,-2.1389,10.8456;-3.5528,-1.2019,10.2602;-3.3706,-1.8902,11.9043;-4.5903,-2.5707,10.7889;-2.5323,-3.1161,10.3069;-2.5041,-4.0375,10.9225;-1.5261,-2.6656,10.3607;-2.7806,-3.5298,8.8569;-3.7641,-4.0304,8.7762;-1.9933,-4.2335,8.5349;-1.6311,-1.9344,7.531;-.5732,-.2261,6.0434;.3233,-.2326,6.6923;-.7371,.8314,5.747;-.2259,-1.0405,4.7832;.0122,-2.0729,5.1031;.6951,-.6265,4.324;-1.3515,-1.0785,3.7502;-1.5567,-.0491,3.3891;-2.2719,-1.4149,4.26;-1.0945,-1.9916,2.5477;-2.009,-2.0339,1.9259;-.923,-3.0225,2.9111;.0804,-1.5667,1.6668;-.0534,-.5296,1.3057;1.0356,-1.604,2.2188;.1795,-2.2217,.7819;-.5816,-2.5137,7.8386;-1.7562,-.7166,6.834;-2.7629,-.448,6.5014;-2.8409,-2.4391,7.9762;.4579,.07,11.6321;.3274,.2032,12.7198;1.369,.6211,11.333;.6435,-1.0001,11.4417;-.7657,.5501,10.855;-1.6623,.0014,11.1875;-.9645,1.6163,11.0866;-.6207,.361,9.3444;-.3342,-.6884,9.1376;.2111,.9821,8.9594;-1.9097,.7313,8.5923;-3.0157,.6319,9.1256;-1.7551,1.4957,7.7887;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604249708135</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003224407338 0.000606287630 0.034294967726 0.008700265219</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021324165 -0.000741342 0.000067715 0.000263188 0.000412914 0.001143896 0.001595658 0.002005061 0.002430378 0.002779114 0.003268926 0.003831613 0.004233972 0.004715474 0.006056956 0.007176819 0.007425975 0.008543154 0.009646012 0.011842596 0.012801521 0.015694293 0.019141396 0.021799241 0.023101974 0.025117064 0.029573295 0.030590906 0.031805613 0.033334510 0.034904346 0.035390962 0.040183921 0.041178385 0.042514314 0.044745483 0.046516520 0.046993376 0.051953542 0.052696016 0.054176755 0.055734594 0.058059163 0.059313369 0.064642126 0.067534765 0.069036316 0.072556429 0.076787736 0.077125296 0.077596984 0.079400796 0.081860670 0.084195124 0.088947965 0.096324536 0.099682615 0.100087550 0.104820209 0.106666257 0.109929988 0.112855059 0.115956918 0.130533703 0.133051911 0.135432382 0.139218773 0.146492353 0.155226846 0.158230552 0.163458571 0.166192411 0.169522496 0.173489908 0.179021517 0.183527379 0.189311251 0.196207455 0.202169418 0.208724016 0.219625842 0.229292077 0.241556086 0.255906584 0.275052067 0.293204295 0.310283700 0.345116474 0.399626132 0.417356886 0.431040713 0.478239903 0.539561344 0.574679621 0.590805110 0.608438296 0.662896218 0.693848757 0.735012767 0.752603010 0.758143685 0.770686026 0.773604204 0.778674779 0.783388107 0.797548538 0.804533858 0.818819870 0.819782061 0.835185965 0.847191671 0.852666411 0.867400546 0.881375786 0.889369448 0.892183267 0.897461887 0.910578785 0.918594246 0.930226565 0.933839602 0.946980306 0.980049016 1.011106171 1.468540753 1.554136241</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">120</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.57038281" y3="-2.14465576" z3="10.84911729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54821734" y3="-1.2065059" z3="10.26506727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.36439973" y3="-1.89861171" z3="11.90743162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.59059218" y3="-2.57222636" z3="10.79421311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53543222" y3="-3.12587197" z3="10.30685805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50848189" y3="-4.04889052" z3="10.9212445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52707055" y3="-2.67786219" z3="10.35892038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.78857408" y3="-3.53632596" z3="8.85674106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.77481007" y3="-4.03168287" z3="8.77723453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.00561487" y3="-4.24398648" z3="8.53268941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63376554" y3="-1.94200226" z3="7.53378271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57173305" y3="-0.23573745" z3="6.04640586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32448906" y3="-0.24680307" z3="6.69613783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.73206341" y3="0.82352089" z3="5.75225351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22673396" y3="-1.04782122" z3="4.78345661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.00210673" y3="-2.08302307" z3="5.09866133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69826035" y3="-0.63944161" z3="4.32842579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34836766" y3="-1.07187581" z3="3.74712718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.54353993" y3="-0.03972222" z3="3.39142343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27261984" y3="-1.40347733" z3="4.25242038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09481455" y3="-1.98057347" z3="2.54082214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00816604" y3="-2.01476347" z3="1.9166994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.93041698" y3="-3.01412073" z3="2.90029122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.08483891" y3="-1.56009464" z3="1.66477004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.04041646" y3="-0.52133325" z3="1.3076245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.03754514" y3="-1.60646161" z3="2.21920549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.18193995" y3="-2.21219795" z3="0.77761002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.58534525" y3="-2.52237053" z3="7.84361428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75654987" y3="-0.72418863" z3="6.83567689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7624058" y3="-0.45561613" z3="6.50037708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.84509774" y3="-2.44447822" z3="7.9772053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46386936" y3="0.09267323" z3="11.6315012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.33935394" y3="0.23748326" z3="12.72298661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.37486569" y3="0.63671884" z3="11.31971386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.64828345" y3="-0.98366569" z3="11.45178437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.76222356" y3="0.56536839" z3="10.85481681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65912176" y3="0.0231682" z3="11.19996092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.95292032" y3="1.63356825" z3="11.07017563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.62633254" y3="0.35357894" z3="9.3466049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.35105398" y3="-0.70000398" z3="9.15246714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.20885896" y3="0.96371908" z3="8.94920111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.91435903" y3="0.72393962" z3="8.59352341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.02056048" y3="0.6227143" z3="9.1256144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.76058979" y3="1.48932637" z3="7.79051427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5704,-2.1447,10.8491;-3.5482,-1.2065,10.2651;-3.3644,-1.8986,11.9074;-4.5906,-2.5722,10.7942;-2.5354,-3.1259,10.3069;-2.5085,-4.0489,10.9212;-1.5271,-2.6779,10.3589;-2.7886,-3.5363,8.8567;-3.7748,-4.0317,8.7772;-2.0056,-4.244,8.5327;-1.6338,-1.942,7.5338;-.5717,-.2357,6.0464;.3245,-.2468,6.6961;-.7321,.8235,5.7523;-.2267,-1.0478,4.7835;.0021,-2.083,5.0987;.6983,-.6394,4.3284;-1.3484,-1.0719,3.7471;-1.5435,-.0397,3.3914;-2.2726,-1.4035,4.2524;-1.0948,-1.9806,2.5408;-2.0082,-2.0148,1.9167;-.9304,-3.0141,2.9003;.0848,-1.5601,1.6648;-.0404,-.5213,1.3076;1.0375,-1.6065,2.2192;.1819,-2.2122,.7776;-.5853,-2.5224,7.8436;-1.7565,-.7242,6.8357;-2.7624,-.4556,6.5004;-2.8451,-2.4445,7.9772;.4639,.0927,11.6315;.3394,.2375,12.723;1.3749,.6367,11.3197;.6483,-.9837,11.4518;-.7622,.5654,10.8548;-1.6591,.0232,11.2;-.9529,1.6336,11.0702;-.6263,.3536,9.3466;-.3511,-.7,9.1525;.2089,.9637,8.9492;-1.9144,.7239,8.5935;-3.0206,.6227,9.1256;-1.7606,1.4893,7.7905;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604264551667</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002392198978 0.000487460902 0.036356323578 0.008703857919</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021342239 -0.000516833 0.000047719 0.000246010 0.000422436 0.001161035 0.001596985 0.002005419 0.002429554 0.002800570 0.003309254 0.003836237 0.004234266 0.004715127 0.006089623 0.007210199 0.007424871 0.008568537 0.009643441 0.011843054 0.012802767 0.015695895 0.019144281 0.021807836 0.023123314 0.025124051 0.029576232 0.030609677 0.031816070 0.033334959 0.034905562 0.035399730 0.040185528 0.041217140 0.042560843 0.044746661 0.046518497 0.046996597 0.051958463 0.052696938 0.054177755 0.055787588 0.058058984 0.059314346 0.064643486 0.067538643 0.069061067 0.072560535 0.076789093 0.077177525 0.077613189 0.079402495 0.081864595 0.084206673 0.088948203 0.096335093 0.099683773 0.100088058 0.104919482 0.106685740 0.109930008 0.112857330 0.115957906 0.130533774 0.133051382 0.135443250 0.139219468 0.146494816 0.155523992 0.158446929 0.163476767 0.166242261 0.169537637 0.173495528 0.179023350 0.183534927 0.189362942 0.196212613 0.202171918 0.208741063 0.219664099 0.229314902 0.241578775 0.255948768 0.275128363 0.293223165 0.310285093 0.345152732 0.399669262 0.417382321 0.431049054 0.478241089 0.539607495 0.574783679 0.590820257 0.608453592 0.662929132 0.694097898 0.735018122 0.752607067 0.758148592 0.770851993 0.773616240 0.778676945 0.783390000 0.797550221 0.804535726 0.818820526 0.819782049 0.835225401 0.847203233 0.852675495 0.867400522 0.881945741 0.889516997 0.892276625 0.897465464 0.910578845 0.918601811 0.930266006 0.933855037 0.947471579 0.980049510 1.011272500 1.468551771 1.554137200</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">121</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.57115235" y3="-2.15212845" z3="10.85087491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5439891" y3="-1.21193006" z3="10.27043269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.36475645" y3="-1.91115748" z3="11.91060443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.59366166" y3="-2.5739332" z3="10.79381073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.54137849" y3="-3.13652651" z3="10.30516709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52084125" y3="-4.0615809" z3="10.91560992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.53078286" y3="-2.6958292" z3="10.35982054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.79589346" y3="-3.54143165" z3="8.85346623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.78283374" y3="-4.03618989" z3="8.77284521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0131635" y3="-4.24876435" z3="8.52694005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64075717" y3="-1.94607476" z3="7.53229477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57460748" y3="-0.23890197" z3="6.04984876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31990805" y3="-0.25930731" z3="6.69945038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.7289962" y3="0.82199408" z3="5.76308064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22937129" y3="-1.04442961" z3="4.78335972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.00205231" y3="-2.08163945" z3="5.09495257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69769716" y3="-0.63506118" z3="4.33247915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34840668" y3="-1.06394309" z3="3.74309458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53896084" y3="-0.03064429" z3="3.38476113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27630975" y3="-1.39206695" z3="4.2448078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09345047" y3="-1.97535379" z3="2.53857678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00405725" y3="-2.00464244" z3="1.90935175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.936775" y3="-3.00998959" z3="2.8997108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.09372553" y3="-1.56149933" z3="1.66839997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-0.0241182" y3="-0.52129118" z3="1.31020225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04455429" y3="-1.61326796" z3="2.22735729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19098318" y3="-2.21420351" z3="0.78179228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.59345916" y3="-2.52890034" z3="7.84012445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76151954" y3="-0.72727134" z3="6.83592087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76667115" y3="-0.45668609" z3="6.50029703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.85222336" y3="-2.44678866" z3="7.97707777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47695125" y3="0.11032281" z3="11.62768507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.36295738" y3="0.27383959" z3="12.71422097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38708842" y3="0.65107353" z3="11.30125974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65534425" y3="-0.96705135" z3="11.46205412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75356007" y3="0.57645932" z3="10.85374794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.64794192" y3="0.04164138" z3="11.21229299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.94189973" y3="1.64901071" z3="11.06005938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.62996804" y3="0.34696068" z3="9.3473683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.36149607" y3="-0.71128909" z3="9.16552991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.20630343" y3="0.94391281" z3="8.93663879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.92140098" y3="0.71696195" z3="8.60025513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0257972" y3="0.61190246" z3="9.13581331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.77162199" y3="1.48508297" z3="7.79893468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5712,-2.1521,10.8509;-3.544,-1.2119,10.2704;-3.3648,-1.9112,11.9106;-4.5937,-2.5739,10.7938;-2.5414,-3.1365,10.3052;-2.5208,-4.0616,10.9156;-1.5308,-2.6958,10.3598;-2.7959,-3.5414,8.8535;-3.7828,-4.0362,8.7728;-2.0132,-4.2488,8.5269;-1.6408,-1.9461,7.5323;-.5746,-.2389,6.0498;.3199,-.2593,6.6995;-.729,.822,5.7631;-.2294,-1.0444,4.7834;-.0021,-2.0816,5.095;.6977,-.6351,4.3325;-1.3484,-1.0639,3.7431;-1.539,-.0306,3.3848;-2.2763,-1.3921,4.2448;-1.0935,-1.9754,2.5386;-2.0041,-2.0046,1.9094;-.9368,-3.01,2.8997;.0937,-1.5615,1.6684;-.0241,-.5213,1.3102;1.0446,-1.6133,2.2274;.191,-2.2142,.7818;-.5935,-2.5289,7.8401;-1.7615,-.7273,6.8359;-2.7667,-.4567,6.5003;-2.8522,-2.4468,7.9771;.477,.1103,11.6277;.363,.2738,12.7142;1.3871,.6511,11.3013;.6553,-.9671,11.4621;-.7536,.5765,10.8537;-1.6479,.0416,11.2123;-.9419,1.649,11.0601;-.63,.347,9.3474;-.3615,-.7113,9.1655;.2063,.9439,8.9366;-1.9214,.717,8.6003;-3.0258,.6119,9.1358;-1.7716,1.4851,7.7989;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604274710963</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002603778723 0.000510300823 0.029220520074 0.008707769091</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021354229 -0.000557290 0.000055705 0.000258901 0.000425733 0.001217608 0.001596021 0.002007334 0.002443681 0.002813976 0.003336445 0.003846639 0.004233321 0.004719587 0.006194637 0.007278333 0.007426729 0.008623870 0.009646904 0.011843784 0.012811309 0.015700308 0.019148957 0.021815300 0.023132024 0.025127281 0.029576831 0.030628827 0.031822172 0.033335181 0.034908610 0.035400640 0.040186678 0.041214338 0.042568402 0.044747768 0.046522926 0.046998491 0.051967490 0.052697070 0.054185508 0.055810294 0.058059496 0.059315090 0.064646926 0.067539604 0.069072921 0.072562102 0.076790133 0.077219143 0.077627330 0.079410038 0.081865741 0.084215705 0.088948654 0.096350068 0.099684372 0.100088851 0.104988622 0.106702148 0.109930608 0.112860200 0.115959181 0.130533837 0.133056976 0.135452668 0.139221627 0.146501245 0.155755016 0.158735222 0.163481249 0.166457105 0.169565311 0.173502731 0.179023672 0.183540137 0.189406052 0.196224360 0.202191440 0.208749520 0.219721444 0.229333311 0.241579938 0.255958660 0.275159210 0.293313901 0.310285332 0.345194242 0.399671983 0.417406196 0.431054907 0.478241603 0.539648638 0.574781462 0.590820839 0.608473737 0.662998415 0.694200560 0.735051227 0.752608235 0.758155066 0.770912191 0.773626637 0.778677712 0.783395941 0.797555701 0.804535916 0.818821701 0.819782960 0.835306088 0.847218419 0.852695408 0.867401175 0.882518074 0.889738338 0.892329077 0.897466485 0.910579284 0.918608052 0.930395649 0.933888604 0.947971071 0.980053978 1.011337871 1.468566597 1.554137303</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">122</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.56456795" y3="-2.16036385" z3="10.85506237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53484633" y3="-1.21801114" z3="10.27832208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.35297646" y3="-1.92494096" z3="11.91461249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58934713" y3="-2.57630525" z3="10.80025833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.54205938" y3="-3.14808908" z3="10.3019308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52324969" y3="-4.07584215" z3="10.90940344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.529014" y3="-2.7115611" z3="10.35400645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.80396855" y3="-3.54606755" z3="8.85001046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.7934251" y3="-4.03451629" z3="8.77181543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.02740697" y3="-4.25659914" z3="8.51794186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64562737" y3="-1.94907854" z3="7.53291504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57987184" y3="-0.23949468" z3="6.0509343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31532729" y3="-0.2559094" z3="6.70231207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.7379575" y3="0.82203642" z3="5.76274458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23207799" y3="-1.04396304" z3="4.7837043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0077748" y3="-2.08232506" z3="5.09286901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69690531" y3="-0.6349278" z3="4.33679581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3472784" y3="-1.05667887" z3="3.73976685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52979046" y3="-0.02235195" z3="3.38285647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.27877511" y3="-1.37988171" z3="4.23779054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09382072" y3="-1.96719571" z3="2.53480856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99888395" y3="-1.98291615" z3="1.89883676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.95373467" y3="-3.00396016" z3="2.89376956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.10516289" y3="-1.56755933" z3="1.67501436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.00510232" y3="-0.5257404" z3="1.31855256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04942896" y3="-1.63403184" z3="2.24175779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20148404" y3="-2.21983761" z3="0.787664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.59860504" y3="-2.53280398" z3="7.84110658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76655379" y3="-0.72998898" z3="6.83619124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7718536" y3="-0.4597798" z3="6.50046493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.85775159" y3="-2.44871527" z3="7.97727308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48610668" y3="0.12657347" z3="11.62244625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.38455869" y3="0.30028267" z3="12.71147613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.39345346" y3="0.65350575" z3="11.27888723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65955246" y3="-0.95530939" z3="11.46712825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.75077861" y3="0.58906489" z3="10.8553103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.64440458" y3="0.05738528" z3="11.22509738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.93286922" y3="1.66247387" z3="11.05138608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.63742479" y3="0.34344938" z3="9.34924153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.37959357" y3="-0.71873155" z3="9.17404825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.20188642" y3="0.93245816" z3="8.92898601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.92850508" y3="0.71455793" z3="8.60390503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0320582" y3="0.60749419" z3="9.13963395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.78047787" y3="1.48358304" z3="7.80333434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5646,-2.1604,10.8551;-3.5348,-1.218,10.2783;-3.353,-1.9249,11.9146;-4.5893,-2.5763,10.8003;-2.5421,-3.1481,10.3019;-2.5232,-4.0758,10.9094;-1.529,-2.7116,10.354;-2.804,-3.5461,8.85;-3.7934,-4.0345,8.7718;-2.0274,-4.2566,8.5179;-1.6456,-1.9491,7.5329;-.5799,-.2395,6.0509;.3153,-.2559,6.7023;-.738,.822,5.7627;-.2321,-1.044,4.7837;-.0078,-2.0823,5.0929;.6969,-.6349,4.3368;-1.3473,-1.0567,3.7398;-1.5298,-.0224,3.3829;-2.2788,-1.3799,4.2378;-1.0938,-1.9672,2.5348;-1.9989,-1.9829,1.8988;-.9537,-3.004,2.8938;.1052,-1.5676,1.675;.0051,-.5257,1.3186;1.0494,-1.634,2.2418;.2015,-2.2198,.7877;-.5986,-2.5328,7.8411;-1.7666,-.73,6.8362;-2.7719,-.4598,6.5005;-2.8578,-2.4487,7.9773;.4861,.1266,11.6224;.3846,.3003,12.7115;1.3935,.6535,11.2789;.6596,-.9553,11.4671;-.7508,.5891,10.8553;-1.6444,.0574,11.2251;-.9329,1.6625,11.0514;-.6374,.3434,9.3492;-.3796,-.7187,9.174;.2019,.9325,8.929;-1.9285,.7146,8.6039;-3.0321,.6075,9.1396;-1.7805,1.4836,7.8033;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604278667081</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003318093779 0.000610671484 0.027214541154 0.008704005349</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021339612 -0.000723581 0.000060333 0.000261666 0.000425904 0.001212575 0.001604869 0.002020653 0.002453786 0.002815806 0.003332029 0.003842691 0.004234580 0.004727891 0.006238216 0.007378152 0.007438318 0.008656215 0.009664651 0.011846451 0.012834304 0.015742166 0.019155469 0.021813806 0.023144305 0.025131711 0.029577403 0.030649383 0.031824088 0.033335967 0.034912039 0.035430817 0.040187615 0.041245086 0.042572762 0.044756990 0.046527169 0.046998783 0.051977920 0.052698104 0.054190052 0.055838236 0.058060473 0.059316750 0.064644710 0.067540444 0.069094808 0.072562788 0.076794655 0.077263751 0.077686933 0.079417868 0.081868794 0.084215945 0.088949561 0.096353809 0.099684648 0.100089840 0.104999717 0.106706471 0.109931001 0.112860736 0.115959497 0.130534201 0.133070191 0.135456597 0.139226150 0.146504860 0.155961903 0.159192356 0.163536576 0.166865187 0.169598858 0.173505597 0.179034634 0.183555270 0.189403604 0.196243300 0.202206190 0.208759733 0.219757159 0.229353790 0.241583875 0.255963374 0.275222816 0.293454650 0.310285250 0.345253804 0.399676019 0.417423746 0.431060572 0.478248260 0.539658626 0.574815371 0.590826103 0.608474799 0.663045643 0.694328991 0.735105719 0.752608915 0.758168742 0.770985961 0.773627648 0.778678564 0.783398738 0.797557320 0.804540050 0.818822414 0.819785100 0.835543204 0.847221927 0.852703771 0.867409398 0.883100521 0.890105552 0.892495082 0.897467875 0.910579778 0.918613778 0.930409549 0.933890163 0.948714784 0.980060974 1.011360269 1.468593095 1.554137727</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">123</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.55691219" y3="-2.16877836" z3="10.86036097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52699414" y3="-1.22397815" z3="10.28740598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.33924465" y3="-1.93867616" z3="11.92000991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.58371881" y3="-2.58062714" z3="10.80871766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.54122077" y3="-3.1583365" z3="10.29793362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52521168" y3="-4.08908126" z3="10.90030609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52590133" y3="-2.72791261" z3="10.34826335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.81072965" y3="-3.54860799" z3="8.84497492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.80168266" y3="-4.03594025" z3="8.76884434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.03574752" y3="-4.25908036" z3="8.50696976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65495796" y3="-1.94892031" z3="7.52872743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58725638" y3="-0.23818226" z3="6.05087963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30548285" y3="-0.25877581" z3="6.70314546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.74274725" y3="0.82339291" z3="5.76629932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23609867" y3="-1.0394087" z3="4.78284384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.01682527" y3="-2.07891016" z3="5.09100293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69631766" y3="-0.63316595" z3="4.34106454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3460013" y3="-1.04665143" z3="3.7334784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51968979" y3="-0.01194687" z3="3.37223333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2819422" y3="-1.3620563" z3="4.22792785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09258084" y3="-1.96337156" z3="2.53255446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99401001" y3="-1.97322041" z3="1.88904977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.96389697" y3="-3.00133471" z3="2.89637541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.11748214" y3="-1.57685407" z3="1.68136023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.03231686" y3="-0.53290843" z3="1.32521436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05778543" y3="-1.65518197" z3="2.2544529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.2113901" y3="-2.22885969" z3="0.79403064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.60818281" y3="-2.53439852" z3="7.83438549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77537939" y3="-0.73106951" z3="6.8319862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78051569" y3="-0.45665264" z3="6.49982561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.86675076" y3="-2.44745806" z3="7.97704417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49429373" y3="0.13629217" z3="11.61932318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39902377" y3="0.32681512" z3="12.70376101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4052452" y3="0.66167982" z3="11.26553028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65901579" y3="-0.94659372" z3="11.47568739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74400049" y3="0.5967851" z3="10.85494153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.63670244" y3="0.07339925" z3="11.23504336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.9227201" y3="1.67402058" z3="11.04528779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.642885" y3="0.33925341" z3="9.35106921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.39339205" y3="-0.72598058" z3="9.18515249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19618323" y3="0.9162844" z3="8.91832168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.93720261" y3="0.7155876" z3="8.61474156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03879289" y3="0.60511618" z3="9.1531739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79300427" y3="1.48368124" z3="7.81267091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" 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 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5569,-2.1688,10.8604;-3.527,-1.224,10.2874;-3.3392,-1.9387,11.92;-4.5837,-2.5806,10.8087;-2.5412,-3.1583,10.2979;-2.5252,-4.0891,10.9003;-1.5259,-2.7279,10.3483;-2.8107,-3.5486,8.845;-3.8017,-4.0359,8.7688;-2.0357,-4.2591,8.507;-1.655,-1.9489,7.5287;-.5873,-.2382,6.0509;.3055,-.2588,6.7031;-.7427,.8234,5.7663;-.2361,-1.0394,4.7828;-.0168,-2.0789,5.091;.6963,-.6332,4.3411;-1.346,-1.0467,3.7335;-1.5197,-.0119,3.3722;-2.2819,-1.3621,4.2279;-1.0926,-1.9634,2.5326;-1.994,-1.9732,1.889;-.9639,-3.0013,2.8964;.1175,-1.5769,1.6814;.0323,-.5329,1.3252;1.0578,-1.6552,2.2545;.2114,-2.2289,.794;-.6082,-2.5344,7.8344;-1.7754,-.7311,6.832;-2.7805,-.4567,6.4998;-2.8668,-2.4475,7.977;.4943,.1363,11.6193;.399,.3268,12.7038;1.4052,.6617,11.2655;.659,-.9466,11.4757;-.744,.5968,10.8549;-1.6367,.0734,11.235;-.9227,1.674,11.0453;-.6429,.3393,9.3511;-.3934,-.726,9.1852;.1962,.9163,8.9183;-1.9372,.7156,8.6147;-3.0388,.6051,9.1532;-1.793,1.4837,7.8127;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604282260646</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003709608162 0.000635477841 0.026925022537 0.008709267061</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021338530 -0.000785226 0.000059192 0.000269868 0.000425787 0.001212651 0.001605866 0.002057658 0.002469023 0.002827531 0.003328749 0.003843510 0.004237162 0.004729180 0.006250223 0.007387622 0.007465750 0.008684529 0.009676752 0.011848700 0.012852074 0.015812347 0.019161754 0.021823084 0.023146807 0.025133815 0.029578533 0.030652268 0.031824801 0.033341743 0.034912136 0.035470860 0.040188438 0.041308683 0.042582487 0.044759622 0.046531084 0.046998962 0.051988645 0.052701499 0.054189521 0.055852740 0.058065937 0.059319678 0.064645510 0.067540925 0.069101200 0.072572171 0.076816500 0.077302539 0.077784748 0.079423657 0.081871358 0.084225455 0.088949956 0.096364096 0.099684641 0.100091240 0.105024343 0.106710502 0.109933397 0.112860973 0.115960430 0.130534245 0.133109699 0.135456496 0.139233016 0.146509616 0.156089011 0.159629971 0.163643722 0.167428721 0.169647766 0.173507374 0.179034203 0.183553234 0.189403908 0.196277785 0.202214933 0.208767873 0.219792040 0.229373758 0.241608827 0.255963821 0.275282842 0.293556165 0.310285609 0.345313248 0.399690305 0.417428202 0.431062232 0.478257891 0.539658644 0.574857842 0.590855739 0.608475485 0.663066120 0.694343753 0.735152901 0.752610344 0.758174597 0.770992923 0.773628131 0.778679607 0.783402082 0.797559457 0.804543322 0.818822462 0.819785816 0.836095528 0.847222111 0.852719446 0.867421562 0.883689418 0.890406292 0.892736102 0.897468641 0.910580323 0.918617726 0.930477935 0.933897636 0.949708106 0.980063692 1.011366112 1.468644032 1.554137791</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">124</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.54727435" y3="-2.1784974" z3="10.86549852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52012795" y3="-1.23240973" z3="10.29470987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.31993691" y3="-1.95149772" z3="11.92380192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.57568554" y3="-2.58700322" z3="10.82169216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53902648" y3="-3.16965164" z3="10.29235053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52362141" y3="-4.10344693" z3="10.89036552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.52139992" y3="-2.74387912" z3="10.33901283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.81801061" y3="-3.55170978" z3="8.83896042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.81126462" y3="-4.03393065" z3="8.76625431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.04868081" y3="-4.26427603" z3="8.49367744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66201262" y3="-1.94905768" z3="7.52648529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59247952" y3="-0.2367653" z3="6.05214147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29902242" y3="-0.2580834" z3="6.70706574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.74777818" y3="0.82581013" z3="5.76904672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23796692" y3="-1.03547168" z3="4.78357835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02036299" y3="-2.07596255" z3="5.09077455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69632277" y3="-0.62834668" z3="4.34567571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34502377" y3="-1.03910573" z3="3.73091579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51190637" y3="-0.00399959" z3="3.36711319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2846063" y3="-1.34871033" z3="4.22265748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09274377" y3="-1.95866758" z3="2.53248329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.9884133" y3="-1.95639818" z3="1.88270773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.98050169" y3="-2.99747598" z3="2.89629147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12835889" y3="-1.58659371" z3="1.69086382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.05924188" y3="-0.54104876" z3="1.33605958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06306556" y3="-1.67796632" z3="2.27097475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22093845" y3="-2.23880325" z3="0.80314509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61506505" y3="-2.53528312" z3="7.83243106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.7823234" y3="-0.73221133" z3="6.82865609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78731128" y3="-0.4546508" z3="6.49832071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87401131" y3="-2.44717738" z3="7.9757372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.5001067" y3="0.14789593" z3="11.61350052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41794493" y3="0.34710736" z3="12.69982437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40888331" y3="0.65323401" z3="11.24431036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.656365" y3="-0.93898432" z3="11.4802543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74198925" y3="0.61052072" z3="10.85510265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.63531536" y3="0.09310155" z3="11.24463974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.9114502" y3="1.68848425" z3="11.03636674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.65043287" y3="0.33898257" z3="9.3522675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.41104881" y3="-0.72984378" z3="9.1911814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.19242104" y3="0.90753393" z3="8.91235776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.94484502" y3="0.71707539" z3="8.61965145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.04537915" y3="0.6027986" z3="9.15733135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80303701" y3="1.48375256" z3="7.81613616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5473,-2.1785,10.8655;-3.5201,-1.2324,10.2947;-3.3199,-1.9515,11.9238;-4.5757,-2.587,10.8217;-2.539,-3.1697,10.2924;-2.5236,-4.1034,10.8904;-1.5214,-2.7439,10.339;-2.818,-3.5517,8.839;-3.8113,-4.0339,8.7663;-2.0487,-4.2643,8.4937;-1.662,-1.9491,7.5265;-.5925,-.2368,6.0521;.299,-.2581,6.7071;-.7478,.8258,5.769;-.238,-1.0355,4.7836;-.0204,-2.076,5.0908;.6963,-.6283,4.3457;-1.345,-1.0391,3.7309;-1.5119,-.004,3.3671;-2.2846,-1.3487,4.2227;-1.0927,-1.9587,2.5325;-1.9884,-1.9564,1.8827;-.9805,-2.9975,2.8963;.1284,-1.5866,1.6909;.0592,-.541,1.3361;1.0631,-1.678,2.271;.2209,-2.2388,.8031;-.6151,-2.5353,7.8324;-1.7823,-.7322,6.8287;-2.7873,-.4547,6.4983;-2.874,-2.4472,7.9757;.5001,.1479,11.6135;.4179,.3471,12.6998;1.4089,.6532,11.2443;.6564,-.939,11.4803;-.742,.6105,10.8551;-1.6353,.0931,11.2446;-.9115,1.6885,11.0364;-.6504,.339,9.3523;-.411,-.7298,9.1912;.1924,.9075,8.9124;-1.9448,.7171,8.6197;-3.0454,.6028,9.1573;-1.803,1.4838,7.8161;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604286803543</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003644442571 0.000617410991 0.027392435049 0.008708305150</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021341164 -0.000685319 0.000058500 0.000279149 0.000432593 0.001212435 0.001606997 0.002066482 0.002467211 0.002823211 0.003328081 0.003878747 0.004235195 0.004730710 0.006246757 0.007387480 0.007463779 0.008677075 0.009695447 0.011849169 0.012863583 0.015908246 0.019164279 0.021853789 0.023149115 0.025136734 0.029580328 0.030653053 0.031824468 0.033347601 0.034912733 0.035497592 0.040188871 0.041403854 0.042583071 0.044761742 0.046533349 0.046999119 0.051991972 0.052711153 0.054191467 0.055860640 0.058064148 0.059323047 0.064649090 0.067542568 0.069105946 0.072576328 0.076832172 0.077316924 0.077860823 0.079424724 0.081873592 0.084227607 0.088949630 0.096379650 0.099684735 0.100092137 0.105033990 0.106712324 0.109934138 0.112862692 0.115962055 0.130535855 0.133141697 0.135456821 0.139240847 0.146509184 0.156134573 0.160091399 0.163747895 0.168037802 0.169714561 0.173513233 0.179037488 0.183552702 0.189406690 0.196288268 0.202234729 0.208784304 0.219794645 0.229395232 0.241667685 0.255965123 0.275320515 0.293565340 0.310285714 0.345317305 0.399696488 0.417431128 0.431065132 0.478261482 0.539670337 0.574880341 0.590893798 0.608477652 0.663067462 0.694404295 0.735155956 0.752612539 0.758177345 0.771038567 0.773631365 0.778681796 0.783404882 0.797559353 0.804552425 0.818822425 0.819785905 0.836530384 0.847222622 0.852721296 0.867421635 0.884140220 0.890682986 0.893358036 0.897476033 0.910586061 0.918618018 0.930543416 0.933898667 0.950720339 0.980071227 1.011366887 1.468679314 1.554137566</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">125</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.53289312" y3="-2.18736235" z3="10.87141009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5074071" y3="-1.23961245" z3="10.30356062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.29571718" y3="-1.96478831" z3="11.92857055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5633262" y3="-2.59151154" z3="10.83526237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53408011" y3="-3.18083459" z3="10.28628048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51984869" y3="-4.11752045" z3="10.87970065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51393245" y3="-2.76116235" z3="10.32768666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82488511" y3="-3.55405699" z3="8.83281159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82134123" y3="-4.03056381" z3="8.76446723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.06172941" y3="-4.26965514" z3="8.47960804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66796512" y3="-1.94921846" z3="7.52333787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5974059" y3="-0.23536063" z3="6.05113101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29361529" y3="-0.25483251" z3="6.70727864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.75444185" y3="0.82720267" z3="5.76737987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24030938" y3="-1.03348899" z3="4.78282252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.02789031" y3="-2.07505021" z3="5.0891706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69675876" y3="-0.62968091" z3="4.34850644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34381994" y3="-1.03027262" z3="3.72691404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.501639" y3="0.00560075" z3="3.36219022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28677743" y3="-1.33258579" z3="4.21651108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09438862" y3="-1.95327419" z3="2.53050066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98570487" y3="-1.94189645" z3="1.87364596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.9961787" y3="-2.99341002" z3="2.89652712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13776068" y3="-1.59665214" z3="1.69863914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08663432" y3="-0.54939036" z3="1.34619386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06633881" y3="-1.70302781" z3="2.28580329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22755794" y3="-2.24787106" z3="0.81002291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62169148" y3="-2.53721757" z3="7.82823454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78776507" y3="-0.7338187" z3="6.82470861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79265448" y3="-0.45334392" z3="6.49714142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.880427" y3="-2.44574487" z3="7.97475225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.50026355" y3="0.15387671" z3="11.61365971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.42096462" y3="0.36911984" z3="12.69502461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41540439" y3="0.65609467" z3="11.23732963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.64507688" y3="-0.93440332" z3="11.49143754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.73906555" y3="0.61964373" z3="10.85434474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.63542129" y3="0.11398884" z3="11.25016981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.90078286" y3="1.70224361" z3="11.02950893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.65640233" y3="0.33720388" z3="9.35365036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4266454" y3="-0.73430698" z3="9.20021065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18729691" y3="0.89425413" z3="8.90353735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95147632" y3="0.72132828" z3="8.62684748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05098477" y3="0.60577172" z3="9.16520272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81103564" y3="1.48497398" z3="7.820679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5329,-2.1874,10.8714;-3.5074,-1.2396,10.3036;-3.2957,-1.9648,11.9286;-4.5633,-2.5915,10.8353;-2.5341,-3.1808,10.2863;-2.5198,-4.1175,10.8797;-1.5139,-2.7612,10.3277;-2.8249,-3.5541,8.8328;-3.8213,-4.0306,8.7645;-2.0617,-4.2697,8.4796;-1.668,-1.9492,7.5233;-.5974,-.2354,6.0511;.2936,-.2548,6.7073;-.7544,.8272,5.7674;-.2403,-1.0335,4.7828;-.0279,-2.0751,5.0892;.6968,-.6297,4.3485;-1.3438,-1.0303,3.7269;-1.5016,.0056,3.3622;-2.2868,-1.3326,4.2165;-1.0944,-1.9533,2.5305;-1.9857,-1.9419,1.8736;-.9962,-2.9934,2.8965;.1378,-1.5967,1.6986;.0866,-.5494,1.3462;1.0663,-1.703,2.2858;.2276,-2.2479,.81;-.6217,-2.5372,7.8282;-1.7878,-.7338,6.8247;-2.7927,-.4533,6.4971;-2.8804,-2.4457,7.9748;.5003,.1539,11.6137;.421,.3691,12.695;1.4154,.6561,11.2373;.6451,-.9344,11.4914;-.7391,.6196,10.8543;-1.6354,.114,11.2502;-.9008,1.7022,11.0295;-.6564,.3372,9.3537;-.4266,-.7343,9.2002;.1873,.8943,8.9035;-1.9515,.7213,8.6268;-3.051,.6058,9.1652;-1.811,1.485,7.8207;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604288388899</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003766211258 0.000605686717 0.026963921393 0.008693930426</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021355274 -0.000590909 0.000058319 0.000277013 0.000437138 0.001213077 0.001609674 0.002073294 0.002469249 0.002822481 0.003324347 0.003876236 0.004235963 0.004730407 0.006270814 0.007390650 0.007469380 0.008693632 0.009700125 0.011849972 0.012869115 0.015974326 0.019165678 0.021886880 0.023150640 0.025137092 0.029580565 0.030653100 0.031824320 0.033350909 0.034913726 0.035503371 0.040188998 0.041459666 0.042586164 0.044761911 0.046534813 0.046999891 0.051991997 0.052715681 0.054196196 0.055867245 0.058063667 0.059324892 0.064646867 0.067543649 0.069118465 0.072593057 0.076848807 0.077329606 0.077956163 0.079426430 0.081875771 0.084229661 0.088949684 0.096388426 0.099684899 0.100092717 0.105046198 0.106714304 0.109934816 0.112863250 0.115962242 0.130539466 0.133153105 0.135457933 0.139246181 0.146509778 0.156153749 0.160399517 0.163901287 0.168569222 0.169829239 0.173524852 0.179042651 0.183564463 0.189405500 0.196297864 0.202243425 0.208794993 0.219806675 0.229419218 0.241723921 0.255967044 0.275435425 0.293569066 0.310288515 0.345316612 0.399733586 0.417443099 0.431067338 0.478261183 0.539691295 0.574894229 0.590918354 0.608477990 0.663068726 0.694407057 0.735157256 0.752613335 0.758177929 0.771039975 0.773637697 0.778686836 0.783410904 0.797559550 0.804555762 0.818822476 0.819788646 0.837066185 0.847224515 0.852725264 0.867422059 0.884658743 0.890816052 0.893780526 0.897481487 0.910593919 0.918618641 0.930598184 0.933899836 0.951754210 0.980071900 1.011375746 1.468689054 1.554138154</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">126</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51732288" y3="-2.19509743" z3="10.87563993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.4939829" y3="-1.24593336" z3="10.31005096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2703595" y3="-1.97617423" z3="11.93133471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54955468" y3="-2.5950913" z3="10.84709954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52707747" y3="-3.19086572" z3="10.27970355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51398459" y3="-4.13016131" z3="10.86882163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50456999" y3="-2.77682124" z3="10.3165197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82855931" y3="-3.5566766" z3="8.82635599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82707876" y3="-4.02992169" z3="8.76205069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.06953592" y3="-4.27333049" z3="8.46574299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67390121" y3="-1.94829984" z3="7.51982579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.60001558" y3="-0.23477863" z3="6.05227396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.28871824" y3="-0.26150278" z3="6.70964855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.75147063" y3="0.82885411" z3="5.77304504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24281127" y3="-1.02996647" z3="4.78250235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03606546" y3="-2.0731642" z3="5.0873904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69758848" y3="-0.62945631" z3="4.35207521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34286791" y3="-1.01960285" z3="3.72294907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49000694" y3="0.01673569" z3="3.35382541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29043072" y3="-1.31162543" z3="4.20995827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09749651" y3="-1.94861536" z3="2.53019258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98411223" y3="-1.92628533" z3="1.86779164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01560854" y3="-2.98917421" z3="2.89846288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14484332" y3="-1.60904628" z3="1.70607429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.11124972" y3="-0.56037981" z3="1.35514997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0684871" y3="-1.72999173" z3="2.2983468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.2300103" y3="-2.25997762" z3="0.81698758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62753202" y3="-2.53746812" z3="7.82319528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79285877" y3="-0.73295779" z3="6.82175671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79727916" y3="-0.44927917" z3="6.49517853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88605623" y3="-2.44476439" z3="7.97287733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.49787779" y3="0.16330895" z3="11.61344908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.42572911" y3="0.38678625" z3="12.69561772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41400149" y3="0.64438694" z3="11.22895918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.63244746" y3="-0.92846418" z3="11.50184413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74087712" y3="0.63327744" z3="10.85463439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.64031435" y3="0.13583058" z3="11.25683818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.89254177" y3="1.7169527" z3="11.01963906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66302723" y3="0.33769874" z3="9.35601794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.44002718" y3="-0.73638132" z3="9.20897277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18392407" y3="0.88659693" z3="8.90039651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95841734" y3="0.7220144" z3="8.6308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05755893" y3="0.60279992" z3="9.1685097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81993575" y3="1.48539983" z3="7.82386687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5173,-2.1951,10.8756;-3.494,-1.2459,10.3101;-3.2704,-1.9762,11.9313;-4.5496,-2.5951,10.8471;-2.5271,-3.1909,10.2797;-2.514,-4.1302,10.8688;-1.5046,-2.7768,10.3165;-2.8286,-3.5567,8.8264;-3.8271,-4.0299,8.7621;-2.0695,-4.2733,8.4657;-1.6739,-1.9483,7.5198;-.6,-.2348,6.0523;.2887,-.2615,6.7096;-.7515,.8289,5.773;-.2428,-1.03,4.7825;-.0361,-2.0732,5.0874;.6976,-.6295,4.3521;-1.3429,-1.0196,3.7229;-1.49,.0167,3.3538;-2.2904,-1.3116,4.21;-1.0975,-1.9486,2.5302;-1.9841,-1.9263,1.8678;-1.0156,-2.9892,2.8985;.1448,-1.609,1.7061;.1112,-.5604,1.3551;1.0685,-1.73,2.2983;.23,-2.26,.817;-.6275,-2.5375,7.8232;-1.7929,-.733,6.8218;-2.7973,-.4493,6.4952;-2.8861,-2.4448,7.9729;.4979,.1633,11.6134;.4257,.3868,12.6956;1.414,.6444,11.229;.6324,-.9285,11.5018;-.7409,.6333,10.8546;-1.6403,.1358,11.2568;-.8925,1.717,11.0196;-.663,.3377,9.356;-.44,-.7364,9.209;.1839,.8866,8.9004;-1.9584,.722,8.6308;-3.0576,.6028,9.1685;-1.8199,1.4854,7.8239;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604288775308</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003324484840 0.000526669813 0.031005079881 0.008692894484</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021337083 -0.000462602 0.000066171 0.000282403 0.000433614 0.001218542 0.001617286 0.002071945 0.002469418 0.002820098 0.003321155 0.003879716 0.004241056 0.004738795 0.006290731 0.007401182 0.007514376 0.008715529 0.009700967 0.011854357 0.012869159 0.016001145 0.019168481 0.021911909 0.023157604 0.025137395 0.029580826 0.030663131 0.031824098 0.033352806 0.034914570 0.035503744 0.040189272 0.041556750 0.042588483 0.044762385 0.046535127 0.047000581 0.051993262 0.052718133 0.054199699 0.055866678 0.058066489 0.059326531 0.064645200 0.067544631 0.069135501 0.072611093 0.076858459 0.077332746 0.077967754 0.079428554 0.081877607 0.084240478 0.088949803 0.096404353 0.099685203 0.100093228 0.105053930 0.106715030 0.109935031 0.112864069 0.115963418 0.130544942 0.133166627 0.135460204 0.139249299 0.146512582 0.156157927 0.160617501 0.163994383 0.168886091 0.169973385 0.173557915 0.179079498 0.183599314 0.189405555 0.196297409 0.202264288 0.208815131 0.219810778 0.229441935 0.241783355 0.255966685 0.275473212 0.293589542 0.310291195 0.345326935 0.399739778 0.417462430 0.431068969 0.478264038 0.539709797 0.574895287 0.590925785 0.608478240 0.663080471 0.694414406 0.735186948 0.752613404 0.758181750 0.771049810 0.773644364 0.778689635 0.783416021 0.797561269 0.804557488 0.818822519 0.819791848 0.837237595 0.847224630 0.852728829 0.867434754 0.884858970 0.890881316 0.894630157 0.897512091 0.910617429 0.918620563 0.930678055 0.933900195 0.952579202 0.980072496 1.011386088 1.468688736 1.554143066</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">127</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.50087529" y3="-2.20194099" z3="10.87843462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47788801" y3="-1.25272794" z3="10.3126181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24421516" y3="-1.98432687" z3="11.93215109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.53536179" y3="-2.59681131" z3="10.85813956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52062723" y3="-3.20260216" z3="10.2746064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5114975" y3="-4.14406769" z3="10.8603831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4951564" y3="-2.79583214" z3="10.30811119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83138717" y3="-3.56041034" z3="8.82127419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83306918" y3="-4.02650689" z3="8.76018516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07958135" y3="-4.28083268" z3="8.45385925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67360602" y3="-1.95006008" z3="7.51931379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59965781" y3="-0.2353518" z3="6.0520904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29043324" y3="-0.26081639" z3="6.70964036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.75259695" y3="0.82916436" z3="5.77234621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24349075" y3="-1.02996873" z3="4.78123898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04126009" y3="-2.07491765" z3="5.08367473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.69909895" y3="-0.63197505" z3="4.35310495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34205768" y3="-1.01127684" z3="3.72006667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48028331" y3="0.02626614" z3="3.35185248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29269943" y3="-1.29647793" z3="4.2052575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10269292" y3="-1.94142262" z3="2.52734653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98561667" y3="-1.90711372" z3="1.86067041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.03599453" y3="-2.98319509" z3="2.89460566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14787891" y3="-1.61755823" z3="1.70991002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.13031022" y3="-0.56820372" z3="1.36032171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06646007" y3="-1.75188565" z3="2.30694963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22900429" y3="-2.26882386" z3="0.82031039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62800541" y3="-2.540961" z3="7.8215235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79233716" y3="-0.73392763" z3="6.82187797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79665852" y3="-0.45066412" z3="6.49489156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88622961" y3="-2.44523218" z3="7.97234687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48977497" y3="0.16874737" z3="11.61944029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.42004722" y3="0.40747853" z3="12.69695577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41332893" y3="0.64175095" z3="11.2285189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.61073918" y3="-0.92549072" z3="11.51970959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74195649" y3="0.64656296" z3="10.85494626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.64758249" y3="0.16683566" z3="11.26188601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87965802" y3="1.73555749" z3="11.01036248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66989645" y3="0.335277" z3="9.35894719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45673848" y3="-0.74207428" z3="9.22250949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18027195" y3="0.87194663" z3="8.89510673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96263653" y3="0.72288877" z3="8.63199616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06284548" y3="0.60408549" z3="9.1667709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.82154986" y3="1.48628226" z3="7.82612015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5009,-2.2019,10.8784;-3.4779,-1.2527,10.3126;-3.2442,-1.9843,11.9322;-4.5354,-2.5968,10.8581;-2.5206,-3.2026,10.2746;-2.5115,-4.1441,10.8604;-1.4952,-2.7958,10.3081;-2.8314,-3.5604,8.8213;-3.8331,-4.0265,8.7602;-2.0796,-4.2808,8.4539;-1.6736,-1.9501,7.5193;-.5997,-.2354,6.0521;.2904,-.2608,6.7096;-.7526,.8292,5.7723;-.2435,-1.03,4.7812;-.0413,-2.0749,5.0837;.6991,-.632,4.3531;-1.3421,-1.0113,3.7201;-1.4803,.0263,3.3519;-2.2927,-1.2965,4.2053;-1.1027,-1.9414,2.5273;-1.9856,-1.9071,1.8607;-1.036,-2.9832,2.8946;.1479,-1.6176,1.7099;.1303,-.5682,1.3603;1.0665,-1.7519,2.3069;.229,-2.2688,.8203;-.628,-2.541,7.8215;-1.7923,-.7339,6.8219;-2.7967,-.4507,6.4949;-2.8862,-2.4452,7.9723;.4898,.1687,11.6194;.42,.4075,12.697;1.4133,.6418,11.2285;.6107,-.9255,11.5197;-.742,.6466,10.8549;-1.6476,.1668,11.2619;-.8797,1.7356,11.0104;-.6699,.3353,9.3589;-.4567,-.7421,9.2225;.1803,.8719,8.8951;-1.9626,.7229,8.632;-3.0628,.6041,9.1668;-1.8215,1.4863,7.8261;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604287507363</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002294858744 0.000482260465 0.026473339966 0.008741374827</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021334191 -0.000318311 0.000066088 0.000283204 0.000428310 0.001221168 0.001621101 0.002072237 0.002472210 0.002819780 0.003319912 0.003875001 0.004247886 0.004741522 0.006323519 0.007401846 0.007541424 0.008752338 0.009702040 0.011856068 0.012869541 0.016008865 0.019171238 0.021917487 0.023164489 0.025138502 0.029581079 0.030669549 0.031824196 0.033352593 0.034914996 0.035513620 0.040189561 0.041595956 0.042594382 0.044762692 0.046535200 0.047002079 0.051998194 0.052718066 0.054200418 0.055866398 0.058069812 0.059327819 0.064649127 0.067545248 0.069166253 0.072627487 0.076861110 0.077335506 0.077976243 0.079429776 0.081879547 0.084249712 0.088950157 0.096408288 0.099685482 0.100094771 0.105067575 0.106717424 0.109935097 0.112863953 0.115963202 0.130546679 0.133164537 0.135461544 0.139249959 0.146514222 0.156158034 0.160732889 0.164063767 0.169055455 0.170153898 0.173599990 0.179113742 0.183656226 0.189407651 0.196295740 0.202270398 0.208821600 0.219817352 0.229482038 0.241823564 0.255970358 0.275614875 0.293611785 0.310295746 0.345336259 0.399812042 0.417516884 0.431071881 0.478269887 0.539714838 0.574898593 0.590927277 0.608481669 0.663085318 0.694462682 0.735209663 0.752615097 0.758194389 0.771074496 0.773648242 0.778691797 0.783421283 0.797562610 0.804557571 0.818822717 0.819796456 0.837517287 0.847226100 0.852729266 0.867441497 0.885208383 0.890915326 0.894900442 0.897529936 0.910630551 0.918620781 0.930816516 0.933908958 0.953012251 0.980076391 1.011410513 1.468695706 1.554147499</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">128</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.48719268" y3="-2.20759554" z3="10.88061071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.46148798" y3="-1.25750804" z3="10.31672889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.22619505" y3="-1.99355831" z3="11.93385161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.52381425" y3="-2.59629623" z3="10.86289688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51451573" y3="-3.2124668" z3="10.27144838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.50994848" y3="-4.15573399" z3="10.85445279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.48643645" y3="-2.81244064" z3="10.30359095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8309983" y3="-3.56461223" z3="8.81790653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83400309" y3="-4.02877009" z3="8.75847882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08127493" y3="-4.28541894" z3="8.44620213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67349373" y3="-1.95254735" z3="7.51793453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59684233" y3="-0.23934999" z3="6.0525596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29235095" y3="-0.27441588" z3="6.70915458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.74322659" y3="0.82680512" z3="5.77913606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24441602" y3="-1.02917914" z3="4.77764856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04951945" y3="-2.0767773" z3="5.07525734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70143014" y3="-0.63588076" z3="4.35252995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34072907" y3="-0.99862105" z3="3.71439637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46669331" y3="0.04024724" z3="3.34456042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29546673" y3="-1.27288664" z3="4.19793185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.1092029" y3="-1.93316881" z3="2.52291569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.98924206" y3="-1.88766519" z3="1.85246023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.05774516" y3="-2.97588734" z3="2.89148417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14921419" y3="-1.62688897" z3="1.71030853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.1486984" y3="-0.57691045" z3="1.36157902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06371132" y3="-1.7755135" z3="2.31041061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.22352513" y3="-2.2782851" z3="0.82047648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62855589" y3="-2.5448532" z3="7.81907588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.79104192" y3="-0.73654073" z3="6.82070169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.79495531" y3="-0.4521335" z3="6.49326539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88627591" y3="-2.44665647" z3="7.97228154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4829191" y3="0.18085292" z3="11.62530378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41590709" y3="0.43040613" z3="12.70156555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41017992" y3="0.6337555" z3="11.23049485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.59170941" y3="-0.91620084" z3="11.53738656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74535159" y3="0.66220218" z3="10.85667601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65538602" y3="0.193309" z3="11.26972504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87241102" y3="1.7527226" z3="10.99872144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67596111" y3="0.33390548" z3="9.364294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46985052" y3="-0.74598592" z3="9.23913095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17701322" y3="0.85923992" z3="8.89405935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96765338" y3="0.72134935" z3="8.63532049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06868999" y3="0.60064609" z3="9.16855672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.82644369" y3="1.48469471" z3="7.82890193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4872,-2.2076,10.8806;-3.4615,-1.2575,10.3167;-3.2262,-1.9936,11.9339;-4.5238,-2.5963,10.8629;-2.5145,-3.2125,10.2714;-2.5099,-4.1557,10.8545;-1.4864,-2.8124,10.3036;-2.831,-3.5646,8.8179;-3.834,-4.0288,8.7585;-2.0813,-4.2854,8.4462;-1.6735,-1.9525,7.5179;-.5968,-.2393,6.0526;.2924,-.2744,6.7092;-.7432,.8268,5.7791;-.2444,-1.0292,4.7776;-.0495,-2.0768,5.0753;.7014,-.6359,4.3525;-1.3407,-.9986,3.7144;-1.4667,.0402,3.3446;-2.2955,-1.2729,4.1979;-1.1092,-1.9332,2.5229;-1.9892,-1.8877,1.8525;-1.0577,-2.9759,2.8915;.1492,-1.6269,1.7103;.1487,-.5769,1.3616;1.0637,-1.7755,2.3104;.2235,-2.2783,.8205;-.6286,-2.5449,7.8191;-1.791,-.7365,6.8207;-2.795,-.4521,6.4933;-2.8863,-2.4467,7.9723;.4829,.1809,11.6253;.4159,.4304,12.7016;1.4102,.6338,11.2305;.5917,-.9162,11.5374;-.7454,.6622,10.8567;-1.6554,.1933,11.2697;-.8724,1.7527,10.9987;-.676,.3339,9.3643;-.4699,-.746,9.2391;.177,.8592,8.8941;-1.9677,.7213,8.6353;-3.0687,.6006,9.1686;-1.8264,1.4847,7.8289;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604287207086</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002355937814 0.000370710331 0.035321596684 0.008713037463</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021335606 -0.000194514 0.000093390 0.000301199 0.000436446 0.001228720 0.001621985 0.002072512 0.002469954 0.002820370 0.003314218 0.003876405 0.004254612 0.004747807 0.006328557 0.007401790 0.007578721 0.008780804 0.009707573 0.011857076 0.012869026 0.016009099 0.019173327 0.021918105 0.023170021 0.025142944 0.029581271 0.030675898 0.031823969 0.033352726 0.034915159 0.035526984 0.040189788 0.041644017 0.042602569 0.044763783 0.046535278 0.047002950 0.052003845 0.052718447 0.054200866 0.055868519 0.058074000 0.059328604 0.064649566 0.067545621 0.069182733 0.072633116 0.076864729 0.077336192 0.077974790 0.079431054 0.081880846 0.084258029 0.088952063 0.096416264 0.099685499 0.100095142 0.105072331 0.106717965 0.109935150 0.112863955 0.115963069 0.130546902 0.133163937 0.135461862 0.139250687 0.146515590 0.156158559 0.160782491 0.164128398 0.169123213 0.170233737 0.173647955 0.179152797 0.183694881 0.189411929 0.196296255 0.202277659 0.208830847 0.219819436 0.229502147 0.241823525 0.255971904 0.275665343 0.293645955 0.310295997 0.345356853 0.399821012 0.417540326 0.431073648 0.478272472 0.539714733 0.574904828 0.590927335 0.608482427 0.663089631 0.694467897 0.735229031 0.752616355 0.758204860 0.771077343 0.773648939 0.778692444 0.783422889 0.797563546 0.804558107 0.818822761 0.819799264 0.837549868 0.847226599 0.852734068 0.867456893 0.885362695 0.890933073 0.895345322 0.897561125 0.910652169 0.918625321 0.930841368 0.933909663 0.953314080 0.980087485 1.011432850 1.468743480 1.554153397</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">129</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.47863044" y3="-2.20834396" z3="10.88402566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45072207" y3="-1.25921102" z3="10.31818187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.21249405" y3="-1.9937271" z3="11.93576609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.51749276" y3="-2.59184501" z3="10.87087337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51360051" y3="-3.21972268" z3="10.273633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.51536334" y3="-4.16321084" z3="10.85629702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4826467" y3="-2.82697148" z3="10.30488063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83391506" y3="-3.56922585" z3="8.82045368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83926973" y3="-4.02814231" z3="8.76234975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08889041" y3="-4.29398047" z3="8.44746483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67065796" y3="-1.95984027" z3="7.52169202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.59004568" y3="-0.2510223" z3="6.0537546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.29926996" y3="-0.29247887" z3="6.71067978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.73167789" y3="0.81724225" z3="5.78376281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24150886" y3="-1.03777066" z3="4.77552149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05138347" y3="-2.08772501" z3="5.06866176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70617246" y3="-0.6468556" z3="4.3520673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33781043" y3="-0.99751422" z3="3.71232813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46043482" y3="0.04373536" z3="3.34924916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29318464" y3="-1.27160731" z3="4.19395384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11029681" y3="-1.92479213" z3="2.51484116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99100254" y3="-1.87423423" z3="1.84683237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.0596519" y3="-2.96882713" z3="2.87628026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1452971" y3="-1.61584082" z3="1.70131414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.14353252" y3="-0.56581541" z3="1.35604559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06001195" y3="-1.7654943" z3="2.29943907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21843857" y3="-2.26452873" z3="0.80916116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62696942" y3="-2.55285974" z3="7.82657761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78619548" y3="-0.74542595" z3="6.82054141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78930583" y3="-0.46094881" z3="6.49073358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88503164" y3="-2.45111451" z3="7.97517357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47410785" y3="0.19033855" z3="11.63266416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41044588" y3="0.45475374" z3="12.70556753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40762246" y3="0.63094184" z3="11.23053885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57018698" y3="-0.9097557" z3="11.55828893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74679757" y3="0.67832373" z3="10.85676225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66351585" y3="0.2286306" z3="11.27561582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85813631" y3="1.77424692" z3="10.98517418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68172619" y3="0.32836795" z3="9.36751573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.48649223" y3="-0.75598905" z3="9.25646365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17650372" y3="0.84003164" z3="8.88894331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96923956" y3="0.71827137" z3="8.63384787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07243637" y3="0.5996894" z3="9.1616177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.8234247" y3="1.47963545" z3="7.82683616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4786,-2.2083,10.884;-3.4507,-1.2592,10.3182;-3.2125,-1.9937,11.9358;-4.5175,-2.5918,10.8709;-2.5136,-3.2197,10.2736;-2.5154,-4.1632,10.8563;-1.4826,-2.827,10.3049;-2.8339,-3.5692,8.8205;-3.8393,-4.0281,8.7623;-2.0889,-4.294,8.4475;-1.6707,-1.9598,7.5217;-.59,-.251,6.0538;.2993,-.2925,6.7107;-.7317,.8172,5.7838;-.2415,-1.0378,4.7755;-.0514,-2.0877,5.0687;.7062,-.6469,4.3521;-1.3378,-.9975,3.7123;-1.4604,.0437,3.3492;-2.2932,-1.2716,4.194;-1.1103,-1.9248,2.5148;-1.991,-1.8742,1.8468;-1.0597,-2.9688,2.8763;.1453,-1.6158,1.7013;.1435,-.5658,1.356;1.06,-1.7655,2.2994;.2184,-2.2645,.8092;-.627,-2.5529,7.8266;-1.7862,-.7454,6.8205;-2.7893,-.4609,6.4907;-2.885,-2.4511,7.9752;.4741,.1903,11.6327;.4104,.4548,12.7056;1.4076,.6309,11.2305;.5702,-.9098,11.5583;-.7468,.6783,10.8568;-1.6635,.2286,11.2756;-.8581,1.7742,10.9852;-.6817,.3284,9.3675;-.4865,-.756,9.2565;.1765,.84,8.8889;-1.9692,.7183,8.6338;-3.0724,.5997,9.1616;-1.8234,1.4796,7.8268;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604282499757</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002528566436 0.000484724956 0.029423878749 0.008688260624</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021357308 -0.000285445 0.000053589 0.000394632 0.000579496 0.001270008 0.001623575 0.002076339 0.002474202 0.002823993 0.003310211 0.003888157 0.004258704 0.004745073 0.006328845 0.007401438 0.007578035 0.008786705 0.009710807 0.011857199 0.012869073 0.016013326 0.019176992 0.021920650 0.023179471 0.025148949 0.029581349 0.030678928 0.031825337 0.033353476 0.034915365 0.035554427 0.040190085 0.041658412 0.042603536 0.044765537 0.046535403 0.047003081 0.052005248 0.052720732 0.054205257 0.055869850 0.058102952 0.059329382 0.064650575 0.067546282 0.069221647 0.072650941 0.076869534 0.077337889 0.077979884 0.079431924 0.081881720 0.084285702 0.088952350 0.096421222 0.099685593 0.100095301 0.105104796 0.106724266 0.109936779 0.112865872 0.115963093 0.130547312 0.133168795 0.135462578 0.139252890 0.146519132 0.156159463 0.160785719 0.164144992 0.169138739 0.170240069 0.173671070 0.179190829 0.183745648 0.189435055 0.196306993 0.202284235 0.208835509 0.219876989 0.229512054 0.241855846 0.255998034 0.276018016 0.293714957 0.310296365 0.345380895 0.399923756 0.417544094 0.431074732 0.478273550 0.539715781 0.574906292 0.590928920 0.608482427 0.663089739 0.694586973 0.735234314 0.752618772 0.758208826 0.771158839 0.773649238 0.778693130 0.783423230 0.797563551 0.804558649 0.818825158 0.819799566 0.837710246 0.847228189 0.852765595 0.867477811 0.885440894 0.890933093 0.895341632 0.897561995 0.910659977 0.918631016 0.931037223 0.933923352 0.953324537 0.980098120 1.011441653 1.468764764 1.554154305</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">130</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.48297014" y3="-2.21159978" z3="10.88745544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.44984665" y3="-1.26247793" z3="10.32213124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.22114862" y3="-1.99799692" z3="11.94066012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.52290445" y3="-2.59149583" z3="10.86938493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.51853822" y3="-3.22603078" z3="10.28090296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52445306" y3="-4.16896024" z3="10.86469689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.4867298" y3="-2.83605995" z3="10.31488097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83523916" y3="-3.57656099" z3="8.82694747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84058854" y3="-4.03501166" z3="8.76687802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08951381" y3="-4.30214376" z3="8.45682742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66766676" y3="-1.97077687" z3="7.52699191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.58368692" y3="-0.26606139" z3="6.05604997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.30541107" y3="-0.31576474" z3="6.71304978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.72066126" y3="0.80490104" z3="5.79283845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23901152" y3="-1.04486159" z3="4.77166293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05642644" y3="-2.09873507" z3="5.05581298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71176253" y3="-0.65706434" z3="4.35204736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3345219" y3="-0.98733375" z3="3.70814479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.44685843" y3="0.05774859" z3="3.3515347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.29304908" y3="-1.25550499" z3="4.18778453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11542381" y3="-1.90975378" z3="2.50511313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99543996" y3="-1.84481035" z3="1.83564991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.07730517" y3="-2.95774183" z3="2.86130348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.14683801" y3="-1.60989709" z3="1.69533326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.15760904" y3="-0.55668643" z3="1.35453033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05999869" y3="-1.77323549" z3="2.29477259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21428522" y3="-2.25502694" z3="0.80014745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62532681" y3="-2.56290391" z3="7.83743807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.78163822" y3="-0.76084222" z3="6.81931435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.78410066" y3="-0.47630621" z3="6.48776003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88365041" y3="-2.45963866" z3="7.98006491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47866452" y3="0.20899388" z3="11.63064888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41714473" y3="0.48148499" z3="12.70072938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40939629" y3="0.64589725" z3="11.22456812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57542244" y3="-0.8896102" z3="11.56450848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74597556" y3="0.68733383" z3="10.85473064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65938192" y3="0.23842985" z3="11.27931712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85994817" y3="1.78161502" z3="10.97397742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68495815" y3="0.32726354" z3="9.36952782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4934268" y3="-0.75697797" z3="9.26671519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17192473" y3="0.83165014" z3="8.88612599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.97254339" y3="0.71503492" z3="8.63608005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07543132" y3="0.59617979" z3="9.16380875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.82845393" y3="1.47072613" z3="7.82352465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.483,-2.2116,10.8875;-3.4498,-1.2625,10.3221;-3.2211,-1.998,11.9407;-4.5229,-2.5915,10.8694;-2.5185,-3.226,10.2809;-2.5245,-4.169,10.8647;-1.4867,-2.8361,10.3149;-2.8352,-3.5766,8.8269;-3.8406,-4.035,8.7669;-2.0895,-4.3021,8.4568;-1.6677,-1.9708,7.527;-.5837,-.2661,6.056;.3054,-.3158,6.713;-.7207,.8049,5.7928;-.239,-1.0449,4.7717;-.0564,-2.0987,5.0558;.7118,-.6571,4.352;-1.3345,-.9873,3.7081;-1.4469,.0577,3.3515;-2.293,-1.2555,4.1878;-1.1154,-1.9098,2.5051;-1.9954,-1.8448,1.8356;-1.0773,-2.9577,2.8613;.1468,-1.6099,1.6953;.1576,-.5567,1.3545;1.06,-1.7732,2.2948;.2143,-2.255,.8001;-.6253,-2.5629,7.8374;-1.7816,-.7608,6.8193;-2.7841,-.4763,6.4878;-2.8837,-2.4596,7.9801;.4787,.209,11.6306;.4171,.4815,12.7007;1.4094,.6459,11.2246;.5754,-.8896,11.5645;-.746,.6873,10.8547;-1.6594,.2384,11.2793;-.8599,1.7816,10.974;-.685,.3273,9.3695;-.4934,-.757,9.2667;.1719,.8317,8.8861;-1.9725,.715,8.6361;-3.0754,.5962,9.1638;-1.8285,1.4707,7.8235;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604286733263</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001252305522 0.000300896337 0.030591612383 0.008708138090</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021378754 -0.000406136 0.000090462 0.000400212 0.000839490 0.001385496 0.001624803 0.002080699 0.002489156 0.002825791 0.003309740 0.003911707 0.004263948 0.004746873 0.006330620 0.007405238 0.007578015 0.008790626 0.009714790 0.011857212 0.012868874 0.016019925 0.019178122 0.021925985 0.023181602 0.025153550 0.029581723 0.030678993 0.031826457 0.033353674 0.034916718 0.035564424 0.040190193 0.041670684 0.042610429 0.044778361 0.046535949 0.047003527 0.052005370 0.052720633 0.054223523 0.055877901 0.058109428 0.059329344 0.064648995 0.067549448 0.069261371 0.072646715 0.076875633 0.077339819 0.077991585 0.079432580 0.081882062 0.084287906 0.088952281 0.096421730 0.099685595 0.100095615 0.105122815 0.106729033 0.109936981 0.112871492 0.115963226 0.130552833 0.133196166 0.135465106 0.139260662 0.146534786 0.156161071 0.160785690 0.164151513 0.169142129 0.170240905 0.173697351 0.179208742 0.183741576 0.189461842 0.196310950 0.202302007 0.208846211 0.220155740 0.229537887 0.241859704 0.256066671 0.276221937 0.293798835 0.310307522 0.345400927 0.399988425 0.417555583 0.431079293 0.478297354 0.539723212 0.574906013 0.590929424 0.608485064 0.663099778 0.694597696 0.735246610 0.752619104 0.758209029 0.771192272 0.773660945 0.778701867 0.783465324 0.797563885 0.804560256 0.818826504 0.819799813 0.837777694 0.847228714 0.852850694 0.867513294 0.885503723 0.890934044 0.895342954 0.897570930 0.910663500 0.918694745 0.931167752 0.933933304 0.953336252 0.980102730 1.011563807 1.468789439 1.554160447</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">131</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.4887406" y3="-2.20716418" z3="10.88967868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45315113" y3="-1.25983578" z3="10.32154775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.22873224" y3="-1.99080554" z3="11.94258748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.52922131" y3="-2.58554096" z3="10.87070424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52448253" y3="-3.22482588" z3="10.28851633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.533015" y3="-4.16569043" z3="10.87552671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.49216339" y3="-2.83603999" z3="10.32338007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83854048" y3="-3.58006866" z3="8.83520029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84434697" y3="-4.03813553" z3="8.77477008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09250422" y3="-4.3077232" z3="8.46952754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66631374" y3="-1.98029325" z3="7.53169821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57680516" y3="-0.28144608" z3="6.05832607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.3109324" y3="-0.3406985" z3="6.71516277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70633444" y3="0.7912165" z3="5.80046757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23570706" y3="-1.05589249" z3="4.77060728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05594584" y3="-2.11116129" z3="5.05037691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71561577" y3="-0.66931473" z3="4.35152623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33181465" y3="-0.99240022" z3="3.70860522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.44734658" y3="0.05488407" z3="3.36072859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28863772" y3="-1.26656979" z3="4.18722576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.11130913" y3="-1.90408945" z3="2.4975371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99445878" y3="-1.84232594" z3="1.8337321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.0617686" y3="-2.95307542" z3="2.84481746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1415584" y3="-1.58719681" z3="1.68263811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.13835985" y3="-0.53390689" z3="1.34779653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05844312" y3="-1.74264388" z3="2.27571505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.21164448" y3="-2.2269422" z3="0.78391479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62519516" y3="-2.57231201" z3="7.84772748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77736574" y3="-0.77333759" z3="6.81880418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77890638" y3="-0.48709184" z3="6.48574256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88415064" y3="-2.46624238" z3="7.9840373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47840547" y3="0.21857559" z3="11.63194061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41755122" y3="0.49712536" z3="12.70141182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4101226" y3="0.6518247" z3="11.22246577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.574248" y3="-0.88143571" z3="11.57236573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74502287" y3="0.69484259" z3="10.85285637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.6605063" y3="0.25112231" z3="11.28144107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85549728" y3="1.79171527" z3="10.96431723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68494253" y3="0.32193259" z3="9.36972013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49835234" y3="-0.76489752" z3="9.27399765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17530305" y3="0.81994928" z3="8.88248746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.97057214" y3="0.71016621" z3="8.63385584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0746637" y3="0.59328586" z3="9.15890484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.82403153" y3="1.46185111" z3="7.81798186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.4887,-2.2072,10.8897;-3.4532,-1.2598,10.3215;-3.2287,-1.9908,11.9426;-4.5292,-2.5855,10.8707;-2.5245,-3.2248,10.2885;-2.533,-4.1657,10.8755;-1.4922,-2.836,10.3234;-2.8385,-3.5801,8.8352;-3.8443,-4.0381,8.7748;-2.0925,-4.3077,8.4695;-1.6663,-1.9803,7.5317;-.5768,-.2814,6.0583;.3109,-.3407,6.7152;-.7063,.7912,5.8005;-.2357,-1.0559,4.7706;-.0559,-2.1112,5.0504;.7156,-.6693,4.3515;-1.3318,-.9924,3.7086;-1.4473,.0549,3.3607;-2.2886,-1.2666,4.1872;-1.1113,-1.9041,2.4975;-1.9945,-1.8423,1.8337;-1.0618,-2.9531,2.8448;.1416,-1.5872,1.6826;.1384,-.5339,1.3478;1.0584,-1.7426,2.2757;.2116,-2.2269,.7839;-.6252,-2.5723,7.8477;-1.7774,-.7733,6.8188;-2.7789,-.4871,6.4857;-2.8842,-2.4662,7.984;.4784,.2186,11.6319;.4176,.4971,12.7014;1.4101,.6518,11.2225;.5742,-.8814,11.5724;-.745,.6948,10.8529;-1.6605,.2511,11.2814;-.8555,1.7917,10.9643;-.6849,.3219,9.3697;-.4984,-.7649,9.274;.1753,.8199,8.8825;-1.9706,.7102,8.6339;-3.0747,.5933,9.1589;-1.824,1.4619,7.818;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604292490962</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001466738905 0.000293269706 0.027839130148 0.008715410620</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021376791 -0.000104321 0.000072869 0.000400707 0.000849067 0.001416345 0.001623927 0.002096310 0.002517497 0.002825342 0.003313934 0.003928814 0.004261789 0.004749551 0.006341556 0.007406885 0.007577891 0.008793447 0.009712543 0.011856627 0.012869077 0.016024655 0.019179137 0.021931184 0.023183530 0.025154129 0.029581462 0.030680662 0.031828143 0.033353993 0.034916886 0.035566828 0.040190203 0.041668276 0.042606832 0.044779384 0.046536253 0.047003530 0.052007772 0.052724715 0.054229310 0.055878110 0.058119280 0.059329782 0.064653314 0.067551725 0.069285982 0.072648142 0.076883115 0.077343396 0.077994649 0.079433146 0.081882048 0.084290255 0.088952806 0.096424546 0.099685651 0.100095626 0.105133864 0.106731279 0.109939344 0.112879000 0.115963236 0.130555902 0.133207548 0.135466879 0.139263802 0.146547682 0.156162367 0.160790030 0.164153662 0.169145407 0.170276811 0.173696109 0.179213215 0.183740660 0.189490638 0.196324311 0.202310530 0.208849883 0.220309150 0.229544271 0.241869481 0.256107254 0.276528149 0.293846759 0.310318780 0.345413918 0.400033601 0.417589697 0.431087520 0.478321095 0.539726197 0.574906438 0.590931826 0.608489073 0.663107387 0.694619555 0.735248958 0.752619277 0.758211038 0.771225698 0.773668943 0.778704112 0.783475246 0.797563992 0.804561706 0.818833367 0.819802288 0.837839603 0.847230003 0.852945949 0.867536903 0.885507890 0.890962406 0.895549031 0.897581833 0.910663472 0.918710181 0.931192818 0.933934044 0.953372541 0.980102751 1.011567013 1.468790086 1.554172737</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">132</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.50401035" y3="-2.20124926" z3="10.88931588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.46692217" y3="-1.25623249" z3="10.31742418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25122604" y3="-1.97958069" z3="11.94308638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54334532" y3="-2.58268168" z3="10.86538318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53328628" y3="-3.21883581" z3="10.29847885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.54161147" y3="-4.15642878" z3="10.89044237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50264101" y3="-2.82647966" z3="10.33649472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8385664" y3="-3.5828888" z3="8.8454029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84304194" y3="-4.04299406" z3="8.78191318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08925209" y3="-4.31105709" z3="8.48767552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66214526" y3="-1.98925942" z3="7.53835105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57002646" y3="-0.29516005" z3="6.06042126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31794274" y3="-0.3580597" z3="6.71733691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69714082" y3="0.77889795" z3="5.80509637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23209268" y3="-1.06614404" z3="4.76971012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.05162568" y3="-2.12265489" z3="5.04502689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71821093" y3="-0.67788524" z3="4.34963046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33151137" y3="-0.99846022" z3="3.71120971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45239237" y3="0.05148177" z3="3.37277452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28603403" y3="-1.28074215" z3="4.19021706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.1109456" y3="-1.89856771" z3="2.49173339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99795989" y3="-1.83633825" z3="1.83225838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.05385575" y3="-2.9508618" z3="2.83051686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13756276" y3="-1.56696145" z3="1.67396435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.12652138" y3="-0.50993732" z3="1.3470048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05882064" y3="-1.72166361" z3="2.2622648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20761878" y3="-2.19910307" z3="0.76970652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.62202431" y3="-2.57956794" z3="7.86047493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77159569" y3="-0.78542455" z3="6.82006545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.7724716" y3="-0.50038747" z3="6.4842459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.88145965" y3="-2.47379759" z3="7.98817238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48314021" y3="0.22415175" z3="11.62906676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.41810262" y3="0.49935602" z3="12.6982209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41089774" y3="0.66809519" z3="11.22264691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58956992" y3="-0.87365691" z3="11.56646122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74389391" y3="0.69076106" z3="10.84969293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65520394" y3="0.23968109" z3="11.27645419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.86413904" y3="1.78561785" z3="10.96262333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68017874" y3="0.3217431" z3="9.36667566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.48897396" y3="-0.76327797" z3="9.27000792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.17808908" y3="0.82338111" z3="8.88188237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.96590443" y3="0.70638779" z3="8.62910574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07001408" y3="0.592416" z3="9.1542739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.81934626" y3="1.45375631" z3="7.80946177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.504,-2.2012,10.8893;-3.4669,-1.2562,10.3174;-3.2512,-1.9796,11.9431;-4.5433,-2.5827,10.8654;-2.5333,-3.2188,10.2985;-2.5416,-4.1564,10.8904;-1.5026,-2.8265,10.3365;-2.8386,-3.5829,8.8454;-3.843,-4.043,8.7819;-2.0893,-4.3111,8.4877;-1.6621,-1.9893,7.5384;-.57,-.2952,6.0604;.3179,-.3581,6.7173;-.6971,.7789,5.8051;-.2321,-1.0661,4.7697;-.0516,-2.1227,5.045;.7182,-.6779,4.3496;-1.3315,-.9985,3.7112;-1.4524,.0515,3.3728;-2.286,-1.2807,4.1902;-1.1109,-1.8986,2.4917;-1.998,-1.8363,1.8323;-1.0539,-2.9509,2.8305;.1376,-1.567,1.674;.1265,-.5099,1.347;1.0588,-1.7217,2.2623;.2076,-2.1991,.7697;-.622,-2.5796,7.8605;-1.7716,-.7854,6.8201;-2.7725,-.5004,6.4842;-2.8815,-2.4738,7.9882;.4831,.2242,11.6291;.4181,.4994,12.6982;1.4109,.6681,11.2226;.5896,-.8737,11.5665;-.7439,.6908,10.8497;-1.6552,.2397,11.2765;-.8641,1.7856,10.9626;-.6802,.3217,9.3667;-.489,-.7633,9.27;.1781,.8234,8.8819;-1.9659,.7064,8.6291;-3.07,.5924,9.1543;-1.8193,1.4538,7.8095;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604299227022</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000694035352 0.000151122032 0.036055425957 0.008685228311</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021379708 0.000013333 0.000098201 0.000283948 0.000404233 0.001107787 0.001614051 0.002065866 0.002478811 0.002812254 0.003254246 0.003822468 0.004248174 0.004750078 0.006344559 0.007407371 0.007578395 0.008792692 0.009708385 0.011854979 0.012869294 0.016022883 0.019173993 0.021931193 0.023183835 0.025153625 0.029579656 0.030680185 0.031828587 0.033355273 0.034917255 0.035566369 0.040189943 0.041657719 0.042605919 0.044781312 0.046536813 0.047002080 0.052007802 0.052724066 0.054234407 0.055877767 0.058114753 0.059327437 0.064652340 0.067552946 0.069297267 0.072636899 0.076881340 0.077345185 0.077985552 0.079431712 0.081880604 0.084283480 0.088952997 0.096388514 0.099685752 0.100095247 0.105126858 0.106730588 0.109938675 0.112879897 0.115962987 0.130556472 0.133211398 0.135466018 0.139264301 0.146548047 0.156163198 0.160792658 0.164097373 0.169140621 0.170288774 0.173696249 0.179215146 0.183741139 0.189494966 0.196324095 0.202303004 0.208847096 0.220374661 0.229527760 0.241867231 0.256121435 0.276248364 0.293855343 0.310323616 0.345409162 0.400021829 0.417601782 0.431089595 0.478328285 0.539723371 0.574902263 0.590931190 0.608495774 0.663107265 0.694494551 0.735250388 0.752624841 0.758211746 0.771136314 0.773672515 0.778705112 0.783479101 0.797564264 0.804561760 0.818832400 0.819801084 0.837847270 0.847230631 0.852952072 0.867535231 0.885506162 0.890948354 0.895348093 0.897580188 0.910629229 0.918733408 0.931230316 0.933926329 0.953317606 0.980098979 1.011561621 1.468796293 1.554180743</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">133</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.50998006" y3="-2.19360299" z3="10.88807066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.4716167" y3="-1.25011621" z3="10.31370669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26071237" y3="-1.96889667" z3="11.94197914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54891571" y3="-2.57588656" z3="10.86182221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53650889" y3="-3.21207827" z3="10.3031292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.54523661" y3="-4.14796606" z3="10.89800615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50628428" y3="-2.81826358" z3="10.34285556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83762874" y3="-3.58076892" z3="8.85033257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.84154665" y3="-4.0420957" z3="8.78549383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08657953" y3="-4.30904125" z3="8.49646406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65951528" y3="-1.99047694" z3="7.54059935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56691261" y3="-0.29862835" z3="6.05991815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32169792" y3="-0.36033535" z3="6.71563098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69396076" y3="0.77467084" z3="5.80251377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23016503" y3="-1.07224643" z3="4.77050902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0439258" y3="-2.1269267" z3="5.04820983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71684052" y3="-0.68088727" z3="4.34609137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33317558" y3="-1.01375653" z3="3.71551173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46827238" y3="0.03584214" z3="3.38171284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28268206" y3="-1.30945197" z3="4.19635094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10464679" y3="-1.9056813" z3="2.49140818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99763355" y3="-1.85786495" z3="1.83915021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02492954" y3="-2.95778792" z3="2.82540213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.13037055" y3="-1.54715968" z3="1.6646651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.09561238" y3="-0.48981287" z3="1.34190732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05932478" y3="-1.68560818" z3="2.24422211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20550298" y3="-2.17457223" z3="0.75771433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61999733" y3="-2.58125093" z3="7.86322557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76790469" y3="-0.78620134" z3="6.82235346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76869705" y3="-0.50202711" z3="6.48524505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87930467" y3="-2.47380864" z3="7.99001872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47810048" y3="0.21624153" z3="11.63205495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40946514" y3="0.48861932" z3="12.70174373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.41048081" y3="0.65611917" z3="11.23093319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.5793192" y3="-0.88228211" z3="11.5670549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74265696" y3="0.69118869" z3="10.84805602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65924657" y3="0.24642495" z3="11.27169989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85575321" y3="1.78728719" z3="10.96027296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.6758366" y3="0.32018401" z3="9.36573526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.48586347" y3="-0.76545008" z3="9.27017863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18500333" y3="0.82015224" z3="8.88283958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95948457" y3="0.70541198" z3="8.62403824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06488775" y3="0.59509767" z3="9.14860249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80961805" y3="1.45308069" z3="7.80494278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.51,-2.1936,10.8881;-3.4716,-1.2501,10.3137;-3.2607,-1.9689,11.942;-4.5489,-2.5759,10.8618;-2.5365,-3.2121,10.3031;-2.5452,-4.148,10.898;-1.5063,-2.8183,10.3429;-2.8376,-3.5808,8.8503;-3.8415,-4.0421,8.7855;-2.0866,-4.309,8.4965;-1.6595,-1.9905,7.5406;-.5669,-.2986,6.0599;.3217,-.3603,6.7156;-.694,.7747,5.8025;-.2302,-1.0722,4.7705;-.0439,-2.1269,5.0482;.7168,-.6809,4.3461;-1.3332,-1.0138,3.7155;-1.4683,.0358,3.3817;-2.2827,-1.3095,4.1964;-1.1046,-1.9057,2.4914;-1.9976,-1.8579,1.8392;-1.0249,-2.9578,2.8254;.1304,-1.5472,1.6647;.0956,-.4898,1.3419;1.0593,-1.6856,2.2442;.2055,-2.1746,.7577;-.62,-2.5813,7.8632;-1.7679,-.7862,6.8224;-2.7687,-.502,6.4852;-2.8793,-2.4738,7.99;.4781,.2162,11.6321;.4095,.4886,12.7017;1.4105,.6561,11.2309;.5793,-.8823,11.5671;-.7427,.6912,10.8481;-1.6592,.2464,11.2717;-.8558,1.7873,10.9603;-.6758,.3202,9.3657;-.4859,-.7655,9.2702;.185,.8202,8.8828;-1.9595,.7054,8.624;-3.0649,.5951,9.1486;-1.8096,1.4531,7.8049;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604303586918</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000467158955 0.000082613021 0.027062049413 0.009916076029</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021361387 -0.000060762 0.000126889 0.000218476 0.000390428 0.001081067 0.001613709 0.002067178 0.002480281 0.002813122 0.003269694 0.003838934 0.004248743 0.004748356 0.006346766 0.007408890 0.007578971 0.008790026 0.009708012 0.011854249 0.012870497 0.016023732 0.019173703 0.021931447 0.023185221 0.025154893 0.029579484 0.030681815 0.031828899 0.033356067 0.034917772 0.035566133 0.040189711 0.041663447 0.042618840 0.044784923 0.046536928 0.047002633 0.052008150 0.052724352 0.054235715 0.055876148 0.058118814 0.059327331 0.064655537 0.067552838 0.069297972 0.072641067 0.076880786 0.077345668 0.077986154 0.079430652 0.081879510 0.084295174 0.088953909 0.096390524 0.099685854 0.100094837 0.105127536 0.106730500 0.109938577 0.112880082 0.115963233 0.130556870 0.133212280 0.135466337 0.139264122 0.146549156 0.156164571 0.160792782 0.164103876 0.169140555 0.170289342 0.173695172 0.179214701 0.183741738 0.189506556 0.196333505 0.202312304 0.208843774 0.220377603 0.229520490 0.241868695 0.256128282 0.276292045 0.293855230 0.310324489 0.345410087 0.400028291 0.417604461 0.431089397 0.478329620 0.539723456 0.574918157 0.590932196 0.608496535 0.663107333 0.694507692 0.735251412 0.752625291 0.758212329 0.771139133 0.773673133 0.778705794 0.783479568 0.797564340 0.804561870 0.818832481 0.819801103 0.837852769 0.847230787 0.852952377 0.867535412 0.885512881 0.890950368 0.895363691 0.897581182 0.910629407 0.918734711 0.931237986 0.933928163 0.953327951 0.980100001 1.011578504 1.468846934 1.554194550</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">134</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.52068611" y3="-2.18528399" z3="10.88800224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48029009" y3="-1.24540332" z3="10.30806694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.27817197" y3="-1.95353239" z3="11.9419795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.55868999" y3="-2.56981791" z3="10.85791667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.54171312" y3="-3.20535906" z3="10.31517467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.55138131" y3="-4.13719454" z3="10.91630515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.51271524" y3="-2.80863969" z3="10.35774426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8341521" y3="-3.58451804" z3="8.86332031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83686578" y3="-4.04792693" z3="8.79610594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08002562" y3="-4.31384585" z3="8.51846501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6515348" y3="-2.00183834" z3="7.54853257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5558524" y3="-0.31657968" z3="6.06179422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.33301125" y3="-0.3867333" z3="6.71644147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.67715789" y3="0.75890968" z3="5.80989562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22569448" y3="-1.08449947" z3="4.7672582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04335882" y3="-2.14184774" z3="5.03775229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.72192661" y3="-0.69464791" z3="4.34269302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33152923" y3="-1.01462375" z3="3.71578211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46585732" y3="0.0382964" z3="3.39233048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28014425" y3="-1.31320596" z3="4.19652208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10826455" y3="-1.89522002" z3="2.48266087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-2.00477413" y3="-1.84287281" z3="1.83543953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.02544033" y3="-2.95022239" z3="2.80695605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12187794" y3="-1.52751758" z3="1.652696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08311471" y3="-0.46775811" z3="1.3383413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05408683" y3="-1.66831173" z3="2.22657628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.19381086" y3="-2.14751018" z3="0.74044502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61294454" y3="-2.5900929" z3="7.87888829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.75820304" y3="-0.80133836" z3="6.82352265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.75830702" y3="-0.51918188" z3="6.48285265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87286692" y3="-2.48343705" z3="7.99547225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47426264" y3="0.22289113" z3="11.63478252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39785702" y3="0.49203271" z3="12.70486208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40451252" y3="0.67182631" z3="11.23981751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58549345" y3="-0.87428065" z3="11.56776343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74681506" y3="0.688329" z3="10.84562452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66151835" y3="0.23757371" z3="11.26541803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.86805171" y3="1.78306054" z3="10.95729588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67177114" y3="0.31870694" z3="9.36290692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47613201" y3="-0.76553043" z3="9.26850804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18830147" y3="0.82272286" z3="8.88328827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95382254" y3="0.69924013" z3="8.61571712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06064418" y3="0.59244647" z3="9.13709791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80124104" y3="1.4421234" z3="7.79335698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5207,-2.1853,10.888;-3.4803,-1.2454,10.3081;-3.2782,-1.9535,11.942;-4.5587,-2.5698,10.8579;-2.5417,-3.2054,10.3152;-2.5514,-4.1372,10.9163;-1.5127,-2.8086,10.3577;-2.8342,-3.5845,8.8633;-3.8369,-4.0479,8.7961;-2.08,-4.3138,8.5185;-1.6515,-2.0018,7.5485;-.5559,-.3166,6.0618;.333,-.3867,6.7164;-.6772,.7589,5.8099;-.2257,-1.0845,4.7673;-.0434,-2.1418,5.0378;.7219,-.6946,4.3427;-1.3315,-1.0146,3.7158;-1.4659,.0383,3.3923;-2.2801,-1.3132,4.1965;-1.1083,-1.8952,2.4827;-2.0048,-1.8429,1.8354;-1.0254,-2.9502,2.807;.1219,-1.5275,1.6527;.0831,-.4678,1.3383;1.0541,-1.6683,2.2266;.1938,-2.1475,.7404;-.6129,-2.5901,7.8789;-1.7582,-.8013,6.8235;-2.7583,-.5192,6.4829;-2.8729,-2.4834,7.9955;.4743,.2229,11.6348;.3979,.492,12.7049;1.4045,.6718,11.2398;.5855,-.8743,11.5678;-.7468,.6883,10.8456;-1.6615,.2376,11.2654;-.8681,1.7831,10.9573;-.6718,.3187,9.3629;-.4761,-.7655,9.2685;.1883,.8227,8.8833;-1.9538,.6992,8.6157;-3.0606,.5924,9.1371;-1.8012,1.4421,7.7934;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604301182801</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000911534546 0.000162503611 0.026452062014 0.008729863683</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021359293 0.000041658 0.000122924 0.000219165 0.000390783 0.001078728 0.001613108 0.002070302 0.002479639 0.002813256 0.003274449 0.003840619 0.004248430 0.004749149 0.006347389 0.007409305 0.007578760 0.008792691 0.009705932 0.011853786 0.012871171 0.016025116 0.019174229 0.021931750 0.023187035 0.025155953 0.029579175 0.030682268 0.031829224 0.033356325 0.034918418 0.035566946 0.040189657 0.041663790 0.042629028 0.044786750 0.046537069 0.047003012 0.052008590 0.052724963 0.054235796 0.055877370 0.058119342 0.059326313 0.064656608 0.067552927 0.069295219 0.072640132 0.076881267 0.077346410 0.077986061 0.079429943 0.081878673 0.084297894 0.088954299 0.096391134 0.099685878 0.100094704 0.105123416 0.106729883 0.109938318 0.112880151 0.115963160 0.130556832 0.133212666 0.135466455 0.139264865 0.146549046 0.156166266 0.160792443 0.164103945 0.169140022 0.170289489 0.173695964 0.179217365 0.183741398 0.189516107 0.196343104 0.202322089 0.208842656 0.220380778 0.229516957 0.241871195 0.256125613 0.276296764 0.293855581 0.310324689 0.345410140 0.400031913 0.417605286 0.431089030 0.478329419 0.539723467 0.574932222 0.590932208 0.608496665 0.663107791 0.694504475 0.735252530 0.752625312 0.758213001 0.771138859 0.773673155 0.778706075 0.783480229 0.797564421 0.804562124 0.818832597 0.819801030 0.837850180 0.847231502 0.852952894 0.867535639 0.885514973 0.890951497 0.895376671 0.897583506 0.910629431 0.918736531 0.931267138 0.933931305 0.953346329 0.980101310 1.011590145 1.468900671 1.554198953</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">135</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51182942" y3="-2.19002028" z3="10.8870425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47335226" y3="-1.24739811" z3="10.31131737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26418273" y3="-1.96351984" z3="11.9409241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5503632" y3="-2.57333784" z3="10.85996792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53670122" y3="-3.20842729" z3="10.30490025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.54524469" y3="-4.14335848" z3="10.90116294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50695298" y3="-2.81352458" z3="10.3452518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83577514" y3="-3.57962676" z3="8.85239508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8392014" y3="-4.04186196" z3="8.78703561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08373059" y3="-4.30770031" z3="8.50039547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65759503" y3="-1.9905245" z3="7.54145386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.56538597" y3="-0.29937062" z3="6.05951351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.32359948" y3="-0.36028124" z3="6.71488631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.69279595" y3="0.77369861" z3="5.80123157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22930192" y3="-1.0739165" z3="4.77050293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.04140774" y3="-2.12817805" z3="5.04887809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71673229" y3="-0.68167353" z3="4.34465981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33377643" y3="-1.01774121" z3="3.7168359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47248013" y3="0.03176774" z3="3.38433611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28180004" y3="-1.31681914" z3="4.19845882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10415002" y3="-1.90753826" z3="2.49152013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99891147" y3="-1.86332447" z3="1.8413302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01886368" y3="-2.95956502" z3="2.82444541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12723465" y3="-1.54255937" z3="1.66230361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08680649" y3="-0.48509378" z3="1.34051633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05825342" y3="-1.67710631" z3="2.23960546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20303684" y3="-2.16877216" z3="0.75460822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61806409" y3="-2.58096395" z3="7.86436378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76603063" y3="-0.78613401" z3="6.82308807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.76683243" y3="-0.5028583" z3="6.48533206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87732995" y3="-2.47386663" z3="7.9905723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47534595" y3="0.21198852" z3="11.63355173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40391234" y3="0.48119245" z3="12.70384413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40847991" y3="0.65333311" z3="11.23611791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57715177" y3="-0.88628687" z3="11.56562145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74377392" y3="0.68839751" z3="10.84781314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66110323" y3="0.24303544" z3="11.26861249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85708063" y3="1.78408543" z3="10.96184845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67390506" y3="0.32059373" z3="9.36475144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.48172152" y3="-0.76437695" z3="9.26791166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18675004" y3="0.82280894" z3="8.88405157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95705129" y3="0.70513528" z3="8.62137858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06289646" y3="0.59613127" z3="9.14532919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80607371" y3="1.45294561" z3="7.8027056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5118,-2.19,10.887;-3.4734,-1.2474,10.3113;-3.2642,-1.9635,11.9409;-4.5504,-2.5733,10.86;-2.5367,-3.2084,10.3049;-2.5452,-4.1434,10.9012;-1.507,-2.8135,10.3453;-2.8358,-3.5796,8.8524;-3.8392,-4.0419,8.787;-2.0837,-4.3077,8.5004;-1.6576,-1.9905,7.5415;-.5654,-.2994,6.0595;.3236,-.3603,6.7149;-.6928,.7737,5.8012;-.2293,-1.0739,4.7705;-.0414,-2.1282,5.0489;.7167,-.6817,4.3447;-1.3338,-1.0177,3.7168;-1.4725,.0318,3.3843;-2.2818,-1.3168,4.1985;-1.1042,-1.9075,2.4915;-1.9989,-1.8633,1.8413;-1.0189,-2.9596,2.8244;.1272,-1.5426,1.6623;.0868,-.4851,1.3405;1.0583,-1.6771,2.2396;.203,-2.1688,.7546;-.6181,-2.581,7.8644;-1.766,-.7861,6.8231;-2.7668,-.5029,6.4853;-2.8773,-2.4739,7.9906;.4753,.212,11.6336;.4039,.4812,12.7038;1.4085,.6533,11.2361;.5772,-.8863,11.5656;-.7438,.6884,10.8478;-1.6611,.243,11.2686;-.8571,1.7841,10.9618;-.6739,.3206,9.3648;-.4817,-.7644,9.2679;.1868,.8228,8.8841;-1.9571,.7051,8.6214;-3.0629,.5961,9.1453;-1.8061,1.4529,7.8027;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604304188101</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000128494194 0.000027776540 0.019418038078 0.005816264821</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.003502103770 0.002334735847</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021331243 0.000039794 0.000085335 0.000217603 0.000368670 0.001060969 0.001614510 0.002068376 0.002480116 0.002816313 0.003267977 0.003825208 0.004248782 0.004749720 0.006345625 0.007409315 0.007576622 0.008789751 0.009709353 0.011854603 0.012870929 0.016024201 0.019173275 0.021931647 0.023185645 0.025155666 0.029578789 0.030681851 0.031829052 0.033356781 0.034918146 0.035566625 0.040189554 0.041660891 0.042632038 0.044785957 0.046537082 0.047002915 0.052008401 0.052724408 0.054234185 0.055874118 0.058117514 0.059327706 0.064657051 0.067552870 0.069297359 0.072637931 0.076880564 0.077346079 0.077986281 0.079430359 0.081879195 0.084296410 0.088954294 0.096390610 0.099685926 0.100094595 0.105126132 0.106730217 0.109938576 0.112880185 0.115963011 0.130556985 0.133212157 0.135466525 0.139264459 0.146549793 0.156165101 0.160792946 0.164102403 0.169140258 0.170289407 0.173694316 0.179213110 0.183741277 0.189515452 0.196341340 0.202322914 0.208842428 0.220374272 0.229513650 0.241871606 0.256125993 0.276318055 0.293855011 0.310324825 0.345407342 0.400031810 0.417605250 0.431089322 0.478329789 0.539723150 0.574928540 0.590930548 0.608495992 0.663107486 0.694488231 0.735251872 0.752625176 0.758212931 0.771132435 0.773673160 0.778705885 0.783478842 0.797563271 0.804561901 0.818832530 0.819800821 0.837849934 0.847229789 0.852949696 0.867534717 0.885515010 0.890951582 0.895376726 0.897582499 0.910629582 0.918732988 0.931266107 0.933931556 0.953346004 0.980102049 1.011589764 1.468893495 1.554198839</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">136</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.50821523" y3="-2.1905681" z3="10.88527287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47111216" y3="-1.24666485" z3="10.31146753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25864564" y3="-1.96625046" z3="11.93919167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54666134" y3="-2.57423257" z3="10.85931576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53373292" y3="-3.20738315" z3="10.29913883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5406292" y3="-4.14366844" z3="10.8934492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50403686" y3="-2.81202224" z3="10.33840476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8354511" y3="-3.57552555" z3="8.84636028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83888679" y3="-4.03778501" z3="8.78182328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08396037" y3="-4.30266026" z3="8.49125035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66026505" y3="-1.9827449" z3="7.53724317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57122228" y3="-0.2874065" z3="6.05767823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31817376" y3="-0.3408632" z3="6.71335642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70375426" y3="0.78382358" z3="5.79447828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23116249" y3="-1.066803" z3="4.77262502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03820008" y3="-2.11868596" z3="5.05657277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71309504" y3="-0.67211648" z3="4.34510051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33559626" y3="-1.02151871" z3="3.71828332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47908388" y3="0.02547513" z3="3.37976349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28237393" y3="-1.32228328" z3="4.20128533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10131629" y3="-1.91720976" z3="2.49806617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99594317" y3="-1.88078159" z3="1.84713779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01131446" y3="-2.96694779" z3="2.83698783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12877096" y3="-1.55126361" z3="1.66743879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08392885" y3="-0.49568857" z3="1.34012914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06012252" y3="-1.67881719" z3="2.24578066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20760795" y3="-2.1818912" z3="0.76304735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61986487" y3="-2.57393572" z3="7.85604276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77023043" y3="-0.77571848" z3="6.82315852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77166101" y3="-0.49239915" z3="6.48724037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87889441" y3="-2.46775947" z3="7.98707426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47518362" y3="0.20171336" z3="11.63355336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.40470721" y3="0.46735056" z3="12.70485922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40964695" y3="0.64160732" z3="11.23753443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57370396" y3="-0.89673284" z3="11.56175426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74269903" y3="0.6841871" z3="10.84958585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66114497" y3="0.23928259" z3="11.26831076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85329028" y3="1.77964022" z3="10.96811674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67346107" y3="0.32222406" z3="9.36495523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4808154" y3="-0.76228162" z3="9.26395253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1868207" y3="0.82669658" z3="8.88589146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95727887" y3="0.70885091" z3="8.62339403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06264002" y3="0.59912817" z3="9.14855099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80657922" y3="1.46001738" z3="7.80774927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5082,-2.1906,10.8853;-3.4711,-1.2467,10.3115;-3.2586,-1.9663,11.9392;-4.5467,-2.5742,10.8593;-2.5337,-3.2074,10.2991;-2.5406,-4.1437,10.8934;-1.504,-2.812,10.3384;-2.8355,-3.5755,8.8464;-3.8389,-4.0378,8.7818;-2.084,-4.3027,8.4913;-1.6603,-1.9827,7.5372;-.5712,-.2874,6.0577;.3182,-.3409,6.7134;-.7038,.7838,5.7945;-.2312,-1.0668,4.7726;-.0382,-2.1187,5.0566;.7131,-.6721,4.3451;-1.3356,-1.0215,3.7183;-1.4791,.0255,3.3798;-2.2824,-1.3223,4.2013;-1.1013,-1.9172,2.4981;-1.9959,-1.8808,1.8471;-1.0113,-2.9669,2.837;.1288,-1.5513,1.6674;.0839,-.4957,1.3401;1.0601,-1.6788,2.2458;.2076,-2.1819,.763;-.6199,-2.5739,7.856;-1.7702,-.7757,6.8232;-2.7717,-.4924,6.4872;-2.8789,-2.4678,7.9871;.4752,.2017,11.6336;.4047,.4674,12.7049;1.4096,.6416,11.2375;.5737,-.8967,11.5618;-.7427,.6842,10.8496;-1.6611,.2393,11.2683;-.8533,1.7796,10.9681;-.6735,.3222,9.365;-.4808,-.7623,9.264;.1868,.8267,8.8859;-1.9573,.7089,8.6234;-3.0626,.5991,9.1486;-1.8066,1.46,7.8077;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604304756184</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000140787559 0.000037943661 0.019700130636 0.005273444209</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.003196305154 0.002130870103</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021328576 0.000035482 0.000060174 0.000223953 0.000368950 0.001059230 0.001615480 0.002067815 0.002480499 0.002816576 0.003266027 0.003822683 0.004249918 0.004749517 0.006346098 0.007409896 0.007576096 0.008788273 0.009710666 0.011855419 0.012871452 0.016023715 0.019172979 0.021931599 0.023184679 0.025155897 0.029578669 0.030681870 0.031829182 0.033356790 0.034917923 0.035566681 0.040189516 0.041660272 0.042632986 0.044785333 0.046537058 0.047002821 0.052008389 0.052724319 0.054233557 0.055873174 0.058118433 0.059327949 0.064657645 0.067552725 0.069297733 0.072638006 0.076879929 0.077345296 0.077986400 0.079430254 0.081879114 0.084295326 0.088954212 0.096389726 0.099685923 0.100094483 0.105125889 0.106730019 0.109938664 0.112880108 0.115962982 0.130557011 0.133212304 0.135466455 0.139264189 0.146550045 0.156165013 0.160793205 0.164101956 0.169140055 0.170289437 0.173692926 0.179211515 0.183742494 0.189516115 0.196341792 0.202323656 0.208841133 0.220372075 0.229508048 0.241871358 0.256128337 0.276319035 0.293854370 0.310324983 0.345407695 0.400031801 0.417605259 0.431089199 0.478329817 0.539723185 0.574928476 0.590930512 0.608496012 0.663107388 0.694488373 0.735251354 0.752625149 0.758212991 0.771131765 0.773673146 0.778705647 0.783478014 0.797563316 0.804561849 0.818832444 0.819800849 0.837849431 0.847229542 0.852949558 0.867534621 0.885514803 0.890951566 0.895376558 0.897581945 0.910629614 0.918731839 0.931266358 0.933931633 0.953345690 0.980102416 1.011589434 1.468894354 1.554198472</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">137</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.50935296" y3="-2.18663458" z3="10.88240778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47396073" y3="-1.2428802" z3="10.30824688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26200708" y3="-1.9611656" z3="11.9365662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54657763" y3="-2.57353303" z3="10.85508779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53095391" y3="-3.20062315" z3="10.29799618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53507022" y3="-4.13634357" z3="10.89307087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50265147" y3="-2.80170997" z3="10.33770663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.83046338" y3="-3.57097482" z3="8.84542426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83266997" y3="-4.03582775" z3="8.78045547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07679717" y3="-4.29628494" z3="8.49135718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65832701" y3="-1.9774434" z3="7.53473649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57236556" y3="-0.28011066" z3="6.05534103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31779537" y3="-0.32889155" z3="6.71026434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.70806867" y3="0.78975501" z3="5.78880426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23138772" y3="-1.06307726" z3="4.77273729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03443613" y3="-2.11312995" z3="5.06052776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.71090234" y3="-0.66674047" z3="4.34246745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33733024" y3="-1.02575534" z3="3.71971671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48558336" y3="0.0194523" z3="3.3779291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28222235" y3="-1.32881308" z3="4.20494291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10105034" y3="-1.92445322" z3="2.50215653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99705394" y3="-1.89453733" z3="1.85289573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.0054066" y3="-2.97251386" z3="2.84443184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12556363" y3="-1.55546715" z3="1.66780882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07488948" y3="-0.50135909" z3="1.33680152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0586863" y3="-1.67635951" z3="2.24466428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20563871" y3="-2.1889032" z3="0.76552731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61720385" y3="-2.56859565" z3="7.85046724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76970089" y3="-0.76878199" z3="6.82344768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77169737" y3="-0.48621994" z3="6.48858479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87588388" y3="-2.46377746" z3="7.9855212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4711274" y3="0.18955849" z3="11.63609318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39696062" y3="0.44765043" z3="12.70894562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40616935" y3="0.63357059" z3="11.2460053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57143982" y3="-0.90828369" z3="11.55700596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74501657" y3="0.6757493" z3="10.8516978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66389251" y3="0.22643288" z3="11.26480475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85803027" y3="1.77021882" z3="10.9773817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.67083301" y3="0.32393549" z3="9.36504986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47355199" y3="-0.75923778" z3="9.25750197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18883377" y3="0.83483384" z3="8.89164997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95424342" y3="0.71085073" z3="8.62220755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06001224" y3="0.60165364" z3="9.14738765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80256611" y3="1.46415501" z3="7.80854801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5094,-2.1866,10.8824;-3.474,-1.2429,10.3082;-3.262,-1.9612,11.9366;-4.5466,-2.5735,10.8551;-2.531,-3.2006,10.298;-2.5351,-4.1363,10.8931;-1.5027,-2.8017,10.3377;-2.8305,-3.571,8.8454;-3.8327,-4.0358,8.7805;-2.0768,-4.2963,8.4914;-1.6583,-1.9774,7.5347;-.5724,-.2801,6.0553;.3178,-.3289,6.7103;-.7081,.7898,5.7888;-.2314,-1.0631,4.7727;-.0344,-2.1131,5.0605;.7109,-.6667,4.3425;-1.3373,-1.0258,3.7197;-1.4856,.0195,3.3779;-2.2822,-1.3288,4.2049;-1.1011,-1.9245,2.5022;-1.9971,-1.8945,1.8529;-1.0054,-2.9725,2.8444;.1256,-1.5555,1.6678;.0749,-.5014,1.3368;1.0587,-1.6764,2.2447;.2056,-2.1889,.7655;-.6172,-2.5686,7.8505;-1.7697,-.7688,6.8234;-2.7717,-.4862,6.4886;-2.8759,-2.4638,7.9855;.4711,.1896,11.6361;.397,.4477,12.7089;1.4062,.6336,11.246;.5714,-.9083,11.557;-.745,.6757,10.8517;-1.6639,.2264,11.2648;-.858,1.7702,10.9774;-.6708,.3239,9.365;-.4736,-.7592,9.2575;.1888,.8348,8.8916;-1.9542,.7109,8.6222;-3.06,.6017,9.1474;-1.8026,1.4642,7.8085;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604305167904</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000327013907 0.000050279989 0.023888129500 0.007567767172</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021327592 0.000003154 0.000070002 0.000231215 0.000373769 0.001057462 0.001615527 0.002067846 0.002480754 0.002816563 0.003267049 0.003825091 0.004250740 0.004749241 0.006344802 0.007409820 0.007575593 0.008788537 0.009712503 0.011856466 0.012871764 0.016023681 0.019172247 0.021931576 0.023183049 0.025156706 0.029578400 0.030681783 0.031829764 0.033356763 0.034917843 0.035566834 0.040189424 0.041660122 0.042631478 0.044785096 0.046537023 0.047002886 0.052008320 0.052723940 0.054233140 0.055872198 0.058117815 0.059327653 0.064658631 0.067552529 0.069296657 0.072637885 0.076879337 0.077344778 0.077986487 0.079429731 0.081878497 0.084294220 0.088954538 0.096388617 0.099685909 0.100094361 0.105122302 0.106729454 0.109938779 0.112880073 0.115962940 0.130557055 0.133212193 0.135466472 0.139263932 0.146550158 0.156164462 0.160793100 0.164102282 0.169139180 0.170289431 0.173691640 0.179209873 0.183742981 0.189517699 0.196342186 0.202325152 0.208838042 0.220369652 0.229500830 0.241871336 0.256127688 0.276302929 0.293853808 0.310325062 0.345407723 0.400030707 0.417605315 0.431089660 0.478330067 0.539723171 0.574929242 0.590930502 0.608496024 0.663107603 0.694485358 0.735251115 0.752625099 0.758212943 0.771130811 0.773673105 0.778705319 0.783477354 0.797563372 0.804561786 0.818832438 0.819800878 0.837847644 0.847229302 0.852949359 0.867534747 0.885514126 0.890951608 0.895375978 0.897581737 0.910629672 0.918731463 0.931263992 0.933931928 0.953345698 0.980104182 1.011588715 1.468898612 1.554198737</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">138</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51073071" y3="-2.18633112" z3="10.87945551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.478086" y3="-1.24130232" z3="10.30721498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26425163" y3="-1.96218169" z3="11.93411276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5466228" y3="-2.57683723" z3="10.85122277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52864465" y3="-3.1957047" z3="10.29308891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52821309" y3="-4.13219956" z3="10.88714024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.5019078" y3="-2.79231959" z3="10.33239559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82788606" y3="-3.56553123" z3="8.840336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82903715" y3="-4.03262899" z3="8.77529506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07273595" y3="-4.28871117" z3="8.48514311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66004752" y3="-1.96833087" z3="7.53044671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57852908" y3="-0.26635542" z3="6.05298284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31209266" y3="-0.3067958" z3="6.70817968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.72023322" y3="0.80147223" z3="5.781345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23333339" y3="-1.05421541" z3="4.77461542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03201164" y3="-2.10182533" z3="5.06824662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70749067" y3="-0.65604177" z3="4.34282617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33901757" y3="-1.02708879" z3="3.7209866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48975502" y3="0.01528763" z3="3.37155493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28326369" y3="-1.32902103" z3="4.20815293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.09989371" y3="-1.93411677" z3="2.51014177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99534277" y3="-1.91087471" z3="1.85974056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00231112" y3="-2.97945938" z3="2.86029878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12680435" y3="-1.56866228" z3="1.67445319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07413021" y3="-0.51715761" z3="1.33546763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05942217" y3="-1.6830871" z3="2.25347693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20947882" y3="-2.20877596" z3="0.77704626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61736206" y3="-2.55893236" z3="7.84294625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77388705" y3="-0.75757531" z3="6.82280261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77674439" y3="-0.47512086" z3="6.49049734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87618029" y3="-2.45739732" z3="7.98168152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47380356" y3="0.17741598" z3="11.63429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39801943" y3="0.42555375" z3="12.70958884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40595011" y3="0.6307679" z3="11.24826205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58104524" y3="-0.91893014" z3="11.54562627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74554452" y3="0.66258715" z3="10.85446998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66118714" y3="0.20254475" z3="11.26238283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.86641" y3="1.75468522" z3="10.99154421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66811963" y3="0.32703643" z3="9.36387576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46440046" y3="-0.75373158" z3="9.24530323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1889994" y3="0.84818885" z3="8.89673772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95321834" y3="0.71504494" z3="8.62379612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05818052" y3="0.60474819" z3="9.15037165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80250942" y3="1.47129769" z3="7.81282952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5107,-2.1863,10.8795;-3.4781,-1.2413,10.3072;-3.2643,-1.9622,11.9341;-4.5466,-2.5768,10.8512;-2.5286,-3.1957,10.2931;-2.5282,-4.1322,10.8871;-1.5019,-2.7923,10.3324;-2.8279,-3.5655,8.8403;-3.829,-4.0326,8.7753;-2.0727,-4.2887,8.4851;-1.66,-1.9683,7.5304;-.5785,-.2664,6.053;.3121,-.3068,6.7082;-.7202,.8015,5.7813;-.2333,-1.0542,4.7746;-.032,-2.1018,5.0682;.7075,-.656,4.3428;-1.339,-1.0271,3.721;-1.4898,.0153,3.3716;-2.2833,-1.329,4.2082;-1.0999,-1.9341,2.5101;-1.9953,-1.9109,1.8597;-1.0023,-2.9795,2.8603;.1268,-1.5687,1.6745;.0741,-.5172,1.3355;1.0594,-1.6831,2.2535;.2095,-2.2088,.777;-.6174,-2.5589,7.8429;-1.7739,-.7576,6.8228;-2.7767,-.4751,6.4905;-2.8762,-2.4574,7.9817;.4738,.1774,11.6343;.398,.4256,12.7096;1.406,.6308,11.2483;.581,-.9189,11.5456;-.7455,.6626,10.8545;-1.6612,.2025,11.2624;-.8664,1.7547,10.9915;-.6681,.327,9.3639;-.4644,-.7537,9.2453;.189,.8482,8.8967;-1.9532,.715,8.6238;-3.0582,.6047,9.1504;-1.8025,1.4713,7.8128;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604305435676</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000444429478 0.000086647197 0.008411069903 0.002182799104</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021327632 0.000018779 0.000070028 0.000227629 0.000378449 0.001057940 0.001616503 0.002067592 0.002481310 0.002816481 0.003266352 0.003825577 0.004251026 0.004749159 0.006344221 0.007410407 0.007575384 0.008787391 0.009714855 0.011858457 0.012872554 0.016023550 0.019171687 0.021931554 0.023181298 0.025157549 0.029578344 0.030681593 0.031830326 0.033356668 0.034917536 0.035567915 0.040189278 0.041660151 0.042630808 0.044784665 0.046536966 0.047002694 0.052008142 0.052723763 0.054232830 0.055871340 0.058117323 0.059327438 0.064658992 0.067552253 0.069295820 0.072636374 0.076878711 0.077343876 0.077986744 0.079429357 0.081878135 0.084292660 0.088954060 0.096384759 0.099685942 0.100094252 0.105117145 0.106728617 0.109938842 0.112880068 0.115962994 0.130557118 0.133212066 0.135466405 0.139263563 0.146550260 0.156163947 0.160793899 0.164102819 0.169137779 0.170289964 0.173690780 0.179207415 0.183744479 0.189517663 0.196344261 0.202328218 0.208835049 0.220368629 0.229491509 0.241870759 0.256126035 0.276263021 0.293853248 0.310325141 0.345407675 0.400030467 0.417605560 0.431089604 0.478330371 0.539723204 0.574932118 0.590930546 0.608496163 0.663108341 0.694484753 0.735251816 0.752625300 0.758212841 0.771132901 0.773673103 0.778705416 0.783477694 0.797563477 0.804561936 0.818832772 0.819800947 0.837846267 0.847228963 0.852949373 0.867534773 0.885513723 0.890951641 0.895374018 0.897581069 0.910630474 0.918731661 0.931258910 0.933932959 0.953351973 0.980109625 1.011590824 1.468912166 1.554198260</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">139</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51148491" y3="-2.18533577" z3="10.87820684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48025079" y3="-1.24057464" z3="10.30544757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26589519" y3="-1.96016448" z3="11.93284529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54662436" y3="-2.57775645" z3="10.84968799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52731663" y3="-3.19315032" z3="10.29277932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52547567" y3="-4.12925644" z3="10.88723749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.5013805" y3="-2.78801239" z3="10.33234045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82537217" y3="-3.5641982" z3="8.84012136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82587748" y3="-4.03267244" z3="8.77486412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.06902719" y3="-4.28643072" z3="8.48554948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65904653" y3="-1.96676039" z3="7.52933277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57851744" y3="-0.2640974" z3="6.0523494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31221523" y3="-0.30401952" z3="6.70716701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.7206492" y3="0.80343565" z3="5.78041954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23351694" y3="-1.05241117" z3="4.7742978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03178982" y3="-2.09969818" z3="5.06851683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70698783" y3="-0.65422646" z3="4.34188206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33956948" y3="-1.02626605" z3="3.7211564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.4899981" y3="0.01562525" z3="3.3704078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28376589" y3="-1.32718773" z3="4.20906363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10134543" y3="-1.93506272" z3="2.51156962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99654917" y3="-1.91140217" z3="1.86109056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00534318" y3="-2.97994035" z3="2.86309386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12605642" y3="-1.57251995" z3="1.67561784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.074825" y3="-0.5215973" z3="1.33484576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05828972" y3="-1.6871523" z3="2.25505585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20823415" y3="-2.21416669" z3="0.77933266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61611777" y3="-2.55730479" z3="7.840486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77340303" y3="-0.75559274" z3="6.82274599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77644945" y3="-0.47326335" z3="6.490909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87471259" y3="-2.45641921" z3="7.9810955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47278022" y3="0.17396942" z3="11.63467669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39519736" y3="0.41852816" z3="12.71051871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40403218" y3="0.63145033" z3="11.25102872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58334117" y3="-0.92176641" z3="11.54264407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74718853" y3="0.65843093" z3="10.85519561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66186596" y3="0.19413368" z3="11.26082012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.8719099" y3="1.74981034" z3="10.99584375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66721186" y3="0.32810772" z3="9.36397131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46047001" y3="-0.75181256" z3="9.24192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18927692" y3="0.85296656" z3="8.89985517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95233421" y3="0.7156543" z3="8.62345542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05740916" y3="0.60513774" z3="9.15021845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80172942" y3="1.47235654" z3="7.81270906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5115,-2.1853,10.8782;-3.4803,-1.2406,10.3054;-3.2659,-1.9602,11.9328;-4.5466,-2.5778,10.8497;-2.5273,-3.1932,10.2928;-2.5255,-4.1293,10.8872;-1.5014,-2.788,10.3323;-2.8254,-3.5642,8.8401;-3.8259,-4.0327,8.7749;-2.069,-4.2864,8.4855;-1.659,-1.9668,7.5293;-.5785,-.2641,6.0523;.3122,-.304,6.7072;-.7206,.8034,5.7804;-.2335,-1.0524,4.7743;-.0318,-2.0997,5.0685;.707,-.6542,4.3419;-1.3396,-1.0263,3.7212;-1.49,.0156,3.3704;-2.2838,-1.3272,4.2091;-1.1013,-1.9351,2.5116;-1.9965,-1.9114,1.8611;-1.0053,-2.9799,2.8631;.1261,-1.5725,1.6756;.0748,-.5216,1.3348;1.0583,-1.6872,2.2551;.2082,-2.2142,.7793;-.6161,-2.5573,7.8405;-1.7734,-.7556,6.8227;-2.7764,-.4733,6.4909;-2.8747,-2.4564,7.9811;.4728,.174,11.6347;.3952,.4185,12.7105;1.404,.6315,11.251;.5833,-.9218,11.5426;-.7472,.6584,10.8552;-1.6619,.1941,11.2608;-.8719,1.7498,10.9958;-.6672,.3281,9.364;-.4605,-.7518,9.2419;.1893,.853,8.8999;-1.9523,.7157,8.6235;-3.0574,.6051,9.1502;-1.8017,1.4724,7.8127;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604305704950</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000190141254 0.000040104107 0.013948620021 0.003154826927</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002366661583 0.001577774389</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021309586 -0.000060549 0.000066698 0.000206648 0.000399069 0.001058367 0.001617617 0.002062638 0.002480675 0.002817388 0.003262501 0.003846709 0.004272145 0.004750528 0.006339618 0.007411918 0.007574545 0.008794006 0.009720603 0.011862540 0.012873381 0.016024090 0.019171137 0.021932389 0.023183987 0.025162959 0.029578143 0.030682813 0.031835388 0.033356705 0.034917458 0.035567992 0.040189208 0.041660130 0.042619549 0.044786307 0.046536949 0.047002890 0.052008894 0.052723700 0.054232576 0.055873320 0.058116340 0.059327448 0.064664057 0.067552092 0.069296768 0.072635394 0.076878900 0.077343156 0.077986441 0.079429167 0.081877985 0.084297334 0.088954171 0.096388625 0.099686035 0.100094662 0.105115273 0.106728301 0.109938756 0.112879906 0.115962987 0.130557238 0.133212241 0.135466422 0.139263847 0.146550211 0.156167069 0.160796438 0.164100479 0.169137248 0.170290695 0.173695976 0.179207071 0.183746355 0.189538177 0.196347654 0.202344066 0.208834918 0.220384281 0.229493903 0.241880268 0.256123425 0.276263672 0.293858504 0.310325162 0.345407042 0.400029450 0.417608783 0.431095769 0.478330636 0.539724382 0.574942532 0.590930875 0.608497910 0.663114549 0.694488808 0.735253578 0.752625157 0.758212772 0.771136968 0.773673907 0.778707434 0.783482035 0.797564542 0.804562260 0.818832842 0.819801445 0.837848124 0.847229094 0.852951535 0.867537985 0.885525972 0.890951944 0.895390842 0.897581451 0.910634134 0.918733525 0.931254771 0.933934458 0.953361982 0.980127949 1.011592617 1.468955120 1.554199752</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">140</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51415753" y3="-2.18451216" z3="10.87651565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48408106" y3="-1.2398731" z3="10.30351553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2698567" y3="-1.95856915" z3="11.93127827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54846401" y3="-2.57911344" z3="10.84728097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52736186" y3="-3.1903976" z3="10.29216069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52344923" y3="-4.12626374" z3="10.88718204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50234336" y3="-2.78257047" z3="10.33193369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82387697" y3="-3.56270689" z3="8.83954036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8237759" y3="-4.03232064" z3="8.77373764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0665235" y3="-4.28422027" z3="8.4858158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65849128" y3="-1.9643922" z3="7.52908718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57960375" y3="-0.260556" z3="6.05195089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31152883" y3="-0.29803962" z3="6.7065886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.72353994" y3="0.80644782" z3="5.77856047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23413618" y3="-1.05025652" z3="4.77494072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03157109" y3="-2.09699459" z3="5.07054313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70601416" y3="-0.65194548" z3="4.34188927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.34040021" y3="-1.02625605" z3="3.72192773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.491049" y3="0.01494082" z3="3.3691007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28451702" y3="-1.32633917" z3="4.21055865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10199995" y3="-1.93750158" z3="2.51421871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99739831" y3="-1.91566669" z3="1.86365491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00543744" y3="-2.98171215" z3="2.86809889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12538246" y3="-1.57606584" z3="1.67756606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07344614" y3="-0.52589968" z3="1.33416198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05771183" y3="-1.68862132" z3="2.25751699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20819813" y3="-2.21992241" z3="0.78292575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61494112" y3="-2.55409558" z3="7.84029325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77370934" y3="-0.75259133" z3="6.82331202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77705735" y3="-0.47094789" z3="6.49178097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87380826" y3="-2.45531177" z3="7.97998882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47369375" y3="0.17029978" z3="11.63405617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39333252" y3="0.40863183" z3="12.71124899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40274245" y3="0.63528898" z3="11.25411231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.59081601" y3="-0.92424077" z3="11.53639216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74812665" y3="0.65160032" z3="10.85568137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66067954" y3="0.18018506" z3="11.25758944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87903488" y3="1.74137885" z3="11.00204458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66443777" y3="0.32985565" z3="9.36253084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.453064" y3="-0.74846532" z3="9.23494668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1907327" y3="0.8609396" z3="8.90275803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95020718" y3="0.7163554" z3="8.6220253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05508266" y3="0.60597661" z3="9.14934411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.79977772" y3="1.473856" z3="7.81201652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5142,-2.1845,10.8765;-3.4841,-1.2399,10.3035;-3.2699,-1.9586,11.9313;-4.5485,-2.5791,10.8473;-2.5274,-3.1904,10.2922;-2.5234,-4.1263,10.8872;-1.5023,-2.7826,10.3319;-2.8239,-3.5627,8.8395;-3.8238,-4.0323,8.7737;-2.0665,-4.2842,8.4858;-1.6585,-1.9644,7.5291;-.5796,-.2606,6.052;.3115,-.298,6.7066;-.7235,.8064,5.7786;-.2341,-1.0503,4.7749;-.0316,-2.097,5.0705;.706,-.6519,4.3419;-1.3404,-1.0263,3.7219;-1.491,.0149,3.3691;-2.2845,-1.3263,4.2106;-1.102,-1.9375,2.5142;-1.9974,-1.9157,1.8637;-1.0054,-2.9817,2.8681;.1254,-1.5761,1.6776;.0734,-.5259,1.3342;1.0577,-1.6886,2.2575;.2082,-2.2199,.7829;-.6149,-2.5541,7.8403;-1.7737,-.7526,6.8233;-2.7771,-.4709,6.4918;-2.8738,-2.4553,7.98;.4737,.1703,11.6341;.3933,.4086,12.7112;1.4027,.6353,11.2541;.5908,-.9242,11.5364;-.7481,.6516,10.8557;-1.6607,.1802,11.2576;-.879,1.7414,11.002;-.6644,.3299,9.3625;-.4531,-.7485,9.2349;.1907,.8609,8.9028;-1.9502,.7164,8.622;-3.0551,.606,9.1493;-1.7998,1.4739,7.812;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604305418207</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000338466698 0.000070294459 0.017490638855 0.004495987319</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021304358 0.000003933 0.000090635 0.000203887 0.000399059 0.001058200 0.001618874 0.002062092 0.002480571 0.002818639 0.003263340 0.003850113 0.004278033 0.004752371 0.006339206 0.007411960 0.007574489 0.008801558 0.009723176 0.011863520 0.012873443 0.016024266 0.019172340 0.021932413 0.023183019 0.025163555 0.029578213 0.030682684 0.031836902 0.033357648 0.034917354 0.035570594 0.040189212 0.041660963 0.042618074 0.044786661 0.046537086 0.047003436 0.052009060 0.052723350 0.054232470 0.055872773 0.058115972 0.059327104 0.064668042 0.067552041 0.069296542 0.072634366 0.076878832 0.077342697 0.077987745 0.079429027 0.081877873 0.084296284 0.088954656 0.096387743 0.099686061 0.100094850 0.105111248 0.106727647 0.109938872 0.112879952 0.115962959 0.130557538 0.133212373 0.135466415 0.139263912 0.146550931 0.156166878 0.160797006 0.164102943 0.169136509 0.170290897 0.173698110 0.179206237 0.183746962 0.189544908 0.196347502 0.202350470 0.208834214 0.220387648 0.229492998 0.241880705 0.256121438 0.276238195 0.293859765 0.310325328 0.345406771 0.400030766 0.417613934 0.431097744 0.478331219 0.539726238 0.574945736 0.590930952 0.608499131 0.663118111 0.694487657 0.735254610 0.752625128 0.758212821 0.771152037 0.773674202 0.778708702 0.783483681 0.797566048 0.804562354 0.818832845 0.819802467 0.837859742 0.847229096 0.852954563 0.867539842 0.885526629 0.890951927 0.895389982 0.897581775 0.910634643 0.918734122 0.931257301 0.933940411 0.953369128 0.980140218 1.011593306 1.468985666 1.554201628</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">141</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51208548" y3="-2.18529928" z3="10.87894843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48011279" y3="-1.24079153" z3="10.3058288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26648111" y3="-1.95988406" z3="11.93352953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54750625" y3="-2.5770059" z3="10.85044387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52850704" y3="-3.19403979" z3="10.29409163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52737106" y3="-4.12998566" z3="10.88894511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50226342" y3="-2.78947304" z3="10.33367414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.8264972" y3="-3.56538464" z3="8.84149073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82729278" y3="-4.03319147" z3="8.77618416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0706246" y3="-4.28830916" z3="8.48738595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65881739" y3="-1.96881643" z3="7.53076248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57744884" y3="-0.26721398" z3="6.05286108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31326143" y3="-0.308394" z3="6.70772108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71869269" y3="0.80072609" z3="5.78173769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23314179" y3="-1.05461301" z3="4.77405257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03227587" y3="-2.10238601" z3="5.06713108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70768475" y3="-0.65676813" z3="4.3420164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33920481" y3="-1.02646784" z3="3.72096982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48941354" y3="0.01603957" z3="3.37192254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28348086" y3="-1.32793531" z3="4.20840798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10109006" y3="-1.93330383" z3="2.50989137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99670296" y3="-1.90919838" z3="1.85981083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00426608" y3="-2.97875372" z3="2.8598179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12578667" y3="-1.56864551" z3="1.6739655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.0737101" y3="-0.51715862" z3="1.33485801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05845144" y3="-1.68358297" z3="2.25280196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.2079585" y3="-2.20883966" z3="0.7766598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61611244" y3="-2.5591216" z3="7.84349576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77271095" y3="-0.75829808" z3="6.82287334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77560343" y3="-0.47603297" z3="6.49050012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87491949" y3="-2.45796638" z3="7.98195685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47294457" y3="0.17681549" z3="11.63474541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39548307" y3="0.42300309" z3="12.71029991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40442417" y3="0.63322539" z3="11.25042146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58296963" y3="-0.91908409" z3="11.54438988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74678274" y3="0.66049882" z3="10.85452189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66181575" y3="0.1976757" z3="11.26092732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87047024" y3="1.75215902" z3="10.99320578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.6671601" y3="0.32743081" z3="9.36370885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4615843" y3="-0.75283941" z3="9.2434994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18979908" y3="0.85066272" z3="8.89859629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95204024" y3="0.71470099" z3="8.62275692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05720081" y3="0.60466927" z3="9.1492195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80115811" y3="1.4705648" z3="7.8113437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5121,-2.1853,10.8789;-3.4801,-1.2408,10.3058;-3.2665,-1.9599,11.9335;-4.5475,-2.577,10.8504;-2.5285,-3.194,10.2941;-2.5274,-4.13,10.8889;-1.5023,-2.7895,10.3337;-2.8265,-3.5654,8.8415;-3.8273,-4.0332,8.7762;-2.0706,-4.2883,8.4874;-1.6588,-1.9688,7.5308;-.5774,-.2672,6.0529;.3133,-.3084,6.7077;-.7187,.8007,5.7817;-.2331,-1.0546,4.7741;-.0323,-2.1024,5.0671;.7077,-.6568,4.342;-1.3392,-1.0265,3.721;-1.4894,.016,3.3719;-2.2835,-1.3279,4.2084;-1.1011,-1.9333,2.5099;-1.9967,-1.9092,1.8598;-1.0043,-2.9788,2.8598;.1258,-1.5686,1.674;.0737,-.5172,1.3349;1.0585,-1.6836,2.2528;.208,-2.2088,.7767;-.6161,-2.5591,7.8435;-1.7727,-.7583,6.8229;-2.7756,-.476,6.4905;-2.8749,-2.458,7.982;.4729,.1768,11.6347;.3955,.423,12.7103;1.4044,.6332,11.2504;.583,-.9191,11.5444;-.7468,.6605,10.8545;-1.6618,.1977,11.2609;-.8705,1.7522,10.9932;-.6672,.3274,9.3637;-.4616,-.7528,9.2435;.1898,.8507,8.8986;-1.952,.7147,8.6228;-3.0572,.6047,9.1492;-1.8012,1.4706,7.8113;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604305800264</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000166148626 0.000036402034 0.011689422319 0.003435441097</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002708418423 0.001805612282</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021228371 0.000018863 0.000123873 0.000179907 0.000392156 0.001054451 0.001616272 0.002051064 0.002477931 0.002813228 0.003244965 0.003840282 0.004285319 0.004756527 0.006326066 0.007411046 0.007570718 0.008801104 0.009727366 0.011864636 0.012872531 0.016024217 0.019170448 0.021933200 0.023187700 0.025168292 0.029578064 0.030683330 0.031840804 0.033358685 0.034917370 0.035566098 0.040189221 0.041645034 0.042601973 0.044787035 0.046537417 0.047002106 0.052009641 0.052724377 0.054232214 0.055869508 0.058115148 0.059327708 0.064669485 0.067551863 0.069298713 0.072634688 0.076877870 0.077342033 0.077985471 0.079429020 0.081878296 0.084302878 0.088952661 0.096395827 0.099686118 0.100094784 0.105116760 0.106728544 0.109938113 0.112879853 0.115962764 0.130557646 0.133211770 0.135466432 0.139264337 0.146554281 0.156171307 0.160799394 0.164093463 0.169136935 0.170291149 0.173704052 0.179207814 0.183748475 0.189562900 0.196350866 0.202362435 0.208837271 0.220400877 0.229498842 0.241885304 0.256122110 0.276267137 0.293862594 0.310325397 0.345406155 0.400027930 0.417616186 0.431099324 0.478332385 0.539728526 0.574955093 0.590931169 0.608502898 0.663123634 0.694495814 0.735257236 0.752625018 0.758213048 0.771162786 0.773674609 0.778710982 0.783487071 0.797567947 0.804562846 0.818833044 0.819803400 0.837852229 0.847229736 0.852957390 0.867541325 0.885527150 0.890951252 0.895385341 0.897581772 0.910636997 0.918735756 0.931266967 0.933947359 0.953380829 0.980158439 1.011596973 1.469021305 1.554203220</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">142</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.5135929" y3="-2.18465689" z3="10.8795911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48118355" y3="-1.24117344" z3="10.30485843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26886001" y3="-1.95737947" z3="11.93397501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54896209" y3="-2.57637942" z3="10.85095859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52960079" y3="-3.19442328" z3="10.29731573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52940452" y3="-4.1294055" z3="10.89356436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50337733" y3="-2.79011788" z3="10.33743344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82599221" y3="-3.56791902" z3="8.84492795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82671771" y3="-4.03586968" z3="8.77919129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.06965321" y3="-4.2913582" z3="8.49277204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6567751" y3="-1.97331129" z3="7.53319866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57368302" y3="-0.27390841" z3="6.05415355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.3169386" y3="-0.31952287" z3="6.70877372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71193684" y3="0.79520501" z3="5.78598836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23207598" y3="-1.05850756" z3="4.77288076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03440469" y3="-2.10788196" z3="5.06251314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70989613" y3="-0.66232628" z3="4.34182665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33833939" y3="-1.02342738" z3="3.72018402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48506669" y3="0.02067845" z3="3.37446339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28350217" y3="-1.32316477" z3="4.20692974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10379348" y3="-1.92727977" z3="2.50618517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99925143" y3="-1.89750895" z3="1.8562622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01114687" y3="-2.97416509" z3="2.85269267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12442441" y3="-1.56484043" z3="1.67138172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07626487" y3="-0.51228075" z3="1.33519076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05650477" y3="-1.68480262" z3="2.25002604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20440258" y3="-2.20289445" z3="0.77232444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61451563" y3="-2.56311367" z3="7.84819696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.76984967" y3="-0.76401443" z3="6.82321293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77236918" y3="-0.48204034" z3="6.48950876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8734636" y3="-2.46178027" z3="7.98368728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47203474" y3="0.18243083" z3="11.63529598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39292745" y3="0.42967708" z3="12.71043871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.402524" y3="0.64093857" z3="11.25127774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58525185" y3="-0.91324104" z3="11.54630699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74833165" y3="0.66198104" z3="10.85347607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66256175" y3="0.19786641" z3="11.26006233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87472282" y3="1.75357322" z3="10.99027572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66704777" y3="0.32689673" z3="9.36329141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46056739" y3="-0.75335355" z3="9.24484602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18992283" y3="0.85002229" z3="8.89809323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9514861" y3="0.71251068" z3="8.62073404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05708402" y3="0.60305969" z3="9.14628091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80013449" y3="1.46659602" z3="7.80782485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5136,-2.1847,10.8796;-3.4812,-1.2412,10.3049;-3.2689,-1.9574,11.934;-4.549,-2.5764,10.851;-2.5296,-3.1944,10.2973;-2.5294,-4.1294,10.8936;-1.5034,-2.7901,10.3374;-2.826,-3.5679,8.8449;-3.8267,-4.0359,8.7792;-2.0697,-4.2914,8.4928;-1.6568,-1.9733,7.5332;-.5737,-.2739,6.0542;.3169,-.3195,6.7088;-.7119,.7952,5.786;-.2321,-1.0585,4.7729;-.0344,-2.1079,5.0625;.7099,-.6623,4.3418;-1.3383,-1.0234,3.7202;-1.4851,.0207,3.3745;-2.2835,-1.3232,4.2069;-1.1038,-1.9273,2.5062;-1.9993,-1.8975,1.8563;-1.0111,-2.9742,2.8527;.1244,-1.5648,1.6714;.0763,-.5123,1.3352;1.0565,-1.6848,2.25;.2044,-2.2029,.7723;-.6145,-2.5631,7.8482;-1.7698,-.764,6.8232;-2.7724,-.482,6.4895;-2.8735,-2.4618,7.9837;.472,.1824,11.6353;.3929,.4297,12.7104;1.4025,.6409,11.2513;.5853,-.9132,11.5463;-.7483,.662,10.8535;-1.6626,.1979,11.2601;-.8747,1.7536,10.9903;-.667,.3269,9.3633;-.4606,-.7534,9.2448;.1899,.85,8.8981;-1.9515,.7125,8.6207;-3.0571,.6031,9.1463;-1.8001,1.4666,7.8078;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604305853119</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000161275089 0.000034040922 0.003668580044 0.001162701611</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002790263532 0.001860175688</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021200539 0.000023766 0.000128054 0.000187904 0.000392906 0.001051972 0.001614936 0.002050467 0.002477252 0.002809022 0.003245647 0.003840784 0.004286540 0.004758995 0.006323969 0.007413161 0.007570428 0.008801504 0.009728843 0.011864169 0.012872335 0.016024679 0.019169932 0.021933353 0.023188283 0.025168820 0.029577865 0.030683602 0.031841141 0.033358830 0.034917587 0.035562179 0.040189253 0.041636294 0.042599365 0.044788550 0.046537445 0.047002021 0.052009870 0.052724467 0.054232540 0.055868999 0.058114745 0.059327727 0.064668917 0.067551998 0.069298429 0.072636637 0.076878182 0.077342066 0.077983720 0.079429198 0.081878425 0.084303525 0.088952569 0.096397150 0.099686160 0.100094950 0.105116314 0.106728728 0.109938078 0.112879871 0.115962913 0.130557617 0.133211225 0.135466521 0.139264720 0.146554845 0.156171604 0.160799681 0.164090120 0.169136869 0.170291899 0.173706448 0.179210113 0.183750324 0.189565819 0.196351012 0.202363810 0.208837633 0.220405492 0.229501873 0.241886283 0.256120093 0.276241059 0.293865048 0.310325347 0.345405971 0.400026489 0.417615891 0.431099720 0.478332613 0.539728925 0.574955723 0.590931449 0.608503986 0.663124788 0.694497259 0.735257673 0.752624998 0.758213036 0.771161111 0.773674796 0.778711509 0.783488146 0.797568310 0.804563043 0.818833043 0.819803479 0.837844844 0.847230421 0.852959051 0.867542337 0.885519967 0.890951184 0.895380993 0.897581556 0.910637047 0.918736169 0.931269638 0.933947907 0.953386279 0.980161021 1.011598168 1.469028244 1.554204095</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">143</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51262737" y3="-2.18497464" z3="10.87959066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48017673" y3="-1.2410721" z3="10.30552217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2674003" y3="-1.95854919" z3="11.93403439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.5481418" y3="-2.5763672" z3="10.85107301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52915321" y3="-3.19463426" z3="10.29617678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5288166" y3="-4.13003144" z3="10.89182659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50278388" y3="-2.79055617" z3="10.33598874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82646995" y3="-3.56713582" z3="8.8437366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82734815" y3="-4.03475816" z3="8.77828489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07055224" y3="-4.29054189" z3="8.49065795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65770234" y3="-1.97181888" z3="7.5324842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57505256" y3="-0.27175835" z3="6.05388311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31556846" y3="-0.31610093" z3="6.70854946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71408625" y3="0.79697718" z3="5.78476948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2326245" y3="-1.05730107" z3="4.7734273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.0340182" y3="-2.10616923" z3="5.06414884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70903144" y3="-0.66063895" z3="4.3421211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33869644" y3="-1.02442103" z3="3.7204854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48654218" y3="0.0191873" z3="3.37376446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28363686" y3="-1.32481573" z3="4.20728724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10277007" y3="-1.92915612" z3="2.50740218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99816952" y3="-1.90117753" z3="1.85726819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00883157" y3="-2.97561015" z3="2.85497656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.1251853" y3="-1.56598702" z3="1.6724434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07581004" y3="-0.51376645" z3="1.33526015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0573697" y3="-1.68431758" z3="2.25131528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.2060288" y3="-2.20473416" z3="0.77396604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61534778" y3="-2.56191398" z3="7.84655447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77096142" y3="-0.76196726" z3="6.8233612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77358251" y3="-0.47999268" z3="6.48990807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87418367" y3="-2.46043762" z3="7.98322177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47227762" y3="0.18070238" z3="11.63490124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39377833" y3="0.42760873" z3="12.71012303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40317755" y3="0.63841744" z3="11.25080609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.5842481" y3="-0.91504463" z3="11.54545009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.7477368" y3="0.66188575" z3="10.85352354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66232695" y3="0.19843793" z3="11.26015498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87298328" y3="1.75354588" z3="10.99076495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66715117" y3="0.32713006" z3="9.36329562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46103103" y3="-0.75317665" z3="9.24447543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1898409" y3="0.85010924" z3="8.89802707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95179281" y3="0.71303649" z3="8.62119154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05720344" y3="0.603318" z3="9.14728799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80077645" y3="1.46795784" z3="7.80888162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5126,-2.185,10.8796;-3.4802,-1.2411,10.3055;-3.2674,-1.9585,11.934;-4.5481,-2.5764,10.8511;-2.5292,-3.1946,10.2962;-2.5288,-4.13,10.8918;-1.5028,-2.7906,10.336;-2.8265,-3.5671,8.8437;-3.8273,-4.0348,8.7783;-2.0706,-4.2905,8.4907;-1.6577,-1.9718,7.5325;-.5751,-.2718,6.0539;.3156,-.3161,6.7085;-.7141,.797,5.7848;-.2326,-1.0573,4.7734;-.034,-2.1062,5.0641;.709,-.6606,4.3421;-1.3387,-1.0244,3.7205;-1.4865,.0192,3.3738;-2.2836,-1.3248,4.2073;-1.1028,-1.9292,2.5074;-1.9982,-1.9012,1.8573;-1.0088,-2.9756,2.855;.1252,-1.566,1.6724;.0758,-.5138,1.3353;1.0574,-1.6843,2.2513;.206,-2.2047,.774;-.6153,-2.5619,7.8466;-1.771,-.762,6.8234;-2.7736,-.48,6.4899;-2.8742,-2.4604,7.9832;.4723,.1807,11.6349;.3938,.4276,12.7101;1.4032,.6384,11.2508;.5842,-.915,11.5455;-.7477,.6619,10.8535;-1.6623,.1984,11.2602;-.873,1.7535,10.9908;-.6672,.3271,9.3633;-.461,-.7532,9.2445;.1898,.8501,8.898;-1.9518,.713,8.6212;-3.0572,.6033,9.1473;-1.8008,1.468,7.8089;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604305925995</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000096211036 0.000017409622 0.005478608762 0.001694747215</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.004677218127 0.003118145418</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.021018305 -0.000004335 0.000126697 0.000188765 0.000389690 0.001047161 0.001614812 0.002048543 0.002475989 0.002802393 0.003250416 0.003808229 0.004288048 0.004765142 0.006320406 0.007413294 0.007569778 0.008794504 0.009733154 0.011862099 0.012870360 0.016024624 0.019172188 0.021933331 0.023190140 0.025170664 0.029579895 0.030678745 0.031841729 0.033360654 0.034917769 0.035545512 0.040189100 0.041598113 0.042587112 0.044790251 0.046537486 0.047001992 0.052009895 0.052724652 0.054232459 0.055853348 0.058114098 0.059327515 0.064669560 0.067552064 0.069298506 0.072633598 0.076878081 0.077341568 0.077982346 0.079428315 0.081878743 0.084303208 0.088951206 0.096398162 0.099686246 0.100094961 0.105118409 0.106731229 0.109937093 0.112879933 0.115963018 0.130557657 0.133209398 0.135466263 0.139264739 0.146554163 0.156175551 0.160802497 0.164081958 0.169136584 0.170291830 0.173707108 0.179205648 0.183747331 0.189569599 0.196353297 0.202371137 0.208837251 0.220405889 0.229498056 0.241887422 0.256120291 0.276239543 0.293863358 0.310325428 0.345406277 0.400018885 0.417616296 0.431100750 0.478332953 0.539729506 0.574963947 0.590931712 0.608505173 0.663126023 0.694495549 0.735258304 0.752625024 0.758213120 0.771162340 0.773674749 0.778711906 0.783488382 0.797568392 0.804563022 0.818833145 0.819803656 0.837830836 0.847229846 0.852959051 0.867542322 0.885514531 0.890951257 0.895382798 0.897581417 0.910638325 0.918736269 0.931246161 0.933946799 0.953395000 0.980166002 1.011601963 1.469044809 1.554205117</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">144</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51144461" y3="-2.18532055" z3="10.87903822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47935053" y3="-1.24105815" z3="10.30547381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26537717" y3="-1.95955521" z3="11.9334395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54701524" y3="-2.57661661" z3="10.85106868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52849302" y3="-3.19471145" z3="10.29431946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52800119" y3="-4.13054678" z3="10.8892523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50204278" y3="-2.79087098" z3="10.33388743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82667462" y3="-3.56607909" z3="8.84175429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82760007" y3="-4.03363974" z3="8.7764815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07095543" y3="-4.28920437" z3="8.48763093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65873052" y3="-1.96958353" z3="7.53126248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57682539" y3="-0.26829077" z3="6.05357983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31389579" y3="-0.31062232" z3="6.70831243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71719181" y3="0.79991643" z3="5.78309368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23332238" y3="-1.05524855" z3="4.77426471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03359227" y3="-2.10347261" z3="5.06658125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.7079946" y3="-0.65814787" z3="4.34263258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33915894" y3="-1.02508924" z3="3.72096901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.4878517" y3="0.01780997" z3="3.37245228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28397485" y3="-1.32553204" z3="4.20799238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10208842" y3="-1.93163104" z3="2.50944881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99725084" y3="-1.90533669" z3="1.85892006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00755066" y3="-2.97745062" z3="2.85874858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12594547" y3="-1.56897337" z3="1.67437289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07595478" y3="-0.51737384" z3="1.33533524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05798512" y3="-1.68563531" z3="2.25382462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20763148" y3="-2.20924023" z3="0.77704646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61618974" y3="-2.56005137" z3="7.84386581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77230852" y3="-0.75875325" z3="6.82368538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77506212" y3="-0.47682633" z3="6.49059101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87488233" y3="-2.45864854" z3="7.98215353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47278783" y3="0.17842594" z3="11.63448185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.3943058" y3="0.42372123" z3="12.71007503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40358665" y3="0.63680931" z3="11.25098664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.58502743" y3="-0.91723759" z3="11.54339675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74746436" y3="0.66042182" z3="10.85393649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66189272" y3="0.19634704" z3="11.2600716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87287667" y3="1.75186477" z3="10.99266041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.6670201" y3="0.3276793" z3="9.3632105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4602627" y3="-0.75235947" z3="9.24308444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18956916" y3="0.85177333" z3="8.89841751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.9520594" y3="0.71386619" z3="8.62171336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05726803" y3="0.60382545" z3="9.14830577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80126673" y3="1.47003408" z3="7.81055337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5114,-2.1853,10.879;-3.4794,-1.2411,10.3055;-3.2654,-1.9596,11.9334;-4.547,-2.5766,10.8511;-2.5285,-3.1947,10.2943;-2.528,-4.1305,10.8893;-1.502,-2.7909,10.3339;-2.8267,-3.5661,8.8418;-3.8276,-4.0336,8.7765;-2.071,-4.2892,8.4876;-1.6587,-1.9696,7.5313;-.5768,-.2683,6.0536;.3139,-.3106,6.7083;-.7172,.7999,5.7831;-.2333,-1.0552,4.7743;-.0336,-2.1035,5.0666;.708,-.6581,4.3426;-1.3392,-1.0251,3.721;-1.4879,.0178,3.3725;-2.284,-1.3255,4.208;-1.1021,-1.9316,2.5094;-1.9973,-1.9053,1.8589;-1.0076,-2.9775,2.8587;.1259,-1.569,1.6744;.076,-.5174,1.3353;1.058,-1.6856,2.2538;.2076,-2.2092,.777;-.6162,-2.5601,7.8439;-1.7723,-.7588,6.8237;-2.7751,-.4768,6.4906;-2.8749,-2.4586,7.9822;.4728,.1784,11.6345;.3943,.4237,12.7101;1.4036,.6368,11.251;.585,-.9172,11.5434;-.7475,.6604,10.8539;-1.6619,.1963,11.2601;-.8729,1.7519,10.9927;-.667,.3277,9.3632;-.4603,-.7524,9.2431;.1896,.8518,8.8984;-1.9521,.7139,8.6217;-3.0573,.6038,9.1483;-1.8013,1.47,7.8106;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604305952030</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000112027424 0.000018770117 0.008968646364 0.002436926917</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.004016873571 0.002677915714</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.019679883 0.000011331 0.000129847 0.000167342 0.000382877 0.000997500 0.001617370 0.001979616 0.002454468 0.002740277 0.003084180 0.003574969 0.004277308 0.004770886 0.006294189 0.007427681 0.007553829 0.008741723 0.009730297 0.011822301 0.012834956 0.016025382 0.019163835 0.021932804 0.023179436 0.025174481 0.029578368 0.030635299 0.031842840 0.033357638 0.034913224 0.035372378 0.040188360 0.041051728 0.042552962 0.044790892 0.046537159 0.047002172 0.052009580 0.052725847 0.054231685 0.055709468 0.058110717 0.059326920 0.064670152 0.067551978 0.069301815 0.072633029 0.076878223 0.077340516 0.077965506 0.079425940 0.081877759 0.084290017 0.088943766 0.096400927 0.099686477 0.100094999 0.105092488 0.106727124 0.109932437 0.112880121 0.115962673 0.130557645 0.133205242 0.135465543 0.139264608 0.146553977 0.156177732 0.160803755 0.163981545 0.169124028 0.170292060 0.173712046 0.179188619 0.183739370 0.189564329 0.196344311 0.202377620 0.208836314 0.220411104 0.229493383 0.241889329 0.256120229 0.276240687 0.293860419 0.310325447 0.345404947 0.399968639 0.417618464 0.431102373 0.478333899 0.539730659 0.574961756 0.590931760 0.608507337 0.663128859 0.694447555 0.735258252 0.752624549 0.758213165 0.771168109 0.773674430 0.778712992 0.783489203 0.797568745 0.804563105 0.818833334 0.819804246 0.837689443 0.847227587 0.852959013 0.867541238 0.885396756 0.890951306 0.895346657 0.897573695 0.910635920 0.918736765 0.930930195 0.933908969 0.953367791 0.980175056 1.011601316 1.469058146 1.554206284</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">145</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51147628" y3="-2.18605313" z3="10.87840318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47980829" y3="-1.24137845" z3="10.30551384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26530472" y3="-1.96097212" z3="11.93290699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54687679" y3="-2.57783797" z3="10.85037799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52810332" y3="-3.19452075" z3="10.29266573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52665127" y3="-4.13079685" z3="10.88701403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.5018342" y3="-2.78993648" z3="10.33190727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82682858" y3="-3.56505693" z3="8.84005127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82777989" y3="-4.03245893" z3="8.77484081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07135199" y3="-4.28794485" z3="8.4850613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65954068" y3="-1.96724687" z3="7.53074341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57829168" y3="-0.26496764" z3="6.05382531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31256569" y3="-0.30609892" z3="6.70838735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.71933732" y3="0.80284118" z3="5.78233485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23447742" y3="-1.05314349" z3="4.77537835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03482682" y3="-2.10104383" z3="5.06881034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70700772" y3="-0.65647577" z3="4.3437417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33971347" y3="-1.02406089" z3="3.72141168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48741606" y3="0.01828815" z3="3.37084178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.2850878" y3="-1.32295264" z3="4.20832325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10246778" y3="-1.93313283" z3="2.51176381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99695407" y3="-1.90705674" z3="1.86021686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.00947749" y3="-2.97843368" z3="2.86316729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12688327" y3="-1.57355725" z3="1.67725954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.07836835" y3="-0.52266913" z3="1.33572939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05815566" y3="-1.68987416" z3="2.25804447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20893089" y3="-2.21597155" z3="0.78150289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61676021" y3="-2.55782898" z3="7.84214925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77339206" y3="-0.75515378" z3="6.82488109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77625464" y3="-0.47383032" z3="6.4915107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.8753335" y3="-2.45700284" z3="7.98121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47412687" y3="0.17694077" z3="11.63316162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39407876" y3="0.41727743" z3="12.70972909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40299876" y3="0.64137917" z3="11.25207821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.59145879" y3="-0.91786159" z3="11.53738836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74783895" y3="0.65673691" z3="10.8539472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.66041093" y3="0.18737839" z3="11.25827317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87786611" y3="1.74712327" z3="10.99656678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66566733" y3="0.32942696" z3="9.36214575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45540413" y3="-0.749624" z3="9.23855905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1896693" y3="0.85781885" z3="8.89981593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95167272" y3="0.71397624" z3="8.62090903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05646137" y3="0.60323492" z3="9.14884059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80193796" y3="1.47190843" z3="7.81098236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5115,-2.1861,10.8784;-3.4798,-1.2414,10.3055;-3.2653,-1.961,11.9329;-4.5469,-2.5778,10.8504;-2.5281,-3.1945,10.2927;-2.5267,-4.1308,10.887;-1.5018,-2.7899,10.3319;-2.8268,-3.5651,8.8401;-3.8278,-4.0325,8.7748;-2.0714,-4.2879,8.4851;-1.6595,-1.9672,7.5307;-.5783,-.265,6.0538;.3126,-.3061,6.7084;-.7193,.8028,5.7823;-.2345,-1.0531,4.7754;-.0348,-2.101,5.0688;.707,-.6565,4.3437;-1.3397,-1.0241,3.7214;-1.4874,.0183,3.3708;-2.2851,-1.323,4.2083;-1.1025,-1.9331,2.5118;-1.997,-1.9071,1.8602;-1.0095,-2.9784,2.8632;.1269,-1.5736,1.6773;.0784,-.5227,1.3357;1.0582,-1.6899,2.258;.2089,-2.216,.7815;-.6168,-2.5578,7.8421;-1.7734,-.7552,6.8249;-2.7763,-.4738,6.4915;-2.8753,-2.457,7.9812;.4741,.1769,11.6332;.3941,.4173,12.7097;1.403,.6414,11.2521;.5915,-.9179,11.5374;-.7478,.6567,10.8539;-1.6604,.1874,11.2583;-.8779,1.7471,10.9966;-.6657,.3294,9.3621;-.4554,-.7496,9.2386;.1897,.8578,8.8998;-1.9517,.714,8.6209;-3.0565,.6032,9.1488;-1.8019,1.4719,7.811;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604306020159</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000090693819 0.000025971686 0.010966753387 0.003504522228</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.004961749388 0.003307832926</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.019001392 0.000021661 0.000087034 0.000144378 0.000363818 0.000959886 0.001606392 0.001878873 0.002402559 0.002631001 0.003001720 0.003497480 0.004271157 0.004780897 0.006286014 0.007428149 0.007548119 0.008709488 0.009731261 0.011798572 0.012813885 0.016024060 0.019155787 0.021932818 0.023164992 0.025176601 0.029577453 0.030594590 0.031843891 0.033355775 0.034904847 0.035201907 0.040186703 0.040629032 0.042549161 0.044791744 0.046536485 0.047002340 0.052008581 0.052725525 0.054230422 0.055599738 0.058110551 0.059325722 0.064670989 0.067552129 0.069302121 0.072623394 0.076877969 0.077340005 0.077955445 0.079425159 0.081876706 0.084266507 0.088936559 0.096400478 0.099686516 0.100094983 0.105072121 0.106725608 0.109930509 0.112880118 0.115962528 0.130557708 0.133201395 0.135465146 0.139264386 0.146553812 0.156178497 0.160800794 0.163938526 0.169110176 0.170281450 0.173713205 0.179181938 0.183729967 0.189553729 0.196343227 0.202386002 0.208836037 0.220412766 0.229491582 0.241891172 0.256116757 0.276215238 0.293860395 0.310325024 0.345404000 0.399921442 0.417616188 0.431103345 0.478333899 0.539730445 0.574934316 0.590932254 0.608508969 0.663129183 0.694421750 0.735258222 0.752624517 0.758213286 0.771159204 0.773674213 0.778713005 0.783488933 0.797568842 0.804563122 0.818833339 0.819804238 0.837563683 0.847226825 0.852959566 0.867540756 0.885303970 0.890951187 0.895301777 0.897564172 0.910631406 0.918736643 0.930697000 0.933878696 0.953341986 0.980174719 1.011600164 1.469061260 1.554205730</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">146</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-3.51094334" y3="-2.18701889" z3="10.88002305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47781189" y3="-1.24273153" z3="10.30647706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26358673" y3="-1.96179798" z3="11.93423459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54719745" y3="-2.57663116" z3="10.8529162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.53006405" y3="-3.19796039" z3="10.29440936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53103797" y3="-4.1341856" z3="10.88879259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50282738" y3="-2.79600827" z3="10.33369501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82952058" y3="-3.56798756" z3="8.84178192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83125548" y3="-4.03376655" z3="8.77654127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07519259" y3="-4.29218345" z3="8.48683134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65975849" y3="-1.97129978" z3="7.5333734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.5758982" y3="-0.2712297" z3="6.05586666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31479172" y3="-0.31656229" z3="6.7103669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.7137589" y3="0.7976631" z3="5.78675487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23432466" y3="-1.05728819" z3="4.77543871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03834362" y3="-2.10674744" z3="5.06589905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70875913" y3="-0.66266609" z3="4.34540135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.3387311" y3="-1.02138908" z3="3.72074806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48268939" y3="0.02253235" z3="3.37331441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28552662" y3="-1.31866927" z3="4.20591152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10365331" y3="-1.92745158" z3="2.50840117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99751168" y3="-1.89608998" z3="1.85620977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01471963" y3="-2.97421761" z3="2.85649831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12767338" y3="-1.56970054" z3="1.67598252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08305656" y3="-0.51772208" z3="1.33723275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05807201" y3="-1.69079006" z3="2.2572371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20830916" y3="-2.20997795" z3="0.77856017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61773545" y3="-2.56217058" z3="7.84645392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77214208" y3="-0.75956357" z3="6.82632627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77446229" y3="-0.47866167" z3="6.49091458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87629879" y3="-2.45993703" z3="7.98274578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47546162" y3="0.18521983" z3="11.63216532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39463696" y3="0.4262543" z3="12.70847688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40294378" y3="0.65207" z3="11.25067079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.59630943" y3="-0.909447" z3="11.53730159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74799913" y3="0.66045686" z3="10.8524101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65945721" y3="0.19066273" z3="11.25855397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.879895" y3="1.7509619" z3="10.99211779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66615732" y3="0.32909004" z3="9.36139818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45572178" y3="-0.75029906" z3="9.24095222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.18883326" y3="0.85645085" z3="8.89719486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95248128" y3="0.71117468" z3="8.61932832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05719276" y3="0.60030328" z3="9.14749065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80331266" y3="1.46869932" z3="7.80897252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5109,-2.187,10.88;-3.4778,-1.2427,10.3065;-3.2636,-1.9618,11.9342;-4.5472,-2.5766,10.8529;-2.5301,-3.198,10.2944;-2.531,-4.1342,10.8888;-1.5028,-2.796,10.3337;-2.8295,-3.568,8.8418;-3.8313,-4.0338,8.7765;-2.0752,-4.2922,8.4868;-1.6598,-1.9713,7.5334;-.5759,-.2712,6.0559;.3148,-.3166,6.7104;-.7138,.7977,5.7868;-.2343,-1.0573,4.7754;-.0383,-2.1067,5.0659;.7088,-.6627,4.3454;-1.3387,-1.0214,3.7207;-1.4827,.0225,3.3733;-2.2855,-1.3187,4.2059;-1.1037,-1.9275,2.5084;-1.9975,-1.8961,1.8562;-1.0147,-2.9742,2.8565;.1277,-1.5697,1.676;.0831,-.5177,1.3372;1.0581,-1.6908,2.2572;.2083,-2.21,.7786;-.6177,-2.5622,7.8465;-1.7721,-.7596,6.8263;-2.7745,-.4787,6.4909;-2.8763,-2.4599,7.9827;.4755,.1852,11.6322;.3946,.4263,12.7085;1.4029,.6521,11.2507;.5963,-.9094,11.5373;-.748,.6605,10.8524;-1.6595,.1907,11.2586;-.8799,1.751,10.9921;-.6662,.3291,9.3614;-.4557,-.7503,9.241;.1888,.8565,8.8972;-1.9525,.7112,8.6193;-3.0572,.6003,9.1475;-1.8033,1.4687,7.809;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604306126127</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000261613076 0.000044092225 0.005352513268 0.001206713124</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001720097508 0.001146731672</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.018966304 0.000029317 0.000128805 0.000159120 0.000365756 0.000955185 0.001604674 0.001858038 0.002387414 0.002613662 0.003001711 0.003489075 0.004271639 0.004782616 0.006287400 0.007428881 0.007550105 0.008697746 0.009730872 0.011795432 0.012811289 0.016024130 0.019152988 0.021932788 0.023162434 0.025176721 0.029576608 0.030583126 0.031843730 0.033354769 0.034900172 0.035157964 0.040185987 0.040530071 0.042549469 0.044792666 0.046536424 0.047002316 0.052008593 0.052725823 0.054230461 0.055574368 0.058110845 0.059325865 0.064670247 0.067552176 0.069301749 0.072619873 0.076878298 0.077340297 0.077951966 0.079425567 0.081876940 0.084263654 0.088934263 0.096401873 0.099686516 0.100094993 0.105071180 0.106726052 0.109930215 0.112880231 0.115962582 0.130557714 0.133199142 0.135465084 0.139264688 0.146553545 0.156179849 0.160798445 0.163940729 0.169105901 0.170278145 0.173714929 0.179183071 0.183728452 0.189554373 0.196344896 0.202388385 0.208838172 0.220415927 0.229495965 0.241892399 0.256116121 0.276202732 0.293861737 0.310324798 0.345403988 0.399906255 0.417614990 0.431104263 0.478334133 0.539730125 0.574924490 0.590932477 0.608509617 0.663129828 0.694431286 0.735258834 0.752624559 0.758213351 0.771154435 0.773674296 0.778713526 0.783489848 0.797569020 0.804563003 0.818833408 0.819804332 0.837531567 0.847227093 0.852960621 0.867541026 0.885283368 0.890951114 0.895285358 0.897561948 0.910630149 0.918736972 0.930672179 0.933874705 0.953340956 0.980177079 1.011601189 1.469067367 1.554204886</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="-3.51123213" y3="-2.18677248" z3="10.87993313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.47840572" y3="-1.24231291" z3="10.30672582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26430523" y3="-1.96174964" z3="11.93428141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.54727317" y3="-2.57687271" z3="10.85240934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.52971568" y3="-3.19703272" z3="10.29423155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.53010134" y3="-4.13327211" z3="10.88857427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.50274081" y3="-2.79443639" z3="10.33354419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.82895095" y3="-3.56716627" z3="8.84159061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.83046225" y3="-4.03343163" z3="8.7763948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.07428256" y3="-4.29101167" z3="8.48669817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65978886" y3="-1.97047589" z3="7.53254263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.57651739" y3="-0.27000971" z3="6.05502689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.31405426" y3="-0.31419953" z3="6.70974842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-0.7152938" y3="0.79860005" z3="5.78537866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23393723" y3="-1.05639802" z3="4.77510309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.03650599" y3="-2.105342" z3="5.06635676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="0.70850352" y3="-0.66078119" z3="4.34457135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33873504" y3="-1.02284375" z3="3.72081062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48451825" y3="0.02063781" z3="3.37285314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.28480449" y3="-1.32134748" z3="4.20660228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-1.10267379" y3="-1.92918079" z3="2.50889689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-1.99693147" y3="-1.89988862" z3="1.85722576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-1.01156167" y3="-2.97552882" z3="2.85756608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.12746017" y3="-1.56954643" z3="1.67558968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="0.08083236" y3="-0.51770558" z3="1.33679904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0584144" y3="-1.68898856" z3="2.2562296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.20856762" y3="-2.20975346" z3="0.77816598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.61758637" y3="-2.56121149" z3="7.84555092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.77257979" y3="-0.75924996" z3="6.82509501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.77504116" y3="-0.47778782" z3="6.49065451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.87621593" y3="-2.45919059" z3="7.98257487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47519398" y3="0.18286582" z3="11.6324521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.39571687" y3="0.42537504" z3="12.70853823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40367123" y3="0.64671749" z3="11.24983676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.59285438" y3="-0.91210042" z3="11.53885647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.74741927" y3="0.66059921" z3="10.85295891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.65973407" y3="0.19275513" z3="11.25949116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.87698637" y3="1.75142017" z3="10.99240744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66668988" y3="0.32875749" z3="9.36205447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4577352" y3="-0.7508853" z3="9.24163481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.1887305" y3="0.85486106" z3="8.8973559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.95275624" y3="0.71241962" z3="8.62071574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05748856" y3="0.60153598" z3="9.14851086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-1.80339042" y3="1.4693164" z3="7.80983453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.5112,-2.1868,10.8799;-3.4784,-1.2423,10.3067;-3.2643,-1.9617,11.9343;-4.5473,-2.5769,10.8524;-2.5297,-3.197,10.2942;-2.5301,-4.1333,10.8886;-1.5027,-2.7944,10.3335;-2.829,-3.5672,8.8416;-3.8305,-4.0334,8.7764;-2.0743,-4.291,8.4867;-1.6598,-1.9705,7.5325;-.5765,-.27,6.055;.3141,-.3142,6.7097;-.7153,.7986,5.7854;-.2339,-1.0564,4.7751;-.0365,-2.1053,5.0664;.7085,-.6608,4.3446;-1.3387,-1.0228,3.7208;-1.4845,.0206,3.3729;-2.2848,-1.3213,4.2066;-1.1027,-1.9292,2.5089;-1.9969,-1.8999,1.8572;-1.0116,-2.9755,2.8576;.1275,-1.5695,1.6756;.0808,-.5177,1.3368;1.0584,-1.689,2.2562;.2086,-2.2098,.7782;-.6176,-2.5612,7.8456;-1.7726,-.7592,6.8251;-2.775,-.4778,6.4907;-2.8762,-2.4592,7.9826;.4752,.1829,11.6325;.3957,.4254,12.7085;1.4037,.6467,11.2498;.5929,-.9121,11.5389;-.7474,.6606,10.853;-1.6597,.1928,11.2595;-.877,1.7514,10.9924;-.6667,.3288,9.3621;-.4577,-.7509,9.2416;.1887,.8549,8.8974;-1.9528,.7124,8.6207;-3.0575,.6015,9.1485;-1.8034,1.4693,7.8098;</scalar>
</formula>
</molecule>
                  <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" id="irc-center.0" units="nonsi:hartree">-774.604306138182</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">-130.91504486 13.51568147 26.59799462 32.73008690 40.47916497 50.26793950 74.73016204 83.85596118 93.87708975 111.06381372 134.70641208 139.90279675 147.20853305 152.58450520 179.75554579 218.26530476 242.61852064 258.89906243 262.21531822 275.06554702 296.89707342 300.09681506 309.27717332 363.62044223 388.89501455 421.01496349 446.09495597 478.90081302 517.38159502 557.46189328 616.94838318 677.50559306 751.57004386 757.65916942 769.57042014 782.42533341 792.34894882 806.52450988 846.45062207 876.47078487 887.17676265 892.18791185 895.18693747 932.22608151 935.49730431 959.16618854 983.65212066 990.17212621 1006.20298246 1030.34556778 1040.46524730 1077.47960972 1097.61061191 1114.97866616 1127.52669541 1129.85092970 1137.41102143 1143.57963661 1160.25169297 1181.69936741 1199.23836918 1210.73706392 1234.34021962 1268.29460594 1270.65025847 1301.94084946 1306.76641822 1316.12980755 1329.89307043 1331.39626570 1333.41825046 1349.03560681 1376.24488631 1387.24955803 1389.37596501 1396.37572511 1408.02125103 1418.39021086 1421.33323222 1423.51415347 1427.98849432 1439.39015938 1457.46619862 1471.79499754 1475.79223541 1478.37532070 1485.67603858 1486.91375236 1489.12482751 1491.61636764 1492.04477532 1495.61014789 1496.71853868 1500.91023099 1501.87293980 1506.74927904 1533.33843711 1708.66877714 1749.04393772 2883.44858599 2978.73662134 2998.37758432 3001.14396474 3003.59641156 3009.71750923 3010.42267522 3016.59198259 3021.71756978 3023.07293706 3026.29560647 3028.99146568 3057.38013886 3065.98222719 3068.97146561 3077.80449273 3079.78866190 3088.19770252 3088.36556197 3090.98956341 3101.52356386 3103.55524091 3104.77950141 3117.47730639 3119.03837594 3122.83138646 3192.09163324</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="126">6.42530179 3.60778282 2.56430256 3.27213501 2.34323210 3.40838426 2.51012757 3.11812881 3.92278572 3.31994417 2.47607304 3.77263569 3.10404628 3.40371971 2.66660639 2.12558082 2.03426363 1.13045149 3.33615796 3.86321085 1.58352362 1.53536351 1.59320046 3.07278503 2.78175910 2.57504970 2.60864211 2.73839476 2.40301101 2.73221410 2.80166107 3.16630185 1.20913520 1.15017559 1.17961562 1.68332811 2.73737540 1.74194961 1.48983050 1.35888437 2.39586610 2.34705730 1.96039983 1.66585418 1.75682445 1.65172825 1.28024904 1.95376434 1.59689419 1.65245808 1.71427591 2.25837134 2.45212463 2.08248981 1.99900338 1.90545756 1.94127490 1.75085334 1.85587142 2.19014806 1.83278780 3.12685679 1.47395391 1.31972865 1.30161680 1.23137860 1.23491146 1.34421749 1.14294751 1.09914152 1.19057341 1.24790646 1.39493664 1.35784911 1.36440241 1.34835912 1.25402876 1.60472003 1.48789979 1.39450059 1.38269448 1.31346352 1.09448322 1.17363776 1.11410221 1.08561439 1.07545260 1.06091267 1.05896258 1.08054129 1.09161385 1.09397725 1.10166796 1.08128505 1.06626408 1.89703508 1.06522875 8.39980279 9.89079363 1.08691375 1.06727447 1.03947065 1.06815013 1.06661749 1.06587487 1.03981593 1.05022094 1.05207026 1.06495955 1.06933510 1.06299021 1.09612201 1.10357570 1.09708401 1.10200951 1.10184583 1.10316642 1.10040627 1.10371008 1.10401862 1.10167006 1.09893184 1.10431217 1.10268474 1.10328045 1.08941990</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">0.0318659031 -0.0286410163 -0.0101939345 0.0445977773 -0.0490380875 0.0184841317 0.0332502235 -0.0225584323 0.0018553135 0.0306566436 -0.0431434865 -0.0301098788 0.0261512777 0.0060240002 -0.0151281599 0.0342595181 0.0237987536 -0.0313916659 0.0168052920 0.0214147524 0.0085187655 0.0239099638 -0.0010778354 -0.0268573322 0.0344926408 -0.0276278660 -0.0646017549 0.0399510569 0.0252463854 -0.0424549123 -0.0402102094 -0.0294182809 -0.0075263515 -0.1004923787 -0.0780893321 -0.0023490283 -0.0411770268 -0.0928857444 0.0215170777 -0.0532964264 -0.0885845542 0.0246761075 -0.1356701133 0.0486733228 -0.0295014058 -0.1808812072 0.0836501684 -0.0748882210 -0.1146416516 0.1030182676 0.0356371732 -0.1078964713 0.0103783416 -0.0313893861 -0.1086561835 -0.0104716255 -0.0079588357 -0.0748689348 0.0109209020 -0.0690731465 -0.0980810350 -0.0023270676 -0.0232820662 -0.0976194316 -0.0026021078 -0.0226334301 -0.0910419588 -0.0023731820 -0.0206361017 -0.0943177980 -0.0051930012 -0.0290571416 -0.0911487529 -0.0004816280 -0.0334724402 -0.0869849209 -0.0108071662 -0.0283013251 -0.0967800899 -0.0005803519 -0.0306838638 0.1118989968 0.0493755924 -0.0103031152 -0.2701776341 -0.2232966344 -0.0421613210 -0.1209545056 -0.1318353338 0.0039582721 0.0192021838 -0.0418342335 -0.0067798735 -0.0213559907 -0.0398698186 -0.1018445086 -0.0091372683 -0.1095798321 -0.1981572622 -0.0105979680 0.0116697996 -0.0116371637 -0.1441339768 0.0007328603 -0.1175209281 0.1089097974 -0.0630346876 -0.0599414905 0.0942008681 -0.1207450838 -0.1591814087 0.2477109618 -0.1101038969 -0.0489027845 0.0865109813 0.0633661481 0.1071228884 -0.1055137084 0.0455271280 0.1784734733 0.1111679077 0.0950549624 0.1554997782 0.2476878059 0.1784788865 0.1592365691 0.1742997207 0.1472719011 0.1301874741 -0.0205752095 -0.1015732929 0.0918902976 -0.0378934427 -0.0412475126 -0.0331243503 -0.0027470655 -0.0400027225 -0.0040440581 -0.0343782434 -0.0634446466 -0.0486970414 -0.0475632404 -0.0604415832 -0.0576550968 -0.0770739216 0.0124035717 -0.0223516665 -0.1105376446 0.0178460284 -0.0580379932 -0.0733880759 0.0331918555 0.0057414787 -0.0806065170 0.0369696611 0.0009376075 -0.0875963958 0.0237860779 -0.0195092244 -0.1103211368 0.0689262745 0.0103046092 -0.0366912330 0.0621121967 0.0750533481 0.0082581480 0.0847303996 0.1488873466 0.0187815183 0.1744556141 0.2014302094 -0.0464170907 0.0201894499 0.2065810897 0.0488983294 0.0645135928 0.0578349800 0.1175292128 0.1315531722 0.0077774243 0.0328725609 0.0779655604 0.0982297378 0.0304528586 -0.0576261194 -0.0219993632 -0.0564163517 -0.1195312239 0.0155429448 0.0499997030 -0.0545534284 -0.0393944758 0.0966072002 -0.1086366434 -0.1303833598 0.0763296507 -0.1862789216 -0.1846291180 0.1854157494 -0.0547727495 -0.1614288301 0.0789104393 -0.1300322373 -0.1343997016 -0.0084666664 -0.1801081759 -0.1029573441 0.1069694590 -0.0556121959 -0.0885037839 0.1239255019 -0.1717835486 -0.2150701228 -0.0884216393 0.0740552067 0.0713809329 0.0242127858 0.0722111410 0.1076928393 0.0494342842 0.0605521419 0.1079191197 -0.0392645683 0.0401278085 0.0384293724 -0.0374148116 -0.0687309625 -0.0851203898 -0.0213694210 -0.1582640166 -0.1386825777 0.0092142835 -0.0086472839 -0.0186342522 -0.1449923211 -0.0236393232 -0.1127938671 0.0194425818 -0.0864960867 -0.0664033328 -0.0260461659 -0.1457395293 -0.1338346716 0.1265038378 -0.1360014523 -0.0415000140 -0.0017689585 0.0362780172 0.0066606402 -0.1068032812 0.0874878118 -0.0168720148 0.0548949644 0.0985012314 0.0755562466 0.0392794920 0.0201945703 0.0207968423 0.0620064200 0.0026532487 -0.0117719897 0.0791546445 0.0407363757 0.0611716986 0.0166706287 0.0528732346 -0.1733088096 0.0413905540 0.0759863192 -0.1834805316 -0.0149835495 0.0640684027 -0.2821319484 0.0971737681 0.1058307475 -0.1143199592 -0.0749938723 -0.0670966439 -0.0829740293 -0.1144223902 -0.1209845290 -0.0478991463 -0.1266782977 -0.1288022481 -0.1604235573 -0.0517774308 -0.0481974226 0.0659976241 -0.0023581840 -0.0076856743 0.1256839704 -0.1227880749 -0.1175587909 0.1191703236 -0.0237887128 -0.0256414649 0.0435906293 -0.0009248282 -0.0057036108 0.0066931603 0.0098684249 -0.0233152222 0.0034240291 0.0018101842 0.0061782942 -0.0057447996 -0.0020766113 0.0033035030 -0.0015263756 0.0019129769 -0.0148929539 0.0175750931 0.0152394321 -0.0004882628 -0.0271939782 -0.0259504426 0.0374554487 -0.0021600373 -0.0508253321 0.0620989453 -0.0366405710 -0.0340651741 0.0605313061 0.0392706932 -0.0084775967 0.0109301456 -0.0127509354 -0.0365315915 0.0514430842 -0.0067229318 0.0175410775 -0.0218924850 0.0356720937 0.0126940573 -0.0251802187 -0.0932830096 -0.0105804475 0.0081256641 -0.1450307697 0.0437210709 -0.0721563098 -0.1002723389 0.0221134199 -0.0397504159 -0.0987119845 -0.0488061415 -0.0666712079 0.0382018973 -0.0189058188 -0.0101861017 0.0251039107 0.0002384469 0.0264950002 0.0388155211 0.0018522829 -0.0021251895 0.0643364790 0.0338990526 0.0646213239 0.0278479800 0.0050921987 0.2307874838 0.0526536569 -0.0805920402 -0.0640780141 -0.0988224801 0.1917075428 -0.0444117190 0.1236224445 0.0149694677 0.1506192606 0.0374247380 0.1243504544 0.2752779872 0.1630051736 -0.1401852442 0.2674291094 -0.0556154055 0.0534354632 -0.0717824815 0.0062759576 0.1951578513 -0.1875280425 0.0895502606 -0.0668658535 -0.1942198401 -0.1137126598 0.0679720843 0.0023580395 0.0246065366 0.0503956954 0.0044499350 0.0357667967 0.0653131300 0.0106314772 0.0028592284 -0.0170454423 0.0942103094 -0.0288701550 -0.0441632191 0.0675404777 -0.0153883367 -0.0260023098 0.1294217482 -0.0166034666 0.0056838234 0.0865603341 -0.0430630446 -0.0001458910 0.0897119826 -0.0384228682 0.0184068829 0.1024788593 -0.0387132188 -0.0074968223 0.0917325960 -0.0347183960 0.0056222698 0.0652109784 -0.0514953920 0.0176001462 0.0596870354 -0.0613416278 0.0126089137 0.0681336798 -0.0556576839 -0.0326528670 0.0394900271 -0.0388752440 -0.0414036924 0.0289127524 -0.0137848241 -0.0599185025 0.0372754814 -0.0206748681 -0.0406762577 0.0245627327 -0.0090331902 -0.0429317512 0.0092865674 0.0084435583 -0.0433077984 0.0176185860 0.0001177718 -0.0688667355 0.0021836802 0.0246486376 -0.0082654764 -0.0157582503 0.0226761398 -0.0242952501 -0.0219332693 0.0239846534 0.0249219650 0.0061105811 0.0158281122 0.0079799139 -0.0628102943 0.0443058603 0.0373480176 -0.0769762252 0.0536067121 0.0271760313 -0.0567204904 0.0441599247 -0.0352961143 -0.1007363110 0.0545404075 -0.0588401880 -0.1086929659 0.0558730283 -0.0613600241 -0.0870881169 0.0488018044 -0.0193924909 -0.1359641185 0.0667034397 -0.0571620107 0.0329155234 -0.0408910568 -0.0218432219 0.0369663393 -0.0296095845 0.0014375547 0.0394657740 -0.0256053643 -0.0081102042 0.0470581484 -0.0450630646 0.1796367996 -0.2451939637 0.0644786020 0.1732009436 -0.2124208440 0.1272586940 0.1930361516 -0.3332521737 -0.1206788456 0.2608548500 -0.3597188859 0.1887442896 0.0694163826 -0.0361100217 0.0628358192 0.0491623226 0.0392238981 0.2375552825 0.0001744600 0.0717455974 -0.0494245382 0.0731902148 -0.0638999946 -0.0149616678 0.1335415524 -0.1256642151 0.0351727378 0.0759892698 -0.1056698779 -0.1259505653 -0.0069855901 0.0365258145 -0.0168695232 -0.0674094183 0.0573388965 0.0544796926 -0.0103311212 0.0798674687 -0.0965009030 -0.0258579522 -0.0564312285 0.0265682920 -0.0205033305 -0.0514970846 0.0240928045 -0.0114133295 -0.0770720900 0.0553443908 -0.0625284907 -0.0678301045 0.0169459069 -0.0043386545 -0.0199761741 0.0031521372 -0.0043028384 -0.0172959273 -0.0002529398 0.0235763709 -0.0061684255 0.0183176443 -0.0186850285 -0.0019361627 -0.0359062888 -0.0465139924 -0.0126995127 -0.0501975681 -0.0019322677 0.0223256155 -0.0502510338 0.0038067615 0.0137190415 -0.0337577350 0.0054383351 0.0124836460 -0.0351191824 -0.0071963425 -0.0336026919 -0.0660614381 0.0462271047 0.0435974052 -0.0597034584 -0.0213688719 0.0234898693 0.0269738017 -0.0604543504 -0.0451415203 0.0854747634 -0.0035205735 -0.0000752601 -0.0323849013 -0.0251602145 0.1473932161 0.0913484388 -0.0829617360 0.2470428438 -0.0347200323 -0.0091567917 0.2528660891 0.2202784837 0.0222184688 0.0117802666 0.1521525913 -0.0207823036 0.1849267865 0.2221702973 0.0903663315 -0.1315747541 0.3468238873 0.0441754947 -0.1642702276 -0.1222480812 -0.0149185462 -0.0188574631 -0.3322233449 0.0950308443 -0.3685751691 -0.1906101182 0.0715536298 -0.2436308326 -0.0638764788 0.0280882681 0.0297724913 -0.0309032989 -0.0036579987 0.0072214657 -0.0318199224 -0.0131344304 -0.0011931211 -0.0357329450 -0.0202811426 -0.0020291573 -0.0374242673 0.0053885651 0.0428888703 0.0224542936 0.0117037354 0.0058656207 0.0222210173 0.0302919588 0.0859170360 0.0792902073 -0.0299635467 0.0884973972 -0.0261817482 0.0106149954 -0.0202180767 0.0119036334 -0.0105006759 -0.0589850143 -0.0415380848 0.0419299532 -0.0648912826 0.0574861158 0.0028807951 0.0233885556 0.0114129095 -0.0240200445 0.0540145188 -0.0141075018 0.0257740950 0.0512411125 0.0458636853 -0.0005780685 -0.0075405359 0.0013973437 -0.0045024285 -0.0252806638 -0.0113342499 -0.0040952447 -0.0190814853 0.0139232461 0.1070315591 0.1274745302 -0.0713292371 0.0743232127 0.0653348468 -0.0130137370 0.0703855501 0.2115073206 -0.1019568331 0.2001882829 0.1036048759 -0.1186075389 0.0726247946 0.1303363035 -0.0498873221 0.0904745817 0.1821750195 -0.1010733630 -0.0042550305 0.1482354553 -0.0138957010 0.1132670956 0.0385104872 -0.0110461846 0.1895894855 0.0388556628 -0.0184775994 0.0981470754 0.0118949191 0.0032807667 0.0108423896 -0.0408300134 0.0424069078 0.0099561159 -0.0493191146 0.0635720690 0.0219956963 -0.0432006383 0.0741936681 0.0075069605 -0.0551546136 0.0693055119 0.0139538226 -0.0291258104 0.0398342813 0.0147656835 -0.0697974113 0.0805516295 0.0633404993 -0.0321602925 -0.0184983849 -0.0551590118 0.0632984728 0.0343517226 -0.0561410675 0.1147604834 -0.0212319341 -0.1122363043 0.0670777474 0.1045200090 -0.0624904733 0.0951485109 0.0085626604 -0.1503702467 0.2067203347 0.0187111389 -0.0646725799 0.0148289342 0.1028310764 0.0428636949 0.0902832166 -0.1511383749 0.0652079227 0.1808970886 -0.2595006478 0.1245617961 -0.0424665659 -0.1733136618 0.0216323760 0.1275047863 -0.1477017653 -0.0361347118 -0.0322676090 0.0397622145 0.0119354737 -0.0509824571 0.0604407532 0.0147816908 -0.0619570926 0.0574959015 0.0775171354 -0.0141981428 0.0175509673 -0.0866321209 -0.1474977171 -0.0385450965 -0.0796432796 -0.1854040748 -0.0704657390 -0.0660623113 -0.1467882793 -0.0595577827 -0.1318223437 -0.1652048495 -0.0031605147 -0.0646755403 -0.0812587016 -0.0167305796 -0.0918742840 -0.0902769984 -0.0054471412 -0.0123509790 -0.0733026796 -0.0453958814 -0.0747857655 -0.0172305627 0.0218216757 -0.1248645679 0.0229106297 -0.0058800526 -0.0456063405 0.0198312446 0.0699515561 -0.0602220681 -0.0530483409 0.0227337896 -0.0296445415 -0.0418700489 0.0111539829 -0.0474120345 -0.0505196846 0.0449603308 0.0225123210 0.0641709790 -0.1576150995 0.0222299750 0.0568212228 -0.1464216065 -0.0222204311 0.1144507559 -0.2639999319 0.1362923207 0.1043612289 -0.1210031938 -0.0673836056 -0.0482953437 -0.0698864356 -0.1041383067 -0.0937604102 -0.0429558759 -0.1318656431 -0.1038777276 -0.1363151298 -0.0399931367 -0.0360502337 0.0817130215 0.0086068879 0.0192391536 0.1639915997 -0.1047334728 -0.1301870000 0.1364593547 0.0381057221 0.0149846142 0.0168117536 0.0157935340 0.0061122543 -0.0915410694 0.0258435545 -0.0443735086 -0.1119027406 0.0089673732 0.0473895272 -0.1385419019 0.0187542111 -0.0263035302 -0.0684948492 0.0211213335 -0.0576585454 -0.0369176591 0.0058347084 -0.0530797613 -0.0995993443 0.0380012234 0.0089669408 -0.0340343860 0.0535264277 0.0325129289 -0.0540840767 0.0500784155 0.0278108438 -0.0221306433 0.0285765511 -0.0099979274 0.0197241753 0.0698180932 -0.0123040362 0.0423314667 0.0114249471 -0.0104707167 0.0139170692 -0.0125423911 -0.0262477004 0.0573381706 -0.0058450067 -0.0342700613 0.0701201213 -0.0523288483 -0.0136047358 0.0448646648 -0.0118585288 -0.0426103992 0.0873865561 0.0902000554 -0.0034832914 0.0192319807 0.0053269102 0.0346647710 -0.0263759952 -0.0472366153 0.0484259926 -0.0300309562 0.0011872514 0.0231163438 0.0559460061 0.0003291751 -0.0321241362 0.0508071444 0.0317349142 -0.2145866825 0.0349693138 0.1314892990 0.1052141889 0.1763760238 -0.1649498425 0.0812573482 -0.0484014886 0.0058467116 -0.1150558047 0.0360612595 -0.1052611862 -0.2372542188 -0.0849519498 0.1534391868 -0.2299685430 0.1294505425 -0.0327668482 0.1043777173 0.0542213763 -0.1652771444 0.2117582486 -0.0232880020 0.0862504447 0.2225241994 0.1654872698 -0.0552644188 0.0324565240 0.0306647018 -0.0547678845 0.0140990337 0.0159344667 -0.0689045942 0.0083379759 0.0470709318 0.0847160268 0.0193454019 -0.0027332441 0.1040567028 -0.0049283924 0.0475796679 0.0729708405 0.0299974522 -0.0350587327 0.1154856260 -0.0085867874 -0.0455321968 0.0252314219 0.0713578362 0.0214673849 -0.0039498981 0.0931551255 -0.0318109454 0.0015474806 0.0943379590 0.0563622734 0.0357114115 0.0637556461 0.0604851493 0.0592229097 0.0759704268 0.0782225346 0.0208381769 0.0395066632 0.0745143809 -0.0521429033 0.0054582084 0.0216447681 -0.0555679444 0.0110986046 -0.0050183389 -0.0593434341 0.0157144552 -0.0060583518 -0.0659522617 0.0112257421 -0.0079599337 -0.0504006101 -0.0048594043 -0.0102930561 -0.0348470877 -0.0155300689 0.0043845541 -0.0493353618 -0.0155429747 -0.0297149754 -0.0611309806 0.0072147868 -0.0112979962 -0.0717617543 0.0154165658 -0.0234744824 -0.0622593311 0.0170680027 0.0042413196 -0.0551460994 -0.0057260429 -0.0130619175 -0.0448314863 -0.0207157336 -0.0152410612 -0.0462400695 0.0041021330 -0.0213470800 -0.0742111621 -0.0150586623 0.0007806805 -0.0959095142 -0.0329703253 0.0156155641 -0.0806519012 0.0115392626 0.0096298395 -0.0616858186 -0.0318350028 -0.0114955198 -0.1257841620 -0.0592588898 0.0114611846 -0.0420655074 0.0263177923 0.0030492514 0.0027746852 0.0725016101 0.0232248463 0.0392817262 0.0737351408 0.0512657416 0.0973779680 0.1600942734 0.0452090550 0.1111460081 0.0757083741 0.0826970433 0.1595638157 0.3129641070 0.2756184763 0.0289443305 0.3449218568 -0.1734472647 0.0927573820 -0.1480786536 -0.0179671822 0.0704285688 -0.2581425661 -0.2154394332 0.1249238800 -0.3073061192 0.1721686332 0.0807723324 -0.0918804932 -0.0580648903 0.0571138775 -0.0839122039 -0.0598400798 0.1268918720 -0.0665414247 -0.0678383696 0.0470632029 -0.0478070509 -0.0586204540 0.0025556416 -0.0763222428 -0.0458855246 0.0843794272 0.0034091018 -0.0765118090 -0.1307875575 0.1081462022 0.0004752204 -0.1920613387 0.1023304453 -0.0449996240 -0.1355067069 0.1521566936 0.0418916298 -0.1175407847 0.1394050518 0.0407310384 -0.0431149724 0.0140251213 -0.0306823140 0.0411622982 0.0327718212 0.0183358388 -0.0730551319 -0.0101435262 -0.0600443745 -0.0208851665 -0.0726169450 -0.0747140003 0.0150276240 -0.0890479798 -0.1050929731 -0.0004176556 -0.0643471274 -0.0877802790 -0.0208809343 -0.0779711260 -0.0053271794 0.0362150436 -0.0563182560 0.0686629234 0.0271530534 -0.0168892289 0.0833824133 0.0280349026 -0.0844556293 0.0973313092 0.0444654818 -0.0532942243 0.0571266111 0.0458650180 -0.0405756832 0.0448528165 0.0484685166 -0.0442699783 0.0689922630 0.0361587744 -0.0614994125 0.0443815018 0.0694362674 -0.0743108192 0.0691794281 0.0090879963 -0.1015544419 0.0193090239 0.0063029267 0.0136593155 0.0228538077 -0.0600782951 0.0817795634 0.0216372174 -0.0316355527 -0.0290291243 0.0594034090 0.1067980258 0.0671716984 -0.0489940214 0.1924648515 0.1408372447 -0.1112648716 0.1534813766 -0.0431494546 -0.0766515643 0.0546357185 0.1464238498 -0.0168767041 -0.0642377968 -0.0640738942 -0.0073750184 0.0521963105 -0.0630239761 0.0304437216 0.0868259844 -0.0670468086 0.0344961498 -0.0637396560 -0.1319963905 -0.0487287930 0.0798566803 0.1068026223 0.0469821220 0.0958040312 0.0092855012 0.0957408151 0.1649967605 0.2297226309 0.1942391092 0.0164661469 0.2404995769 -0.1074636250 0.0393295568 -0.0837560407 -0.0070165336 -0.0065078165 -0.1673000160 -0.1251156439 0.0706654955 -0.1970378104 0.1245386984 0.0239205896 -0.0016849144 -0.0589097087 -0.0075579972 -0.0051670840 -0.0458708109 0.0928069989 0.0256391926 -0.1005295221 -0.0401457225 0.0910085085 -0.0501390803 -0.0300407871 0.2253346130 0.0616246917 -0.0975201335 0.0947825684 -0.1621609149 0.0407771883 -0.1495933698 -0.0337400442 0.0901551188 -0.1100477233 -0.0437830973 0.0655003692 -0.2239260583 -0.0351005418 -0.0257472612 -0.1515695485 -0.0260335289 0.0122299837 -0.0990552425 -0.0292126905 -0.0528307782 -0.1451286751 -0.0257554096 0.0756750027 -0.0945036753 -0.0326585878 -0.0233788101 0.0188736326 -0.0061469659 -0.0906501069 0.0087208984 -0.0151585320 -0.0641082465 0.0730357020 0.0046308047 0.0460910489 0.0670922204 0.0286603558 -0.0817412746 -0.0394918630 0.0538601640 -0.1242913223 0.0163004397 0.0579893803 -0.1571244609 -0.0611570460 0.0603598818 -0.0376287554 -0.1539351699 0.0433300967 0.0247699548 -0.1830793217 0.0868541907 -0.0582078514 -0.2050006422 -0.0186761621 -0.0685865396 -0.1238616923 0.0359911142 -0.0103883117 -0.1162193942 0.0470808783 -0.1249419524 -0.1758891595 0.0282353097 -0.1297588344 -0.0052657259 0.0262610073 -0.2175393100 0.1129940228 0.0400253214 -0.2070641171 -0.0819932668 0.0884496485 0.0094707979 0.0696263874 -0.0756317263 0.1593681236 0.1941201090 -0.1791553075 0.0561462881 -0.1161254576 -0.1367323913 -0.0781916142 0.1880314418 0.0079254475 0.0376830170 0.0838857727 0.0299002689 0.0185734693 0.0412629732 0.0418089839 0.0369296439 0.0180322599 0.0381573342 0.0727619393 0.0800193925 0.0173478817 0.1120751698 -0.0254513925 0.0399087247 0.1203014891 -0.0780444462 0.1121709630 0.1884365638 -0.0150025047 -0.0220825910 0.1195092355 -0.0366851806 0.0520279880 0.0074274332 0.0392982344 0.0114654453 -0.0576173175 0.0281973787 0.0643808791 0.0097929116 0.0448390896 0.0038668882 -0.0059396208 0.0986049435 -0.0428525596 -0.0209555618 0.1293522921 -0.0729178324 0.0289184406 0.1314275037 -0.0156132314 -0.0206480063 0.0543865755 -0.0540827193 0.0000928673 0.0412183806 -0.0795073060 0.0010034438 0.0646413717 -0.0282503571 0.0468483378 -0.0532798947 -0.0243662385 0.0458137321 -0.0350796779 -0.0491772498 0.0504063016 -0.0667171533 -0.0271170346 0.0356557263 -0.0343220909 0.0029220877 0.0504668616 -0.0822434110 -0.0196026103 0.0403160364 -0.1117354172 0.0097913078 0.0704683089 -0.0994334833 -0.0471870704 0.0386260199 -0.0448485381 -0.0095245323 0.0191766372 -0.0465086585 -0.0099135676 0.0265294424 -0.0318826582 -0.0058064361 0.0319187164 -0.0370399515 0.0048867023 0.0277909183 -0.0088343823 0.0883616926 0.0319029160 0.0234566278 0.1073174407 0.0756145060 -0.0418176900 0.1358309229 -0.0040722053 0.0957666362 0.0681231538 -0.0417755626 0.1010294194 0.0541292561 0.0623497171 0.1419110314 0.0720759587 -0.0772937211 0.1193414419 0.0260827381 -0.1854006640 0.1366015891 -0.0289370861 -0.0865226492 0.1705597201 0.1091784495 0.0098386115 0.0155625672 -0.0736996590 0.0476804181 -0.1503698863 -0.1425869889 0.1396180275 0.1285257396 -0.1593547445 -0.1069541425 -0.0440300515 0.0126500257 -0.3847669338 -0.2519649922 0.1748425386 -0.0752473193 0.2616369529 0.1626834933 0.0419947465 -0.1945606178 -0.2292872997 0.0221574822 -0.0297622696 0.0059880699 0.0176075615 -0.0572150935 0.0237415889 0.0515375963 -0.0733970193 0.0238588674 0.0662642639 -0.0256901960 -0.0030639059 0.0557412619 -0.0053082494 0.0445270144 0.0618104260 -0.0460228585 0.1201093852 0.1205119150 0.0173117496 0.0186123600 0.0706870777 0.0072173099 0.0239060126 -0.0404533781 0.0016133083 0.0071376116 -0.0872857923 -0.0119743803 0.0325677831 -0.0542010658 -0.0101696518 0.0267388050 -0.0474833895 0.0381895372 -0.0558611431 -0.0480291083 0.0519165707 -0.0717048241 -0.0165540659 0.0583869734 -0.0535882980 -0.0695900807 0.0284258160 -0.0598424119 -0.0331967940 0.0865580366 -0.0381548248 -0.0908901778 0.0173792171 -0.0790964184 -0.0403871853 0.1732404459 -0.0022871867 -0.0859461653 0.2133223597 -0.0974865883 -0.0608473326 0.1989508591 -0.0495275722 0.0154218509 0.2662305367 0.1158804996 -0.0121811850 -0.0401480469 0.0370640981 0.0151576737 -0.1239664849 0.1673557504 -0.0186738895 -0.1417260830 -0.1015404747 -0.0092080685 -0.0312821843 0.0739490294 -0.0011837953 0.0143539830 0.1450217659 0.0068475923 -0.1193654908 0.0816102162 0.0562739997 0.0347330352 -0.0270706355 -0.0400305492 0.0210066754 0.0679214489 -0.0784430998 0.0541816452 0.0630662943 0.0308563442 -0.0116037762 0.1210247970 -0.0922426970 0.1091633784 0.1185567408 -0.1766063600 0.2300368929 -0.0231486466 -0.1162603960 0.1986853064 0.2962949447 -0.0369464149 -0.0686105179 0.0684822207 -0.0364539208 -0.1813054304 0.1885860282 -0.0103243428 -0.1375564853 -0.0572442336 -0.0320192122 -0.0252194315 -0.0119865292 -0.0870769912 -0.0355769970 -0.0497542423 -0.0167019113 -0.0135640234 -0.0203415811 0.0305859953 0.0146336525 -0.0484103400 0.0615021676 0.0416830321 -0.0713684890 0.0709397833 -0.0268673930 -0.0482368469 0.0094831259 0.0581892971 -0.0579631632 0.2422313445 0.1082343711 -0.0069305783 -0.0357047775 -0.0243508946 -0.0267499319 -0.0464390962 -0.0859142852 -0.0463995312 -0.0471291940 -0.0039834676 0.0036538959 0.0185137356 0.0192921025 -0.0222905628 0.0108560704 0.0633467088 -0.0028160503 -0.0117838564 0.0140564059 -0.0000288514 0.0608185145 0.0329630631 -0.0516763161 0.0118223904 -0.0440146997 -0.0362045372 0.0422343696 -0.0361992189 -0.0571969553 -0.0256189634 -0.0537108957 -0.0103368535 0.0199923943 -0.0954401957 -0.0631354355 0.0605749824 -0.1193104438 -0.0500385083 0.0027977082 -0.1202712478 -0.1005535551 -0.0084689684 -0.0706728438 -0.0686188723 -0.0444111436 -0.0925916186 -0.0539544242 0.0174616418 -0.0346468582 -0.0799991648 0.0989816850 -0.0940984851 -0.0267295524 0.1312485192 -0.0703792409 -0.0303682682 0.1057127023 -0.1344685184 -0.0532672964 0.0798099590 -0.0832674172 -0.0095072350 0.0559586269 -0.0906670523 -0.0014960060 0.0014482378 -0.1420798550 0.0178815616 0.0985596596 -0.1061328005 -0.0313028705 0.0275512135 0.0078477841 0.0374386738 -0.0169569887 0.0278267434 0.0755808666 0.0085938115 -0.0024623152 0.0503235731 -0.0347137683 -0.0074464143 -0.0564054369 -0.0130584976 0.0458539421 -0.0251638440 -0.0261985595 0.0304118582 -0.0422552708 0.0804163178 0.0440871030 -0.0006204603 -0.0742105308 0.1614676388 0.0424530868 -0.1824217304 0.3136905860 -0.1352090989 -0.1275402616 0.2696923065 0.2837591526 0.0670685505 -0.0668622647 0.0267347405 0.1110612819 -0.2070760277 0.1915620551 0.1461666052 -0.1428151239 -0.1690830013 0.0494152220 -0.0200209841 0.0221349141 0.0136561373 0.0192548209 0.0229176707 0.0199980998 -0.0431516534 0.0384713779 0.1225384652 0.0232047673 -0.0211660540 0.2732350147 0.1323073195 -0.1040131300 0.1178880784 -0.1373479725 -0.0942684706 0.0409255590 0.1135169011 0.0956559204 -0.0890591576 -0.0860785326 -0.0666179884 -0.0587007361 -0.0148740420 -0.0730438553 -0.0141222687 0.0102932459 -0.0602240940 0.0890711393 0.0867039801 -0.0000485275 -0.0552268122 -0.0013080202 0.0162823773 -0.0542511641 -0.0066762072 -0.0010908667 -0.0601254323 0.0087329643 0.0412894039 -0.0725446123 0.0115360985 0.0047364762 -0.0342975164 -0.0211421802 0.0193974493 -0.0279488104 -0.0254738376 0.0039403128 -0.0325239168 -0.0282155480 0.0274357529 -0.0311725113 -0.0224344991 0.0164817705 -0.0183504319 -0.0485548379 0.0417868969 -0.0280267778 -0.0368714827 -0.0249772661 -0.0512649684 0.0346169508 0.0197430716 -0.0812280572 0.0626395055 0.0626355743 -0.0987554780 0.0137799537 -0.0354268178 0.0224981088 0.0257841258 0.0209916061 0.0119107705 -0.0531501733 0.1171264885 -0.0198480284 0.1213577836 -0.0181679554 0.1315996735 -0.0322051339 -0.0747636707 -0.0408137632 0.0974016645 0.0430483634 -0.0239034117 0.1940046896 -0.0668539256 -0.1440084053 0.1509249836 0.1337048778 0.0071232502 -0.0293453782 0.0606503913 0.0923687878 -0.0036857352 0.0930124721 0.0369142416 -0.1144867841 0.0621235702 -0.0518625611 -0.0689380387 -0.0177704453 -0.0027938132 -0.0036250356 -0.0080286692 -0.0094767275 -0.0192455342 -0.0214277653 0.0642824511 -0.0003428000 0.0048898426 -0.0488392414 0.0812038552 0.0331228593 -0.1200848838 0.1623458017 -0.0649217762 -0.0641483257 0.1492023768 0.1643522346 0.0131202435 -0.0341427786 0.0190764816 0.0282033729 -0.1067040093 0.1018930317 0.0494174598 -0.0736234177 -0.0770934778 0.0092539169 -0.0137526617 0.0039950343 -0.0091948557 -0.0069227048 -0.0029200716 0.0046548946 -0.0165127923 0.0055315164 0.0399490594 0.0050841327 -0.0134023110 0.0907198015 0.0424591532 -0.0420049506 0.0444716580 -0.0500492536 -0.0357366627 0.0118404143 0.0390091946 0.0210931846 -0.0434403964 -0.1073098657 -0.0206285070 -0.0403786626 -0.0488390400 -0.0376794811 -0.0106408129 -0.0208992099 -0.0248803162 -0.0898951928 -0.0768991499 0.0186298264 0.1217231753 -0.0337719939 0.0555319971 0.1379765478 -0.1363787498 0.1456263176 0.2487727234 -0.0153872654 -0.0452256079 0.1053892382 -0.0595432080 0.0934493452 -0.0122143536 0.0937669662 0.0262802414 -0.1163060605 0.0717602938 0.1009236237 0.0230057325 0.1045592057 0.0007161731 -0.0377137821 0.2065203802 0.0009924150 -0.1280374971 0.3149199626 -0.0939902384 0.0018048329 0.2955534899 0.1691724284 0.0322002169 0.0038390277 -0.0263070840 0.0974236328 -0.0784669709 -0.1655621203 -0.0017079623 -0.1161259486 0.1026201572 0.0854289865 -0.1490464909 -0.0412965543 0.1409950575 -0.2731575964 0.1800022407 0.0506126499 -0.0749759732 -0.0766270947 0.1706191038 -0.3016122558 -0.2626375151 -0.0581834610 0.1407131854 -0.0252887633 -0.1049492806 0.3003371588 -0.2704492702 -0.1550649752 0.2847355665 0.1951559391 -0.0102130996 0.0237648058 0.0046818779 0.0778237167 0.0069896913 -0.0312529464 -0.0142691501 0.0159116976 0.0091517925 0.0007900550 -0.0117719034 0.0636130102 0.0107059449 -0.0034701379 -0.0253097982 0.0514710277 -0.0597031686 -0.0294561534 0.0291229156 0.0289726454 -0.0570413835 0.0003805160 0.0341773804 -0.0271670502 -0.0258342224 0.0557563690 -0.0552332669 -0.0026274725 0.0563080771 0.0134035359 0.0349260876 0.0033694335 -0.0189521810 0.0508157809 -0.0136902320 0.0046243325 0.0590297830 -0.0008704758 -0.0532316750 0.0297466419 -0.0009010349 0.0116807116 0.0425438572 0.0150962495 0.0278140595 0.0151722460 -0.0132341750 0.0207774855 0.0276631087 -0.0046891526 0.0122082662 0.0781837590 0.0298498644 -0.0130488095 0.0031304774 -0.0544090863 -0.0211639289 0.0028440680 0.0112800530 0.0705813771 0.1227998292 0.0522234627 0.0755721417 -0.0541223348 -0.0269474899 0.0298350652 -0.0894789439 0.0001083185 0.0326031764 -0.0742885916 -0.0655002504 0.0504790105 0.0182571018 0.0252455179 0.0172544954 -0.0002160036 0.1288050402 0.0861810574 -0.0361912129 -0.0218084377 -0.0157380456 0.1418454731 0.0057074495 0.0073241444 -0.0402419015 -0.0158317043 -0.0146517647 -0.0143809411 0.0108864628 0.0110818569 -0.1171496340 -0.0053095794 -0.0007296480 -0.0256081781 -0.0892575674 -0.0702734874 0.0286078799 -0.1539135208 -0.0164165821 -0.0505906384 -0.1395080305 -0.1592493877 -0.0405858518 0.0105215238 -0.0506717398 -0.0503625703 0.0692128961 0.0073944926 -0.0519685634 0.0372103854 -0.1147660049 -0.0431535722 0.0486265338 0.0087136776 -0.0555924110 0.1185489559 -0.1010828830 -0.0073160982 -0.0218223946 0.0537359405 -0.1341983806 0.1119677797 0.1094295274 0.0381655846 -0.0473657520 -0.0174590018 0.0571248996 -0.1150866564 0.0855336947 0.1005453934 -0.0977750057 -0.0986358958 0.0106550436 0.0095733462 -0.0482937014 -0.0311505424 -0.0310893107 -0.1077627862 -0.0046886542 0.0967344191 -0.0580525572 -0.0163379953 -0.0119815403 0.0645673567 0.0076194613 -0.0017910674 0.0435390782 0.1031268980 0.0396250488 0.1218612657 -0.0368647512 -0.0470183047 0.0834992160 0.0283869890 0.0696384995 -0.0961782210 0.0520038984 0.1136110657 -0.1332204950 0.0491815981 0.1086208584 -0.0561113241 0.0476996626 0.0311173149 -0.1077180038 0.0851597390 0.0208380507 -0.0831336351 0.0881067662 0.0377234129 -0.1444442664 0.0174010242 0.0095408105 0.0231700579 0.0940004166 0.0883580159 0.1109199108 -0.0546833022 -0.0547461748 0.0725106718 -0.0366981892 -0.0394554924 0.0370183756 0.2529875258 0.1658359551 -0.1173474985 -0.2217564986 -0.3341631647 -0.1798205611 -0.1752492486 0.0208321089 0.4196836814 -0.0205292988 0.0467645692 0.0654818582 -0.0782535205 -0.0671692088 0.0672407880 -0.0573101534 -0.0373995285 0.0780865276 0.0589771988 -0.0024627251 0.0161028290 0.0352316759 -0.0027964708 0.0414028021 0.0362037597 -0.0153588138 0.1298886505 0.0819233731 0.0095828097 0.0153015017 0.0795757404 0.0073513225 0.0157968818 -0.0581734546 -0.0155506459 -0.0011963944 -0.0783231837 -0.0160148217 0.0183328823 -0.0904524984 -0.0234256702 0.0205131472 -0.0572700732 -0.0186567631 -0.0390403868 -0.0623176781 -0.0269735239 -0.0307556020 -0.0623456794 -0.0198887437 -0.0312398283 -0.0008167342 -0.0152639939 -0.0221504300 0.0411024430 -0.0086594757 -0.0594084144 -0.0135171076 -0.0509263193 0.0068466673 0.0762872125 -0.0216416494 -0.0077186519 0.0700989940 -0.0829369191 0.0748300601 0.0244851982 0.0727196488 -0.0832607312 0.2084003175 -0.0519880528 -0.0702914685 -0.0033508027 -0.0030263890 0.0362402503 -0.0161941540 0.0298094199 -0.0170302498 -0.0515619196 0.0125850107 0.0655276553 0.0110075926 -0.0448457554 0.0499878758 0.0350204432 -0.0002618999 0.1174042080 0.0530078723 -0.1428820967 0.0459582614 0.0179422125 0.0013775223 -0.0624226475 0.0075173476 0.0437714205 0.1148094892 -0.0235921395 0.2484793138 0.2020386841 -0.0701666765 -0.0981368181 0.2528949998 0.0414491926 0.0213999569 0.0026126433 0.1120116227 0.0423402494 -0.0007675791 0.0528342461 0.0184448218 -0.0186922183 -0.0240671890 0.0064787946 -0.0526017767 -0.0240453123 0.0049073114 -0.0505340148 -0.0476560957 -0.0030032977 -0.0365034863 -0.0491427253 0.0102633597 -0.0141979991 0.0011068131 0.0467083916 0.0349262704 -0.0911883651 -0.0241994465 0.0109554273 -0.1125705367 -0.0369082869 0.0036029277 0.1541274606 0.1543276896 -0.1416646837 -0.3045150817 -0.3120784832 -0.2079321880 -0.2386707733 0.0051086233 0.3775103895 0.0103065365 -0.0246590695 -0.0601601939 0.1004332271 0.0370414697 -0.0191677373 0.1204748901 -0.0382745629 -0.0377727754 -0.0664455649 -0.0352152683 -0.0393459130 -0.0227152642 0.0033234528 -0.0317141695 -0.0299968295 0.0513614529 -0.0954688641 -0.0866522878 -0.0289678299 -0.0260011766 -0.0227632010 -0.0189797165 -0.0030770741 0.0472452352 0.0119536395 0.0009796433 0.0593978951 0.0107779689 -0.0136200506 0.0721600377 0.0164289722 -0.0139294173 0.0444540327 0.0235363927 0.0217419605 0.0434706450 0.0483334842 -0.0031179952 0.0649752371 0.0397328965 0.0284417140 -0.0166907295 0.0021652659 0.0032073218 -0.0365215311 0.0159077497 0.0421953500 0.0034112906 0.0438693022 -0.0213437844 -0.0194962718 0.0028919562 0.0014537310 -0.0320679323 0.0001207252 -0.0062129727 -0.0162299425 0.0062363892 0.0185363070 -0.0273968553 0.0037019017 0.0039053505 -0.0013549527 -0.0017710326 -0.0084101248 0.0057266916 -0.0013089770 -0.0027237143 -0.0034130807 -0.0018951474 -0.0087857874 0.0004899285 -0.0004199814 -0.0038920425 0.0012559994 -0.0034689741 -0.0085586649 -0.0116850387 0.0087092293 0.0011204919 0.0020835268 -0.0044141887 0.0087654239 -0.0004698554 -0.0061821545 -0.0005801787 0.0054327383 -0.0080524323 0.0013548485 0.0010539656 -0.0053603045 -0.0009369514 -0.0019871228 0.0020767217 -0.0020193160 -0.0066774770 0.0041407153 -0.0051314258 -0.0000106531 0.0064066972 0.0032294051 0.0021830267 0.0009755026 0.0002771808 0.0034463932 0.0004614191 0.0012943729 0.0054865610 0.0018375352 -0.0023170954 0.0028351261 -0.0000296470 0.0023270898 0.0018225466 0.0007794389 0.0022074518 0.0032819395 -0.0003395620 0.0028757045 0.0054963660 0.0010424525 0.0007172016 -0.0059091655 -0.0064256137 0.0060316104 0.0141372137 0.0118626711 0.0095149045 0.0108766344 -0.0008867008 -0.0150188079 -0.0072239943 -0.0091183395 0.0067846489 -0.0085408147 -0.0094107012 0.0029694951 0.0046632926 0.0043391734 0.0086766405 0.0193601857 0.0045544816 0.0087144589 0.0004647664 0.0162281473 -0.0044866560 -0.0950058875 0.5715834907 0.0478482561 -0.4162536553 -0.2889596793 -0.1509785421 0.4792927967 -0.1626574705 0.0907146294 0.0329850726 -0.0613573756 -0.0059380703 0.0070232116 -0.1109106890 -0.0765243480 0.0860084712 -0.1153614826 0.0434833534 0.0114322942 0.0516321518 0.0099513913 -0.0852738525 0.1290109967 -0.0469025117 0.0947596935 0.1355498738 0.0910672202 -0.0094218978 0.0104400921 -0.0065280060 -0.0248061107 -0.0077411900 -0.0115624574 -0.0220982129 -0.0040879326 -0.0060351165 0.1310213822 0.0299982600 -0.0073746789 0.1665764384 0.0353845567 0.0163215840 0.0790669385 0.0706214985 -0.1562607961 0.2648416916 0.0659664295 0.0198198074 0.0141355700 -0.0526312092 0.0845958211 -0.0320537530 -0.1115633184 0.1194150847 0.0286160609 -0.0995641766 0.0152854605 -0.0140010797 -0.0056256581 0.0761428356 -0.0535058473 0.0419272906 0.1564895928 0.0717081887 -0.1037366283 0.0458930116 -0.0638388214 0.0406761349 -0.0902659373 -0.0452679140 0.0247168823 0.0494842934 -0.0338079868 0.1590298304 0.1271422078 -0.1469914409 -0.0743549435 0.1354039027 0.0385561920 -0.0747906214 -0.0389816471 0.1458298167 -0.1473329962 0.0596464621 0.0279568951 -0.1580271564 -0.1652260072 0.0267640657 0.0170371531 -0.0040791218 0.0200326626 0.0883600481 -0.0822193171 0.0196555646 0.0670570165 0.0714654659 0.0358115736 -0.0000373730 0.0262528956 0.0256158042 0.0185647838 0.0304513259 0.0324878740 -0.0090658742 0.0361296015 0.0682405802 0.0213934137 0.0170869509 -0.0422005134 -0.0617414477 0.0822556544 0.1557063912 0.1411756875 0.1110761839 0.1197773068 0.0107973520 -0.1483477956 -0.0317448048 0.0899463405 -0.0869798631 -0.0489388141 -0.0148398543 -0.0301434668 -0.0492684671 -0.0977792817 -0.0555434624 -0.1078225892 0.0244489406 -0.0705606198 -0.0103996064 -0.0145359947 0.0876285370 -0.0391040494 0.1444751634 0.2156088523 -0.0844477679 -0.0853232210 0.0289732196 0.1938711515 -0.0429502247 0.0660717949 -0.1127290563 -0.0826810461 0.0216158475 -0.1408715381 -0.0994271150 0.0146157645 -0.1501030212 -0.1203168244 0.0827122140 -0.1033694927 -0.0713436636 -0.0309241227 -0.1135570623 -0.0771083561 -0.0196764462 -0.1090634633 -0.0718767973 -0.0207729380 0.0227606838 -0.0242935328 0.0100073182 0.1638088366 0.0792954237 -0.0234786997 -0.0121474988 -0.0930004947 0.0495656021 -0.1008522845 -0.0133049373 0.0087542126 -0.1351434800 -0.0562310993 0.0383146818 -0.0918424871 0.0217109937 0.0935363578 -0.1258513130 -0.0617405647 -0.0524640071 -0.0385973846 0.0533891670 -0.0445319965 -0.0097474507 0.1085922998 -0.0890074852 -0.0730301822 0.0907163501 0.0145324862 -0.0048353143 0.0092239474 -0.0110491117 0.0317715535 0.0266558005 0.0107594146 -0.0652482553 -0.0062353806 0.0280104852 0.0780511059 0.0146841051 -0.0151359240 0.0636814698 0.0233939043 -0.0887577844 -0.0278566437 -0.1309372049 -0.2219075161 0.1858421950 0.1501181126 -0.2008061230 -0.0312559827 0.0408520002 0.0824132766 -0.1251645320 0.0901934524 0.0094297569 -0.0498021552 0.0836629806 0.1719567011 -0.0527424589 -0.0423120327 0.0347262453 -0.0554424297 -0.1179944394 0.1137003922 -0.0861333467 -0.1158361296 -0.0270743853 -0.0688128810 0.0001677280 -0.0480118777 -0.0710616670 -0.0414645961 -0.0722169175 -0.0549344919 0.0245361027 -0.0722986741 -0.1130207856 -0.0233540901 -0.0347785635 0.0207409213 0.0782096540 -0.1150960334 -0.2319855137 -0.1707128374 -0.1554500357 -0.1746853661 -0.0175690094 0.1772966689 0.0435593325 -0.0737630784 -0.0169998017 0.1499057544 0.1094640636 -0.0358618754 0.0318280348 0.0637906541 -0.0637315626 0.0592519246 0.0457684886 0.0183542781 -0.0499461279 -0.0258305609 0.0851440164 -0.0682598709 0.0787705254 0.1445516950 -0.1097481785 -0.0677909362 0.0665279981 0.0693307242 -0.0365813864 0.0642120249 -0.0947726991 -0.0864961275 0.0413808228 -0.1220682867 -0.1077439613 0.0247437092 -0.1155961853 -0.1248303320 0.0969751471 -0.0803659834 -0.0764997719 -0.0092290642 -0.0546333719 -0.0713040567 -0.0163749300 -0.0916590563 -0.0803594406 -0.0026590527 0.0257967145 -0.0491877771 0.0248587969 0.2317905279 0.1041699953 0.0025292502 0.0736032269 -0.0349915733 0.0929085106 -0.1048278407 -0.0224819969 0.0241463003 -0.3734026743 -0.3351336124 0.2200678115 -0.2527427851 0.4527422213 0.0844045149 0.2697405813 -0.1554677962 -0.2160981310 -0.0337020506 0.0037256173 -0.0231192604 0.0086784557 0.0652950156 -0.0639119647 -0.0922628013 0.0363061924 0.0326468515 -0.0076333422 -0.0114675352 0.0243649265 0.0025724105 0.0182774405 0.0715757654 -0.0681863851 -0.0412722392 0.0645264223 0.0242116602 0.0081772468 -0.0292405610 -0.0248375375 0.0002723782 0.0626819103 -0.0088914368 0.1517341203 0.1502011028 -0.0969209159 -0.1124636322 0.1710416558 0.0175119947 -0.0021823484 -0.0385458054 0.0622105522 0.0067370720 -0.0359031039 0.0264664052 -0.0013653056 -0.0459404391 0.0250864818 0.0016253751 -0.0332440512 0.0648334033 0.0137648927 -0.0326189559 0.0363941105 0.0031113146 -0.0440587472 -0.0010659851 0.0118013137 0.0390512814 0.0053741988 0.0794029576 0.0800597448 -0.0422600185 -0.0377091316 0.0825254577 0.0156673346 -0.0006243312 0.0033346125 -0.0937077293 -0.0512743297 0.0269886036 0.0869264809 0.0731124837 0.0686464331 0.0685392176 -0.0350499966 -0.1203064700 0.0238986471 -0.0298728823 -0.0341128709 -0.0219661432 -0.0382067139 -0.0228972772 0.0327799377 -0.0598714345 -0.0225126918 0.0934734315 0.0727639423 0.0169591103 0.0000505612 0.0040736894 0.0000310021 0.0049616223 -0.0256525719 0.0070262358 0.0264696955 0.0212795254 0.0052044870 -0.0201218163 0.0143440855 -0.0073808723 -0.0120477074 0.0087060930 -0.0043989135 -0.0130884649 0.0159510709 0.0137597502 -0.0281253659 0.0179308340 -0.0102007490 -0.0064916074 -0.0120057136 -0.0086551197 0.0047506858 -0.0234200838 0.0008267057 -0.0219481718 -0.0249463098 -0.0159735651 0.0097959729 -0.0016893019 -0.0021830316 -0.0006383889 -0.0080327472 -0.0050844647 -0.0099127386 -0.0209590760 -0.0083794039 0.0220400797 0.0034591420 -0.0069341660 0.1013179930 0.0955217258 -0.0639859747 0.0696391800 -0.1409381113 -0.0145137168 -0.0988588400 0.0382171876 0.0595800459 0.0074945387 0.0049878699 0.0008515345 -0.0002625752 -0.0032573620 0.0044326702 0.0170630395 0.0013159553 -0.0059418024 0.0059931196 -0.0020878640 -0.0084611426 0.0118962316 -0.0085419706 -0.0200402340 0.0169372975 0.0024935548 -0.0153859760 0.0079174134 -0.0037707358 0.0118766055 0.0187311395 0.0169324710 0.0113943762 0.0297546085 0.0677816101 0.0443039134 -0.0130859205 -0.0173009433 0.0417577035 0.0129227531 0.0431353285 -0.0476767204 0.0014806679 0.1389916521 -0.1454980877 0.0097729173 0.1098017676 0.0688162125 0.0536588483 -0.0686474740 -0.0666268736 0.2360192516 -0.1508707498 0.0819709958 0.0600856547 -0.1919547677 -0.2438819879 -0.0812439388 0.0510733432 0.0963343499 -0.0737428706 0.2535398477 0.2126552636 -0.2206855562 -0.1051912389 0.2289646123 -0.0652321243 -0.0269829259 -0.0383364490 -0.4120571935 -0.1459379577 -0.0173360589 0.1077615662 0.1463336335 0.1169031767 0.1067836039 -0.1853581582 -0.3499330525 -0.0024504930 -0.0038371763 0.0139155324 0.0407111546 0.0266625252 0.0126784739 0.0190480309 0.0197264957 0.0081455630 -0.0211296739 -0.0265165636 -0.0012964432 -0.0073206066 -0.0033630733 0.0024440542 -0.0076937263 0.0000513221 -0.0091068809 -0.0148373640 -0.0059122948 0.0054045353 -0.0113557780 -0.0048695805 0.0053774309 0.0035036879 -0.0036768497 0.0062129748 0.0050475763 -0.0047406473 0.0013427177 0.0068182465 -0.0054080891 0.0070494349 0.0033554985 0.0002947166 0.0029627040 0.0065262195 0.0069731286 -0.0046729823 0.0102224962 0.0052097977 0.0040635604 -0.0057187949 -0.0055893855 -0.0000359236 0.0123572825 0.0103910031 0.0045035472 0.0143338040 0.0150435248 0.0054022782 -0.0548250596 -0.0162242300 -0.0119990354 0.1797525402 0.2462081202 -0.1723482708 0.1301060782 -0.4914702150 0.0739822728 -0.5248659906 0.0409792393 0.1417998298 -0.0478167047 0.0844859618 -0.0396311924 -0.0542422721 0.1231996853 -0.0944149054 -0.0881351200 0.1173770271 0.0144307254 0.0017237834 0.0265483954 0.0429101610 0.0962371424 0.0707814131 0.1047519475 -0.0529074542 -0.0664946258 0.0935027997 0.0127640318 -0.0090454293 -0.0431676555 -0.0349361223 0.0066172300 0.0714764731 -0.0388816572 0.1851975310 0.1609916993 -0.1085875377 -0.1241125219 0.1992884595 0.0157371287 -0.0186889180 -0.0164119923 0.0755860520 -0.0425176364 0.0222542302 0.0219328616 -0.0467517566 -0.0697497504 0.0025069782 0.0215545314 -0.0095497366 -0.0205628538 0.0622797892 -0.0604529627 0.0066803116 0.0632235242 0.0431844415 0.0197830100 -0.0057741225 0.0057059231 0.0235573828 -0.0041766694 0.0085872701 0.0234506311 -0.0044628144 0.0059180959 0.0302690600 0.0074105179 0.0147159059 0.0427812309 0.0012287972 0.0275075724 0.0391797419 0.0163507664 0.0229587360 0.0228119058 0.0267549679 0.0039709768 0.0583810272 -0.0769834453 -0.0461335782 -0.0180328074 -0.0352088615 -0.0457187894 0.0314601021 -0.0742112219 -0.0508088656 0.0263314733 0.0452178442 0.0305307440 -0.0058761720 -0.0052883457 0.0100102597 -0.0036189131 -0.0193721084 0.0099621941 0.0048511440 0.0010805967 0.0109735545 -0.0167967938 -0.0029270545 0.0102315850 -0.0076087752 -0.0022894236 0.0079843550 -0.0012347148 0.0016903484 0.0070065003 -0.0148458428 -0.0004465235 0.0080748054 -0.0055249309 -0.0076833441 -0.0003656003 -0.0019059641 -0.0085883113 -0.0001080818 -0.0059861175 -0.0090021658 -0.0021864290 -0.0010778728 -0.0063862043 -0.0029705554 0.0015837124 0.0001863280 -0.0038684337 -0.0290829425 -0.0372358508 -0.0077325054 0.0064778989 0.0039547398 0.0004806661 -0.0220468433 -0.0185992302 0.0062841801 -0.0113180897 0.0521270972 -0.0051040910 0.0513454469 0.0007463128 -0.0112747975 0.0113257811 -0.0069682076 0.0002597531 0.0097314644 -0.0180308511 0.0127067607 0.0316721151 -0.0121928327 -0.0099630377 -0.0016275551 0.0053633849 -0.0232513373 -0.0192112762 -0.0239310205 -0.0682232660 0.0050740424 0.0591050555 -0.0374351768 -0.0042735315 -0.0088378997 0.0222013501 -0.0324977670 -0.0008281059 0.0089958287 -0.0229369408 0.0456681173 0.0378668726 -0.0596135690 -0.0334307476 0.0387600032 -0.0237718907 0.0071740377 -0.0222631570 -0.0219626448 0.0077339958 -0.0221918343 -0.0146591600 0.0129931276 -0.0210323432 -0.0123973936 0.0144657014 -0.0110095092 -0.0348699555 0.0323720314 -0.0374875355 0.0109162297 0.0505556890 0.0126046810 0.0053120283 -0.0183586258 0.0052808664 0.0058928263 -0.0153145034 0.0070785426 0.0088922318 -0.0166045510 0.0048793314 0.0295645875 0.0058654156 0.0119330281 0.0465486547 -0.0019999237 0.0286372349 0.0546468863 0.0170484536 0.0286500751 0.0183265769 0.0396999264 -0.0137263775 0.0084735309 -0.0116217223 0.0247723375 -0.0204395720 -0.0005505423 0.0027424028 0.0155569147 0.0350996815 0.0191230447 -0.0073144872 -0.0230485522 0.0131942648 -0.2010873986 -0.0532847555 0.1036780430 -0.1984125116 -0.0442557317 -0.2716553751 -0.3709974917 -0.0839351637 0.2268524466 -0.4318620819 -0.0766365848 0.1995409254 0.1060019512 -0.0167232710 0.1968365141 0.1089374272 -0.0185450932 0.1798178397 0.0839565041 0.0059293298 0.1735970418 0.1186865455 0.0005106482 -0.0167718013 0.2431828579 -0.0498259597 -0.0020650509 0.1973583014 -0.0155182981 -0.1832869346 -0.0085544025 0.0481302498 -0.1218531702 0.0398176258 0.0514335071 -0.1670433493 -0.0096505566 0.0428722165 -0.1168731716 -0.0412594471 -0.0203724064 0.0048442469 0.0118456749 0.0214992268 -0.0074319642 0.0041617953 -0.1243929397 0.0456694558 -0.1572079409 -0.0337679271 0.0062522748 -0.0470216671 0.0312823735 -0.0021791526 -0.0210338264 0.1154503712 -0.0858963586 -0.1825511928 0.0662996443 0.0672638133 0.0326139849 -0.0619956690 0.1295921442 0.1534096158 0.0895527363 0.3609635787 -0.0060071763 -0.3566205054 0.2063732986 -0.0132105812 0.0193095857 -0.0427905006 0.0987197136 -0.0954351256 -0.0204371715 0.1625758944 -0.3299942938 -0.1036408125 0.2119943971 0.0534566330 -0.1585165013 0.0594363234 -0.0165623457 0.0441996986 -0.0007584093 -0.0056756770 0.0189691158 0.0739019205 0.0152884643 0.0785974086 0.0460338874 -0.0220693225 0.0244252465 0.1104864397 -0.0672557314 0.0938780328 -0.0031807845 -0.1122686472 -0.0449849747 0.0130296307 0.0551147719 -0.0161075992 0.0163597421 0.0282188796 -0.0282272245 0.0180975797 0.0637070179 -0.0254090312 -0.0601225906 -0.0144045226 -0.0245111369 -0.1011159490 0.0065848794 -0.0672974593 -0.1371802626 -0.0438623823 -0.0736534929 -0.0313500655 -0.1079554424 0.0545340338 -0.0970227404 0.1722663922 -0.0453692755 -0.0377660222 -0.1230336948 0.0517085982 -0.0265815801 -0.1551231982 0.0405230656 0.0445319130 0.0631712303 -0.0499513320 -0.0213986151 -0.0041201063 0.0016865161 -0.0180225617 -0.0186361068 -0.0761372099 -0.0428483929 -0.0053967024 0.0225871139 -0.0810883377 -0.0092800832 0.0254310888 0.0389445112 0.0150181561 0.0281680718 0.0522584533 0.0258354445 0.0336365463 0.0284620016 0.0306683517 0.0111291699 0.0363693483 0.0079278531 -0.0071915622 0.0489676637 0.0329151956 -0.0414247394 0.0545062679 0.0194952887 -0.0059929546 -0.0248319122 -0.0323749059 -0.0438413147 -0.0097530640 0.0171768889 -0.0168468585 -0.0972734809 -0.0917181720 -0.0859237072 -0.0391331641 -0.0254110133 -0.0011894172 -0.0710813669 -0.0295048121 -0.0205176522 -0.0036351388 -0.0482530458 0.1110064742 -0.1331431481 -0.0493977429 -0.0181214879 0.0332247115 0.0043254012 -0.0501120729 0.0746062018 0.0576281365 -0.0813182324 -0.0552466717 0.0205339484 -0.0134845104 0.0950442569 -0.1002312331 0.0551269690 0.2420634485 0.0304792059 0.2468055695 0.0678772384 -0.3715837827 0.1237928227 0.0372951549 0.0096031583 0.0221834504 -0.0430961144 -0.0147856021 -0.0170501450 -0.0493917873 0.0242890785 0.0005129902 -0.0810258812 -0.0230235645 -0.0163051230 -0.0908165652 0.0631395529 -0.0826598685 -0.1547123342 0.1252160428 -0.1598422783 -0.0058825080 0.1646612007 0.0007131804 -0.1027398243 0.0407940026 -0.0834776550 -0.2291796138 0.1022045744 -0.1906549297 -0.0056969194 0.2037380888 0.0344921326 -0.0545849306 -0.1252985886 0.0318137960 -0.0400007171 -0.0349329737 0.0890673677 -0.0934013976 -0.1696376406 0.0715426071 0.0949044431 0.0129725646 0.0505950267 0.2061045772 -0.0153466992 0.1295117528 0.2607934302 0.0535399938 0.1449321889 0.0216617050 0.2228136424 -0.0966327101 -0.0552620420 0.0817992686 0.0302618602 0.0882337839 0.0760732551 0.0387208680 0.0377691945 0.0699857853 0.0324334277 0.0120615352 -0.0554192602 -0.0474485204 0.0097342997 0.0026158211 -0.0109334829 0.0102662508 0.0007996951 -0.0018095142 0.0160252569 0.0044470028 -0.0145619232 0.0156302923 0.0044204994 -0.0154830305 0.0018596238 0.0011016243 -0.0095423016 0.0043602300 0.0017621478 -0.0099591358 0.0076528526 -0.0004186713 -0.0097699521 0.0000814872 -0.0020424957 0.0051701967 0.0027592019 0.0258628574 -0.0237404665 -0.0014887518 0.0074950588 0.0294684608 -0.0154545679 -0.0283565027 0.0077811102 0.0263019698 0.0113033350 0.0269608189 0.0512331519 0.0421944798 0.0216214921 0.0440421820 0.0287309447 0.0073441817 0.1480606752 0.0740909021 0.0380802401 0.0077326538 -0.0013682154 -0.1771424419 0.1416212979 0.0631162218 0.0381558609 -0.0805393280 0.0045675517 0.0830141594 -0.0940116268 0.0279044802 0.0411396732 -0.0717216947 0.0232153783 0.1058345534 -0.1095529651 0.0522023056 -0.0370251180 -0.2786415550 -0.0606204093 -0.2007134167 -0.0887499555 0.3112558975 -0.1018213770 0.0254049671 -0.0029615237 -0.0180449240 0.0379342243 -0.0825267657 0.0089697893 0.0735494763 -0.1331777744 0.0047216257 0.0755083855 -0.0490897665 -0.0186738106 -0.0085368990 0.0291344202 -0.0269912407 -0.0805738223 0.0843367000 -0.0991719976 0.0764917836 0.1275233385 0.0484121050 -0.0514149851 0.0177391306 -0.0516957613 -0.1173408854 0.0500804195 -0.1083043145 -0.0233664084 0.0927680013 0.0215965629 -0.0363918028 -0.0645021775 0.0153797096 -0.0200508385 0.0001582297 0.0598912205 -0.0704618138 -0.1018894709 0.0478279100 0.0357773299 0.0006791272 0.0253026557 0.0991072379 -0.0089973827 0.0617035504 0.1181972507 0.0147396577 0.0689201128 -0.0044913072 0.1086043577 -0.0406890063 0.0049416950 -0.0087232114 -0.0170846580 0.0349460577 -0.0561915817 0.0216637090 -0.0319148242 -0.1697056156 -0.0220176230 0.0216814630 0.0694197384 0.0274343438 0.0155525692 0.0049173194 -0.0344515681 0.0211579686 -0.0216278746 -0.0874246425 0.0177403387 0.0059397782 -0.0356071978 -0.0328866860 -0.0042911110 -0.0094090991 0.0517715459 0.0338028001 0.0014025874 0.0791101620 0.0527310886 0.0079290801 0.0503186050 0.0513512202 -0.0223874832 0.0361422613 0.0210919420 0.0027043050 0.0205455408 0.1926003890 -0.1841313320 0.0637554844 0.1088802173 0.1786954342 -0.0924790588 -0.1992448002 -0.0608158212 0.0548698088 0.0641639369 0.0704096372 -0.2129808041 -0.2892237577 -0.1440956788 0.0383965723 0.0308619835 0.0134620268 0.1607736047 0.1053562043 0.0131273445 0.0224345041 -0.0566968934 -0.1708884195 0.0862997359 0.0784923861 0.0706207363 -0.0919546660 0.0137148086 0.0887728944 -0.0494909631 0.1316012250 -0.0261654377 -0.1856901739 0.0685030198 0.1772788173 -0.0813698658 -0.0263597550 -0.0184234979 -0.2062884947 -0.0931354217 -0.1102701043 -0.0504901710 0.1334667513 -0.0709829827 0.0521706842 0.0149036072 -0.0315879047 0.0925363295 -0.0855516131 0.0196021618 0.1018723982 -0.1832073569 -0.0279168902 0.1582071793 -0.0125033094 -0.0458430135 0.0332746356 0.0280615736 0.0036444366 -0.0191678852 0.0818078420 -0.0627331230 0.1256878860 0.1242177131 0.0626175777 -0.0518333533 0.0066604395 -0.0515491461 -0.1311170623 0.0329412205 -0.1045095726 -0.0337146154 0.0763985159 0.0278700856 -0.0530329239 -0.0686966969 0.0126565935 -0.0363974894 0.0156346435 0.0689482780 -0.1051594112 -0.1205261726 0.0554118373 0.0189839578 -0.0014340769 0.0203404847 0.0894604394 -0.0076776569 0.0553045509 0.1072415405 0.0092021565 0.0647382395 -0.0259892199 0.1137168564 -0.0449165547 -0.0121939525 0.0061727007 -0.0492423049 0.0722939478 -0.0521162296 0.0185795995 0.2016774306 -0.0383024847 0.0388483026 0.0475143375 0.0349512715 -0.0158110763 -0.0142594863 -0.0058597913 0.0304520739 -0.0194372315 0.0174767375 0.0869236737 -0.0124944620 -0.0050558336 0.0310060902 0.0339814528 0.0038506695 0.0048099877 -0.0503548322 -0.0329544129 -0.0055190870 -0.0773219604 -0.0535979933 -0.0172600376 -0.0434998348 -0.0526784510 0.0189143974 -0.0322994653 -0.0182478499 -0.0031000108 -0.0038440667 -0.1971123498 0.1903735143 -0.0621862766 -0.1147218402 -0.1973684276 0.0891514609 0.2026544432 0.0620421274 -0.0662120772 -0.0675316190 -0.0689357902 0.2065128742 0.2945463352 0.1409424587 -0.0270403693 -0.0274249511 -0.0167633675 -0.1444462114 -0.1122837407 -0.0015010023 -0.0154673977 0.0629988553 0.1525647381 -0.0632991989 -0.0829034646 -0.0869220720 0.0730504366 0.0005902620 -0.0724895305 -0.0415082857 -0.2186386922 0.1094773620 0.2714400950 -0.0952321800 -0.2331865704 0.0274001011 0.1321550820 0.0377523324 0.1304690984 0.1782599140 0.1005602552 0.0123783783 0.0054789835 0.0760408344 -0.0710910217 -0.0010307249 -0.0209763311 0.1326465561 0.0612784044 0.0228093767 0.1654266753 -0.1756709763 -0.0831594334 0.2845391688 0.2036846500 -0.1020609531 0.1149222224 0.0279411791 0.0555073954 0.2497887638 0.0101855682 0.1042359102 0.1348230431 -0.0247373929 -0.0582449672 -0.0579923583 -0.0248633785 -0.0479596187 -0.1828023400 -0.0044656911 -0.1084879154 -0.0856040478 0.0384072916 0.0710001447 -0.0912239687 -0.0973670405 0.0129877260 -0.0748498394 0.0517589684 0.1047990523 -0.1939145463 -0.1939203422 0.0902266721 0.0060738780 -0.0021165509 0.0181152922 0.0964533278 -0.0144612180 0.0682306107 0.1249358308 0.0176834542 0.0806531915 -0.0528336117 0.1525485163 -0.0751893339 0.0348136215 -0.0442432681 -0.0216655710 -0.0521502771 -0.0450034004 0.0134039518 -0.0572975243 -0.0731654864 0.0020073708 -0.0993324097 0.0310828178 0.0206556519 -0.0004093178 0.0007223480 -0.0000503477 -0.0008626258 0.0027822974 -0.0043423921 -0.0040364799 -0.0005057785 0.0017189359 -0.0023443772 -0.0000399251 0.0017506764 0.0033539154 0.0017952042 0.0014136790 -0.0013904947 -0.0004212494 0.0030779391 0.0051244204 0.0023546633 0.0001001984 0.0013509837 0.0065319810 -0.0010066358 0.0001158224 -0.0108461368 0.0158456664 0.0042744291 0.0025211948 -0.0145220576 0.0018513245 0.0110540442 -0.0031900218 -0.0137525909 -0.0004244245 -0.0114297924 -0.0401343244 -0.0327957731 -0.0119339797 -0.0152297148 -0.0220305208 -0.0152702134 -0.0909012805 -0.0912726810 0.0181047496 -0.0104930316 0.0466128599 0.0988663495 -0.0334919960 -0.0788829279 -0.0903887783 0.0403552641 0.0125486335 -0.0452064497 -0.1003633193 -0.2304621453 0.1448486461 0.2691171814 -0.0928792689 -0.2240284123 -0.0061927643 0.1557381879 0.0424100932 0.0722193893 0.1916393557 0.0884485609 -0.0117482654 0.0563474986 0.0695827732 0.0223899734 0.0285631498 -0.0206041069 -0.0412188615 -0.2318720814 0.0260583210 -0.0073905153 -0.1803570768 0.0729050218 -0.1333632979 -0.2321368408 0.0072076560 -0.0777050852 -0.0238372133 -0.0548668934 -0.3483584610 0.0850052435 -0.2270453674 0.0415868384 0.1987813513 0.1925742857 0.0266089969 0.0352943720 -0.0044265588 0.1131880596 0.0473962110 0.0086976387 0.0544134393 0.0189668345 -0.0554550612 0.0626976938 0.0594784124 -0.0045614942 0.0683463917 -0.0289369800 -0.0502420157 0.1276960753 0.1166783254 -0.0487633475 0.0061167466 -0.0025285462 -0.0016858661 -0.0405166445 0.0076603842 -0.0324675208 -0.0601113590 -0.0182371298 -0.0394038631 0.0382321551 -0.0905337320 0.0572271175 0.0061984805 -0.0290782588 -0.0214587268 0.1227710821 -0.0124683445 0.0714218035 0.1664595434 -0.1377853940 0.0408353408 -0.1268340822 0.0416658355 0.0126981948 0.0046003429 0.0010406432 -0.0056357875 0.0032683833 0.0092563822 0.0062138232 0.0037555766 0.0006413942 -0.0056346994 0.0186742764 0.0040503295 -0.0139171984 -0.0002498768 -0.0058985749 -0.0049211640 -0.0108520307 -0.0177207036 -0.0155140822 0.0230415465 -0.0160307574 0.0001333303 -0.0035019424 0.0001267535 0.0130475629 0.0308380710 -0.0438335066 0.0547900024 -0.0138564340 -0.0307917322 -0.0509557795 -0.0088477510 0.0318509261 0.0251282365 0.0058618435 -0.0069240011 -0.0114169585 0.0733772595 0.1072930761 0.0649085668 0.0031961175 -0.0003633772 0.0051428345 0.0079377632 0.0114927330 -0.0058730799 -0.0063083321 0.0067680866 -0.0215566665 0.0256788973 0.0057020782 0.0099372999 -0.0054131412 -0.0011095335 0.0075413877 0.0138496080 0.0404637925 -0.0289101241 -0.0329461402 0.0201821734 0.0421424882 0.0009016105 -0.0219272043 -0.0135796599 -0.0138302329 -0.0003551888 0.0208632006 0.0057975702 -0.0470436648 -0.0104958180 -0.0158771440 -0.0085664267 -0.0046673985 -0.0112053232 0.0197027228 0.0060854024 0.0154865887 -0.0221128362 0.0024344170 -0.0077495706 0.0492086579 -0.0241981529 0.0015904154 0.0031429598 0.0005104163 0.0242405157 -0.0066028562 0.0153727991 -0.0088763913 -0.0170036732 -0.0211124447 0.0009349844 -0.0001290963 -0.0024553297 0.0044354975 -0.0044856282 0.0030318088 -0.0073984257 -0.0075935656 -0.0051196916 0.0015437476 0.0009187535 0.0003401108 0.0037904568 0.0051959537 0.0038167917 -0.0008540540 -0.0024610875 0.0034083157 0.0020017798 -0.0008339623 0.0009233048 0.0006240920 -0.0019779970 0.0016995679 0.0005672617 0.0003469181 0.0009173570 0.0031112841 -0.0025449909 0.0009409203 0.0169331772 -0.0218437184 0.0086667653 -0.0070949958 0.0197327920 0.0333220871 -0.2783874698 -0.1806437729 -0.0610373770 0.0132257541 0.0184654494 -0.0317241752 0.0647397807 0.0207545630 -0.0853550615 0.0610084817 0.0478603014 -0.0312199739 0.0781388257 0.0268600527 -0.0887307219 0.1280377941 0.0346172942 -0.1227307793 0.0741721333 -0.0088642599 -0.0118932535 0.1105199953 -0.0292553842 -0.0973904139 0.2236999869 -0.0268005093 -0.0396526333 -0.0079456849 -0.0310550181 0.1818048586 0.1867694613 -0.3074922144 0.4321771871 -0.0568472351 -0.2346667306 -0.2695089778 -0.2383854549 0.0264484572 0.1099611125 0.0584570529 0.0356117062 -0.1458150991 -0.2575517779 -0.0817791882 0.2599675494 0.0156246067 0.0051650952 0.0211359804 0.0646464418 0.0387227468 0.0200539091 0.0016922462 -0.0192922028 -0.0684505166 0.0601839695 0.0282671224 0.0460362344 -0.0162269050 -0.0091535822 0.0200982120 0.0568515443 0.0822781065 -0.0336614550 -0.0693491858 0.0305284879 0.0843129838 -0.0137649241 -0.0477770450 -0.0596823101 -0.0162375797 0.1209787420 0.2076590551 0.0432469864 -0.3265528575 -0.0301490224 -0.0188471864 0.0760029409 0.0240079677 -0.0653532300 0.0093202695 0.0696493714 0.0693127984 -0.3878342599 -0.0593914050 0.0072160108 0.3094660243 -0.2477628910 -0.0333254077 0.0112793373 -0.0093781902 0.0664619779 -0.0520299526 0.0759645449 -0.0041356649 -0.0440058868 -0.1317202904 0.0010875281 0.0129407699 -0.0315399980 0.0620774131 -0.0442863168 0.0489445600 0.0401235560 -0.0288730105 -0.1345513602 0.0201830291 0.0185567762 0.0027564594 0.0394724928 0.0129528857 0.0104672554 0.0256936091 0.0210363533 0.0014461888 0.0143844862 -0.0052112951 0.0058401154 -0.0026797717 -0.0037879579 -0.0027257626 0.0046735585 -0.0081738726 0.0002993283 0.0260806300 -0.0288431857 0.0113649257 0.0847630541 -0.1664157720 0.0275296631 -0.0596910251 0.0465989297 0.2066392191 -0.2494013513 -0.2092236055 0.1090477829 -0.0064739555 0.0918938814 -0.2010632963 -0.0070894153 -0.0022973201 0.0108855704 -0.0062329831 -0.0039202322 -0.0355183850 -0.0275791099 -0.0077569123 0.0219985186 -0.0381367420 -0.0062256769 0.0245870645 0.0035453599 0.0030715721 0.0060685763 -0.0036472383 0.0110366012 0.0305491816 -0.0378640459 0.0117312216 0.0089353523 0.0061376368 0.0093735912 -0.0564044238 -0.0171485707 0.0975631403 -0.1441116023 0.0459950027 0.0786343776 0.0536641395 0.0221235552 -0.0095164341 -0.0109324662 -0.0014688531 -0.0056254707 0.0323964932 0.2018084766 0.1903908000 0.0014860087 0.0025947018 -0.0003314755 0.0030440718 -0.0027391838 0.0075010031 -0.0114269081 -0.0005669507 0.0039016027 -0.0038751593 0.0092161852 0.0114849164 0.0182013564 0.0026897275 -0.0051041196 -0.0002944197 0.0118136226 0.0194170170 -0.0237852495 -0.0142620231 0.0114926674 0.0255884514 -0.0005506019 -0.0069203916 -0.0082772223 -0.0062707647 0.0140022222 0.0254807455 0.0013208700 -0.0366576675 -0.0025583706 -0.0451634880 -0.0213401996 0.0072523998 0.0032875572 -0.0096964670 -0.0260510075 -0.0267519397 0.0980967196 0.0143751998 -0.0755390914 -0.0780969814 0.0333939021 0.0366759208 -0.0421636659 0.0313283251 -0.1079790076 0.1774418447 -0.2186973704 -0.0700996723 0.0926371818 0.3696069722 0.0397260351 -0.0459923979 0.0034304418 -0.1559821090 0.1624325017 -0.2817766057 -0.0952568013 0.1065952437 0.3621866470 0.0370247618 0.0061055606 -0.0441910840 -0.0494331595 0.3000266730 0.0686687169 -0.1172430225 -0.2052867177 0.1512028066 -0.0055503787 0.0141234108 -0.0175483606 -0.0038784662 -0.0955289666 0.1258947516 -0.2043953737 0.1620440091 -0.0414115220 -0.0028997531 -0.0531185312 0.1047348605 0.0118166403 -0.0043169353 0.0195987180 -0.0097320536 0.0239478996 -0.0037632112 -0.2580850331 -0.0646326721 -0.0634053409 0.0070709249 0.0187764951 -0.0198133518 0.0016799759 -0.0028038495 0.0004695197 -0.0024370495 0.0231929062 -0.0113776826 -0.0222653117 0.0169582096 0.0639373086 -0.0015382072 0.0352335723 -0.0473021246 0.0068041510 -0.0149988015 -0.0001374604 0.0540302777 0.0608486075 0.0966607397 -0.0755329335 0.0671938929 -0.0741274017 0.0011462206 -0.0089689208 -0.0094429115 -0.0718883283 0.0420797003 -0.0429045399 0.0662047323 0.0548578825 0.0475150725 0.0001764446 0.0102738748 0.0063656600 0.0005953618 -0.0006311720 -0.0010670162 0.0701399782 0.0831734705 0.0239378418 -0.0003981548 -0.0017088021 -0.0017415630 -0.0103631734 0.0005276082 -0.0138788502 -0.0015927126 0.0055177874 0.0040230602 -0.0022445975 0.0027866836 0.0046128699 0.0020663814 -0.0010422410 -0.0005765484 -0.0076317754 -0.0026832685 -0.0068658709 0.0026090963 0.0036937327 0.0064348633 0.0013311155 0.0039855670 0.0039892252 -0.0055906180 -0.0045124259 -0.0091365100 -0.0003178698 0.0209364267 0.0013547765 0.0030809789 -0.0057436055 -0.0034647659 0.0127152518 0.0000960574 -0.0030384657 0.0242900843 0.0234606822 0.0155918776 0.0045974684 -0.0158333535 0.0128854134 -0.0026485272 0.0086964983 -0.0147895438 0.0064019508 -0.0366464229 0.0316957216 0.0235039671 -0.0101099476 -0.0742503065 -0.0110922868 0.0114626399 0.0087584927 0.0477446644 -0.0344151870 0.0765094992 0.0150556624 -0.0303393041 -0.0778778040 -0.0182995069 -0.0057233888 0.0181087316 0.0099752355 -0.1282851956 -0.0333100871 0.0417881724 0.0825669363 -0.0651458185 -0.0024876344 -0.0031506507 0.0053809055 -0.0038284481 0.0424369161 -0.0544542027 0.0789803609 -0.0647731777 0.0146202867 -0.0036975868 0.0243246876 -0.0444780062 -0.0026181988 0.0035745995 -0.0051891695 0.0104725174 -0.0024878300 -0.0000675864 -0.0492075152 -0.0455323997 -0.0209074550 -0.0014720649 -0.0009668277 0.0071797630 0.0072433334 -0.0136129552 -0.0073474332 -0.0121981128 0.1001115780 0.0189264847 -0.0613082558 0.0856809884 0.2573653418 0.0425303197 0.1620868654 -0.2419034502 0.0167282609 -0.0695289061 -0.0078053969 0.2279759896 0.2492449102 0.3839880441 -0.2861220783 0.2776947654 -0.3363275723 0.0015795621 -0.0485734048 0.0203491008 -0.2621871958 0.1113609884 -0.0704667038 0.2195428528 0.1521211318 0.1816207856 -0.0207832185 0.0276082474 0.0187978412 0.0003881198 0.0066183770 -0.0296942172 0.0259071151 0.0695343052 0.0438199931 -0.0000258775 -0.0007965378 -0.0022086733 -0.0111790149 -0.0011295112 -0.0083014651 0.0010291996 0.0023949196 0.0069440552 -0.0049362633 -0.0001828006 -0.0006690168 0.0036468313 -0.0001629113 -0.0021351612 -0.0078128816 -0.0018107109 -0.0097175163 0.0027095609 0.0021108417 0.0007723793 0.0030676835 0.0023374661 0.0056983058 -0.0070423976 -0.0153424839 -0.0225172419 -0.0047627097 0.0389167314 0.0022519818 -0.0189376121 -0.0310741957 -0.0106278728 0.0399352071 0.0056171365 -0.0257904086 0.0647607918 0.1565463434 0.0727763414 -0.0519133200 -0.1024102806 0.0751779775 0.0215849921 -0.0020920823 -0.0333682482 -0.0480038163 0.0174226630 -0.0698315520 0.0198155871 0.0336224556 0.0272723559 -0.0067043202 0.0037833717 0.0332748164 0.0588453168 0.0138796927 0.0429135928 -0.0330775463 -0.0284297253 0.0154888526 -0.0382795834 -0.0145731853 0.0353325256 0.0041362640 -0.2523733885 -0.0715162447 0.0642130581 0.1571997828 -0.1321540075 -0.0135299671 -0.0000895477 0.0077092267 -0.0251302381 0.0899700048 -0.1138956793 0.1398460505 -0.1228159195 0.0219241831 -0.0113713043 0.0436180609 -0.0866763364 -0.0093667805 0.0122980924 0.0034412001 0.0248613744 0.0119680498 0.0072797863 -0.6403292484 -0.3875023314 -0.2001795241 0.0080206706 0.0023967796 0.0176508492 -0.0003397579 0.0037608237 0.0054246581 0.0045358332 -0.0196765460 -0.0534222727 -0.0107480168 -0.0278384913 -0.0449776886 -0.0392268134 -0.0414136206 0.0737468631 0.0045307451 0.0175520914 0.0063002648 -0.0568898557 -0.0547015214 -0.0664906435 0.0451812499 -0.0597106660 0.0886159352 0.0001040261 0.0178715068 -0.0505894261 0.0609144901 0.0139253857 -0.0636037803 -0.0077653854 0.0099702984 -0.0621690584 0.0067372964 0.0072279627 0.0124106134 0.0004610295 -0.0094982445 0.0204097635 0.1909189365 0.1993145234 0.0539968714 -0.0035489630 0.0045485841 0.0164570849 0.1112737702 0.0067985115 0.1107419571 -0.0130798228 -0.0555769809 -0.1036283927 0.0478164292 -0.0459207929 -0.0593404730 -0.0423989491 0.0193125258 0.0220588886 -0.0114274788 -0.0719473468 0.1644681280 0.0483413077 -0.0495881859 -0.0843383874 -0.0145922631 0.0150217961 -0.0342900025 0.0627746200 0.1289194251 0.1411408636 -0.0048083987 -0.2006397937 0.0071179960 -0.0855461260 -0.0575040754 0.0403732775 0.0588967001 -0.0040603094 -0.0434704229 0.0528234128 0.2140935321 0.0638682695 -0.0728061760 -0.1644874875 0.1031462119 0.0447896078 -0.0192068719 -0.0377858248 -0.0789585182 0.0945041831 -0.1793966005 0.0247356532 0.0878505360 0.1604896692 0.0176460582 -0.0155781930 0.0484699589 0.0322092911 0.0921316017 -0.0611071939 -0.0017374480 0.0435127165 0.1540887560 -0.0493871422 -0.0266981199 0.0431488677 -0.0099953235 -0.3086202837 -0.0892778870 0.0410932206 0.1789705005 -0.1696446541 -0.0342116275 0.0128839256 0.0015821545 -0.0605924183 0.1272755226 -0.1567137535 0.1525825169 -0.1416888120 0.0159729821 -0.0274639921 0.0587998790 -0.1167356566 0.0404196033 -0.0131156423 0.0600417011 -0.0138426612 0.0007695977 -0.0122290371 0.2950093215 0.3817073603 0.1410803643 0.0222099845 0.0501485232 -0.0983427263 -0.0018885861 0.0011262909 0.0001738432 -0.0006135261 -0.0086506196 0.0284322784 0.0178625050 0.0007578218 -0.0213448221 0.0112548791 -0.0064934684 0.0065496544 -0.0057866862 0.0031902386 -0.0023866100 0.0008480930 -0.0048543637 -0.0264499027 0.0142362284 -0.0090571501 0.0063146052 0.0009408328 -0.0006915514 0.0271465691 -0.0207817010 -0.0295436497 0.0599650168 -0.0181865001 -0.0178290455 0.0179934832 0.0073975254 -0.0036532388 -0.0152297535 -0.0024883207 0.0039792961 -0.0066083593 -0.0998314598 -0.1114160577 -0.0438428923 -0.0124142262 0.0150070765 0.0163546947 0.2216024803 -0.0281986109 0.2748068851 -0.0018528043 -0.1355105976 -0.1470097664 0.0203517082 -0.1658787771 -0.2332501485 -0.0741708538 0.0677392140 0.0319552772 -0.0381995490 -0.2197301147 0.4271650267 0.1678079763 -0.1543657853 -0.3104400694 -0.0113507233 0.0174518033 -0.0336733608 0.1629894396 0.0941773403 0.0708473246 -0.0091232430 -0.1798726153 0.0046235056 0.2880170262 0.1477795243 0.0608546974 0.0166283991 0.0299795850 -0.0353850259 0.0284248640 0.1504076174 0.0383072832 -0.0107698042 -0.0712566002 0.0766699964 0.0120723806 0.0084609581 -0.0001394826 0.0223022269 0.0099936411 0.0020709018 -0.0571770373 -0.0224187874 0.0215670848 0.0114281508 -0.0129830188 0.0274158294 -0.0449120305 0.0145338129 -0.0190491436 -0.0135594943 0.0118734419 0.0876295123 -0.0035000543 -0.0133009743 -0.0078966459 -0.0397034670 0.0418947945 0.0023961403 -0.0239854231 -0.0520727646 0.0311365924 -0.0085559003 0.0056073376 -0.0096102408 0.0078645872 -0.0199192831 0.0302189302 -0.0418725266 0.0425459781 -0.0079077206 -0.0197649816 0.0159840323 0.0086206095 -0.0861603316 -0.0433442687 0.0256433099 -0.0798702974 -0.0593756045 -0.0390366964 -0.2130199089 -0.1257982324 -0.0819202487 -0.0132553120 -0.0499556247 -0.0413575132 -0.0014530087 -0.0026720885 -0.0001919365 -0.0037220622 0.0086309747 0.0131710255 -0.0036272176 0.0073296067 0.0216608392 0.0089513053 0.0142657876 -0.0248371898 -0.0035934260 -0.0067122617 -0.0028071341 0.0046907446 0.0106409369 0.0226396063 -0.0170473471 0.0160035548 -0.0268053452 0.0017560549 -0.0050089937 -0.0067623882 0.0253154636 0.0014594905 -0.0160799053 0.0112282139 -0.0070794265 -0.0267952687 -0.0043511477 0.0050682072 0.0099928289 -0.0033222651 -0.0038230269 -0.0070505877 -0.0682033105 -0.0623588170 -0.0099562564 -0.0258222607 0.0111535796 0.0054483280 0.2032381010 -0.0193321437 0.2446569415 -0.0208042949 -0.1400166003 -0.1788494533 0.0186461208 -0.1575050515 -0.2288534236 -0.0788670268 0.0574221139 0.0409415110 -0.0452494219 -0.2021302604 0.3988282233 0.1104950061 -0.1432382153 -0.2616386464 0.0124237984 0.0203521304 -0.0150598311 0.1288428299 0.0391836606 0.0069461557 -0.0015009850 -0.0564922753 0.0083620361 -0.1095957981 -0.1331215312 -0.0160892651 -0.0127946798 -0.0034743186 0.0020786425 -0.0583482198 0.0041355821 -0.0200158350 0.0416035272 -0.0096519917 0.0199965887 -0.0415335420 0.0212919542 0.0210120754 0.0129462112 -0.1297416238 0.1820117547 0.0039607708 -0.0804039198 -0.1965051357 -0.0311837369 0.0273531712 -0.0218041065 -0.0012692306 -0.1270737680 0.1516071516 0.0141193289 -0.0684671051 -0.2047730553 0.0273224765 0.0142413636 -0.0327300035 -0.0102783620 0.2104731706 0.0537708036 -0.0016244546 -0.1307119331 0.1303280072 0.0278617610 -0.0162817405 -0.0028109690 0.0771109301 -0.1082126670 0.1350243126 -0.1030088161 0.1107713232 -0.0041511524 0.0057657363 -0.0183666537 0.0838102875 0.0251493870 0.0436224239 0.0111333958 0.0701918413 0.0146242641 -0.0087666364 -0.1090427099 -0.0520244323 -0.0483216968 0.0694308281 -0.0030311726 -0.0111644730 0.0031661042 0.0001571006 0.0005359588 0.0026979529 0.0070919883 -0.0282693064 -0.0143064298 -0.0033040228 0.0120054392 -0.0120757671 0.0017998892 0.0024860391 0.0059247997 0.0002309038 0.0030328660 -0.0016709322 0.0020089711 0.0156275084 -0.0025548271 0.0057601636 -0.0003904030 -0.0029708354 0.0069207621 -0.0108898094 -0.0155750892 0.0058895875 -0.0075507454 0.0099583577 0.0193448709 -0.0020437191 -0.0008273796 0.0058724245 0.0030771022 0.0016186096 -0.0023636971 0.0050397641 0.1070328849 0.1150999008 0.0377157433 0.0175826994 -0.0129552867 0.0091535425 -0.0963667906 0.0267179990 -0.1411234684 -0.0064529240 0.0893646499 0.0534209637 0.0415820992 0.1127609933 0.1745771982 0.0247120160 -0.0317416461 -0.0155621509 -0.0343622651 0.0795427561 -0.2061395218 -0.0080207916 0.0884645106 0.1552633054 -0.0277660661 0.0288642846 -0.0075488539 -0.0438374669 0.1084180240 0.1169853629 -0.0281471808 -0.0851094905 0.0187132180 0.0219679861 -0.0051871740 0.0452696946 0.0725074327 -0.0450514190 -0.0641552565 0.0583195003 0.2839894149 0.1016759237 -0.0329193717 -0.2954752195 0.1930403036 0.0011773568 0.0256941013 -0.0043114936 -0.1130456939 -0.1594180096 0.1512632117 0.0830359714 -0.0228415117 -0.1741573088 -0.0310709158 0.0478140292 0.0493199052 0.0340945735 -0.1621594985 0.2937846830 0.0151351786 -0.1063618548 -0.2126256642 -0.0038105915 -0.0237489527 -0.0354365735 -0.0984593732 0.1679704508 0.0171467524 0.0588225245 -0.1716129616 0.1658116526 0.0037898196 -0.0215798851 -0.0255191585 0.1635210816 -0.1470799174 0.1989825194 -0.1111769510 0.1688248926 0.0086351331 -0.0874517731 0.1027388924 0.0588254599 -0.0060976331 -0.0134419947 0.0607171249 0.0008908352 -0.0208473291 -0.0353655725 -0.0898631074 0.0778755600 -0.0218424947 -0.0355823290 0.0468353163 -0.0584024330 -0.0021757596 0.0026190565 0.0017086470 0.0003900134 -0.0132515886 0.0085485394 0.0111935374 -0.0041304870 -0.0252625929 -0.0028857889 -0.0129279620 0.0217894561 -0.0029660126 0.0033201908 -0.0011799182 0.0058524364 -0.0031691434 -0.0243222257 -0.0024036003 -0.0124615061 0.0182876277 0.0027495525 -0.0039420910 0.0018545431 -0.0132056768 -0.0022375109 0.0032178419 0.0093389563 0.0005759274 0.0043496152 0.0042078053 0.0041725980 -0.0008254198 -0.0008404103 -0.0002002535 -0.0001850783 -0.0117907899 -0.0098691814 -0.0091629949 0.0104471114 0.0050448201 0.0076877757 0.0011964818 -0.0003184850 0.0071036506 0.0169275141 0.0022378670 0.0294039385 -0.0065796896 0.0079675142 0.0147630713 0.0051674376 -0.0000628834 -0.0099690049 0.0165245104 0.0135626983 -0.0178631694 0.0002215147 0.0043987635 -0.0028541505 -0.0144627272 -0.0068863437 -0.0057767082 -0.0078828467 0.0086067664 0.0181722785 -0.0276089981 -0.0303549837 0.0062637608 -0.0098622219 -0.0021058611 0.0041324308 -0.0001232409 -0.0032274496 0.0000694489 -0.0150214508 0.0063940824 -0.0030642229 -0.0043225833 -0.0104088167 0.0084446146 0.0009604445 -0.0018761854 0.0037397117 -0.0026525202 -0.0003687547 0.0014527053 0.0108454734 0.0046236707 0.0037057322 -0.0058296714 0.0019240062 -0.0056850763 0.0010992842 -0.0058175696 0.0047255107 -0.0115531636 -0.0091999606 -0.0148477376 0.0006301057 0.0047868563 -0.0006542753 0.0077050831 0.0033500656 0.0024530715 0.0009008709 0.0057643569 -0.0016095882 0.0041949983 -0.0028504919 0.0034084373 0.0009544856 -0.0005823639 -0.0009185468 0.0063342060 -0.0072936928 0.0024168899 0.0072395510 -0.0079997546 0.0032737533 0.0015832642 0.0005114119 0.0108473101 0.0074522584 0.0065284321 -0.0053847554 -0.0237822846 -0.0046249791 -0.0129228940 -0.0007389704 0.0069548181 -0.0033679629 0.0126751683 -0.0533315344 0.0086024486 -0.0295782016 0.1962519991 -0.0530350376 -0.1834983267 0.0449107538 0.4045643932 0.0358545425 0.1777360024 -0.2920782697 0.0080158340 -0.0264207348 -0.0088384596 -0.2647928849 -0.0405911266 0.2743848375 0.1431832494 0.1025379614 -0.2167626924 -0.0135070248 0.1267736990 -0.0721252112 0.2572361806 -0.1435081547 0.1366085199 -0.1912837271 -0.1138919974 -0.4008974348 0.0150726879 -0.0232078121 0.0117165061 0.0086165467 -0.0259754822 0.0497574164 -0.1358497271 -0.2083512761 0.0132128517 -0.0829533916 -0.0422326754 -0.0826088241 -0.0655560398 0.0129765951 -0.1459269160 -0.1354872594 -0.0160233823 -0.2398943829 0.0035093344 0.0375679975 0.0085714950 -0.0379755995 -0.0204068388 0.0959247186 -0.1557124023 -0.0303867761 0.0121260830 -0.0419449403 0.0130059335 0.1451454227 0.1235840307 0.0689734339 0.0525184092 0.0225367982 -0.0353183365 -0.1020290164 0.2757307472 0.2345495474 -0.0644992931 0.0091985322 -0.0047731557 -0.0214217418 0.0091777912 0.0505168929 -0.0008416054 0.1558423237 0.0046661146 0.0603981756 -0.0438526395 0.0733527471 -0.0410764431 -0.0393386861 0.0238671383 -0.0857898970 -0.0300120469 -0.0291463712 -0.0303695827 -0.1529149566 -0.0619233667 -0.1030719664 0.0884040807 -0.0028088207 0.1072153785 0.0576856392 0.0656681234 0.0245556259 0.2184486965 0.1235457754 0.1397983499 -0.0097599924 -0.0895759412 0.0076715265 -0.1588094224 -0.0368546457 -0.0465547457 0.0616630494 -0.1325080512 0.0844910187 -0.0735082239 0.0392876482 -0.0716765109 0.0563010001 -0.0431198623 0.0879920944 -0.1404260931 0.1879271284 -0.0358747374 -0.1700815537 0.1978184436 -0.0457983971 0.0073587329 -0.0048658506 -0.0320108726 -0.0016327470 -0.0335268333 0.0716649950 0.2128968988 0.0149784840 0.1174259165 0.0060675348 -0.0261902389 -0.0178498728 0.0452789237 0.0071993639 -0.0198235536 0.0413673000 0.0521834417 -0.2692072645 -0.0964928710 -0.0316128355 0.0546633534 -0.0867036589 0.0066362152 0.0168330539 0.0394240751 0.0007432797 0.0329983008 -0.0394417799 -0.0193435563 0.0848050573 -0.0057507781 -0.0073040823 0.0591765011 -0.0535173757 0.0061657983 -0.0605950357 -0.0132076683 -0.0043720528 -0.0612761367 -0.0434295724 0.0027736086 -0.0912343576 -0.0358623587 -0.0065815550 0.0419276504 0.0135150543 -0.0082022388 0.0160284871 0.0782197943 0.0808548017 0.1180655968 0.0978596539 0.0658893974 0.0831666523 0.0896544829 -0.0525218597 0.2404251437 0.2005674948 -0.0206528049 0.3548429984 -0.0911833175 -0.1262143883 -0.1419828613 0.0476869228 0.0400304654 -0.1140442566 0.2155282236 0.0132475618 0.0578109845 -0.0119293543 -0.0714727723 -0.2631107650 -0.1341250180 -0.1065613492 -0.0276354554 -0.0970406077 -0.0853042805 0.0029149271 -0.2957745121 -0.1153339346 0.0593792196 -0.0327955450 0.0129925794 -0.0337384637 0.0096067081 0.0165900173 0.0080303516 0.1368895744 -0.0268366519 0.0590108546 -0.0567267126 0.0478427379 -0.0433671700 -0.0213553867 0.0160507622 -0.0705437296 -0.0560416681 -0.0324891794 -0.0299163223 -0.0695876932 -0.0211248460 -0.0779272298 0.0756659025 0.0151022908 0.0941408962 0.0947696309 0.0450147969 0.0682988572 0.1897205865 0.0866387156 0.0695607243 -0.0108724257 -0.0833784276 0.0052138472 -0.1380787171 -0.0313553359 -0.0370269072 0.0894085253 -0.1298550265 0.0970696705 -0.0697762870 0.0276349906 -0.0681838696 0.0923206545 -0.0566844185 0.1061266595 -0.1158605840 0.1840641537 -0.0196534609 -0.1826361672 0.2203973295 -0.0495307819 0.0120969627 0.0056283916 -0.0461706229 0.0095936990 -0.0070320287 0.0583939612 0.1256317772 -0.0477311072 0.0634360265 0.0032469869 0.0098371558 0.0632389779 0.0119414638 0.0057516868 -0.0074698237 0.0135206438 0.0027198490 -0.0699789332 -0.0134479136 -0.0095569382 -0.0105391290 -0.0239035740 -0.0080493298 0.0200581534 0.0099843858 0.0011457159 0.0100897493 0.0050221406 -0.0017476342 0.0104364596 -0.0145214069 -0.0038401227 0.0252211524 -0.0140100544 -0.0072294193 -0.0093220513 -0.0182685311 0.0077419907 -0.0231135532 0.0037873424 0.0118066674 0.0090339747 -0.0116210187 -0.0018997420 0.0093793301 0.0023909987 -0.0001325270 -0.0021367214 0.0303154774 0.0364496419 0.0299944546 -0.0248242199 -0.0081733921 -0.0252943742 -0.0071926534 -0.0037224795 -0.0167972834 -0.0310885282 -0.0169863754 -0.0596036358 -0.0128477246 -0.0100482775 -0.0304120137 -0.0084016062 -0.0033262235 0.0268423310 -0.0200151027 -0.0068925351 0.0222539058 -0.0301716213 -0.0099703920 0.0210612981 0.0383792232 0.0092337314 0.0171023823 0.0003353837 -0.0346930576 -0.0472027683 0.0899003120 0.0782834632 -0.0260877291 -0.0206233862 0.0084213542 -0.0116725279 0.0029899424 0.0192334873 0.0093174680 0.0782820746 -0.0164702745 0.0348096869 -0.0506831190 0.0535327356 -0.0388642579 -0.0184522976 0.0052714375 -0.0421587078 -0.0366270892 -0.0130236062 -0.0278340246 -0.0549081939 -0.0144116617 -0.0349627182 0.0326917458 0.0061256876 0.0469891155 0.0497900362 0.0251239738 0.0319666272 0.0767447041 0.0340951289 0.0369260553 -0.0040481134 -0.0369744388 0.0029486579 -0.0737464546 -0.0128175631 -0.0227798732 0.0521528639 -0.0587766954 0.0495441480 -0.0296481668 0.0122766412 -0.0324925100 0.0455810402 -0.0333998642 0.0569722844 -0.0640551985 0.0931162943 -0.0119507566 -0.0820624305 0.0973670927 -0.0148660931 0.0039651322 -0.0064635646 -0.0122190929 0.0315667365 0.0146999333 0.0510513470 -0.1566530172 -0.1805247066 -0.0297188707 0.0078954287 -0.0097527145 0.0008341759 -0.1067744253 -0.0378579623 0.0471497424 -0.1125382868 -0.0574229322 0.6376061010 0.1730424166 0.0934070550 0.0053259855 0.2285041573 0.0467206701 -0.1522455407 -0.0871576379 -0.0058818633 -0.0798422815 -0.0043293374 0.0235375931 -0.1198112932 0.0975615336 0.0471904441 -0.2120509864 0.1242415389 0.0345530149 0.1059016030 0.1809059185 -0.0201245257 0.1497948696 0.0574873970 -0.0381467257 0.0399472922 0.0580134629 -0.0071402451 -0.0832463748 -0.0211677987 0.0115605591 -0.0144299933 -0.1022124711 -0.1156123907 -0.2194325006 0.0235944733 -0.0214898661 0.0494340433 -0.0164487767 0.0589759866 -0.0909715337 -0.0379036882 0.0851253528 -0.0530636227 0.1527991825 0.1401907694 0.2463293225 -0.0163530826 -0.0062561741 -0.0313216635 -0.1190850513 -0.0208015131 -0.1011261007 0.1963562604 0.0922120753 0.0747044854 -0.0572077748 0.0506815096 -0.0362270396 0.1665609187 0.1562363380 0.1093254689 -0.1914852551 -0.1836391475 0.0875910720 0.0235054291 -0.0561733496 -0.0017220248 0.0503762866 0.0701401217 0.0079016174 0.1361175564 0.0347723600 0.0394635621 0.1399022825 0.0596448441 0.0377817254 -0.1058838622 0.0291911080 -0.0717730590 0.0507722497 -0.0445087366 0.0352443075 -0.2802594021 -0.1578194283 -0.1927067001 -0.0116756625 -0.0782883131 0.0221420920 -0.2097985019 0.0002671076 -0.1260350825 0.0726438886 0.0994439282 0.1699155368 0.0140833419 0.0161301224 0.0092842321 -0.1023791134 0.0151564750 -0.0577899666 -0.1491869420 0.0438301541 -0.0846591755 0.0456343702 0.0388875323 0.0178315118 -0.2136766125 0.0471973584 -0.0931345753 -0.1346701844 -0.0328538782 -0.0938075563 0.1928820350 -0.2849333889 0.1217307553 -0.0076014250 0.0176461804 0.0016881624 0.0526284013 -0.0644629545 0.0173598727 0.0899694750 -0.1260476840 0.0071480582 0.0090963992 -0.0063054109 0.0075988389 -0.0091516422 -0.0024063314 0.0043384020 -0.0089467788 -0.0071705923 0.0485537470 0.0141069239 0.0058568085 -0.0041559107 0.0155163650 0.0008483506 -0.0067390602 -0.0046989315 0.0003872908 -0.0060439475 0.0052675917 0.0024091948 -0.0139927156 0.0097284741 0.0017938009 -0.0129654841 0.0097420389 0.0049363181 -0.0004023351 0.0172573860 0.0005796185 0.0017736081 0.0234804602 0.0055946640 -0.0206684898 -0.0053972127 0.0008505226 0.0012514694 0.0000359334 -0.0007978862 0.0014075146 0.0466853874 0.0531203337 0.0162144135 0.0032480170 0.0331213089 -0.0439677576 -0.0237174708 -0.0860199793 0.0935209776 0.0950239041 -0.0546604242 0.2028670468 -0.2096674664 -0.1550639673 -0.2625936950 0.0217705960 0.0099327270 0.0135777025 0.0771573509 0.0077049512 0.0640254978 -0.2411583042 -0.1063303912 -0.1109405454 0.0265624523 -0.0398547640 0.0636139205 -0.2544722431 -0.1639495134 -0.1054885846 0.1662829060 0.2437464779 -0.0749009477 -0.0121818065 0.0308887216 -0.0081097908 0.0954409959 0.0506470809 -0.0297285699 0.2176808245 0.1722725239 0.1044356203 -0.0591833904 -0.0470987146 0.0429037977 -0.0266507863 -0.0160402914 -0.0726340396 -0.1303869986 -0.0152154200 -0.0999590735 -0.0768356696 -0.0124206648 -0.0177852987 -0.1008226937 -0.0393389499 0.0320681218 -0.0977291262 -0.0650286208 0.0599747882 -0.1853875138 -0.1155547204 0.0177390134 -0.0171215152 0.0685248644 -0.0126271563 -0.1610374938 0.0717288752 -0.0936602475 -0.0202935456 0.0777048779 -0.0227004086 0.0967276912 -0.0270998607 0.0386760775 -0.0449043254 -0.0772734916 0.0475786825 -0.0993858904 -0.0183578593 -0.0423119475 0.1917148144 -0.2765191664 0.1940854931 0.0123162306 -0.0193738016 -0.0201972545 -0.0149860477 -0.0167610271 0.0734679703 0.0678908322 0.0732967562 0.1105718499 -0.0123996433 0.0152941397 -0.0241635379 0.0019747042 0.0013990396 -0.0021815030 0.0022062105 0.0006244466 -0.0112314659 -0.0012181965 -0.0008494476 -0.0034374590 -0.0033148614 -0.0016364475 0.0033989692 0.0002217402 0.0001680372 0.0016886083 -0.0053214930 -0.0022230825 0.0034753166 -0.0056854772 -0.0003265868 0.0045074602 -0.0016269930 0.0002280486 -0.0031717616 0.0027063603 -0.0059747940 0.0027695220 0.0090838784 0.0022036807 -0.0147417885 -0.0030220267 -0.0010803401 0.0032624835 -0.0008257153 -0.0005832229 -0.0018242897 -0.0235524220 -0.0224913796 -0.0012983435 0.0300256855 0.0304592471 -0.0304835706 -0.0813281997 -0.0859177683 0.0358448974 0.1183593694 0.0118879578 0.2995195131 -0.2044825429 -0.1071933272 -0.1777385896 0.0127296559 0.0023603848 0.0040923997 -0.0467354170 -0.0152676057 -0.0227974652 -0.2427651299 -0.0862405893 -0.0832213035 -0.0031845268 0.0011864847 0.0648010379 -0.2966172401 -0.0576897265 -0.0046484817 0.1326060531 0.1983703380 -0.0519215725 0.0314929177 -0.0553460259 0.0359999056 -0.0223957946 -0.0374381177 -0.0058487779 -0.1084052587 -0.0055057431 -0.0373062499 0.1612746910 -0.0883326431 0.0927637593 -0.0442854133 0.0515994864 0.0468972142 0.1170462564 -0.0792877672 0.2131863818 -0.0772857585 -0.1047201636 -0.1696973955 0.0691812353 -0.0238416971 -0.0298834886 -0.1839951851 -0.0190448128 -0.1169771926 0.2314140417 0.1809972550 0.0729663678 0.0371251763 -0.0469955642 0.0078486338 0.1353912742 -0.0121246937 0.0838642709 -0.1964271762 -0.0545251711 -0.0717789143 -0.0442191258 0.0607315170 -0.0021360039 -0.1842131134 0.1506725612 -0.1724974369 0.0161980942 -0.0683250035 -0.0351703407 0.0267995683 -0.0322307683 -0.0839212146 -0.0078182580 0.0020213690 0.0653997742 0.0234801965 -0.0254331897 -0.0552913671 -0.0369632840 -0.0083437963 -0.0581076467 -0.0213759028 0.0400461986 -0.0784003232 -0.0080668237 -0.0048555161 0.0014761979 -0.0094837951 0.0013493006 0.0481704124 0.0112402098 0.0096095488 0.0086871155 0.0218192744 0.0082630584 -0.0234141004 -0.0021950332 0.0024680931 -0.0035762402 -0.0091988148 -0.0034365933 -0.0065606277 0.0327805478 0.0053291996 -0.0191396286 0.0078364276 0.0032048085 0.0054837769 0.0322684596 0.0113314850 -0.0104588368 -0.0043169666 -0.0045428036 0.0046985000 -0.0095396047 -0.0055674145 -0.0036281808 0.0048882597 0.0026111611 0.0027035003 0.1022186212 0.1110218574 0.0233899862 -0.0027592233 0.0019682826 -0.0065340670 -0.0013613587 -0.0084483833 0.0048666881 0.0039133914 -0.0030261269 0.0126161269 -0.0170713620 -0.0121237690 -0.0231403963 0.0030160173 -0.0020721324 0.0055487390 0.0178083605 0.0068465226 0.0070649909 -0.0308403586 -0.0081287818 0.0015461989 0.0022669128 0.0001845762 0.0039443179 -0.0189404163 -0.0006436248 0.0068595351 0.0306413800 -0.0006362397 -0.0120381884 -0.0231793746 0.0126741791 0.0142054164 0.0040518144 -0.0006691578 0.0149791103 -0.0138035989 -0.0201700790 -0.0065566459 -0.0047569038 0.0378832696 -0.0230277862 -0.0239820895 0.0017964897 -0.0050894535 -0.0040881672 -0.0154392944 0.0168795823 -0.0278866871 -0.0151135158 -0.0286306524 0.0089037583 -0.0028142798 -0.0024661851 -0.0176301651 0.0024430141 -0.0167853112 0.0512482041 0.0340754802 0.0012193259 0.0083784176 -0.0098063911 0.0046356277 0.0056683405 -0.0060509940 0.0053179269 -0.0116988350 -0.0094547108 -0.0034448157 -0.0061252190 0.0126110137 -0.0046766196 -0.0295015640 0.0162203641 -0.0179648767 -0.0191467012 0.0063443149 -0.0136242230 0.0038960520 -0.0078010626 -0.0025505277 0.0006944775 -0.0045247272 0.0179636239 0.0624226459 0.0273919161 -0.0004554364 -0.1058328036 -0.1624565250 -0.0781362586 0.0025402868 0.0035614321 -0.0118372265 0.0020140744 0.0334046939 0.0325435338 0.0211424485 -0.0789160534 -0.0868924959 -0.0054846966 -0.0497618762 -0.1170974118 -0.1074469725 -0.0928962622 0.2241015875 0.0001938505 -0.0222721651 -0.0291911207 0.1430734489 0.0546908133 -0.0431603446 -0.2586829061 -0.0207230612 0.0588563647 0.0183798006 0.0044005762 -0.0674935770 -0.2187595019 -0.0664782355 0.0798298037 0.2018079326 0.0777280882 -0.1790508004 0.0347291534 0.0576620356 0.0533257573 -0.0102160710 -0.0287485493 0.0015317023 -0.5269666134 -0.5492660263 -0.0466725654 0.0000987671 -0.0007379491 0.0057836426 0.0074861730 0.0078258982 0.0024162161 -0.0040637562 0.0013881489 -0.0089483887 0.0152258136 -0.0028463558 0.0005020400 0.0008489784 0.0022536035 -0.0054134196 0.0011199219 -0.0025782210 0.0007237659 0.0181540394 0.0036917467 -0.0054936643 -0.0015936968 -0.0041658288 -0.0027548476 0.0044399557 -0.0049392513 -0.0064498556 -0.0256485299 0.0054749674 0.0091425075 0.0092724913 -0.0176277405 -0.0124750384 -0.0097051265 -0.0011341498 -0.0176294176 0.0035319954 0.0202813220 0.0010018287 -0.0163027860 -0.0284442761 0.0072735152 0.0196404858 -0.0038110246 0.0169275647 -0.0080932094 0.0059048294 0.0009131251 0.0273984937 0.0117091067 0.0345910422 -0.0031882544 0.0058817539 -0.0062729675 0.0070549718 -0.0064377150 0.0104448796 -0.0336022526 -0.0225173408 -0.0108972040 -0.0022470759 0.0069036474 -0.0060676525 0.0319605241 0.0104391764 0.0152263849 -0.0004877992 0.0006946983 0.0021061247 -0.0018829075 -0.0096193752 0.0049886223 0.0246798651 -0.0000475501 0.0024232445 0.0378097726 -0.0167708163 0.0195386022 -0.0134158894 0.0247152144 -0.0193390476 0.0042035961 0.0071030963 -0.0137805166 -0.0525660590 -0.0204737234 -0.0018447790 0.1837976871 0.1958776382 0.0935558854 -0.0028363403 0.0009099354 0.0096827692 -0.0866657835 -0.0023450737 0.0612655176 -0.0725037393 -0.1125060384 0.3750299169 0.1180511541 0.0280659102 -0.0943579170 0.0696957722 -0.0572574062 0.0889372814 0.0105034088 -0.0012541796 -0.0665213280 0.2035024772 0.0620490529 -0.1657871251 -0.0087828229 0.0371784670 -0.1091104510 0.0793247917 0.0403404036 -0.1341698661 0.1282394345 0.0575091905 -0.1673959877 0.3968182766 0.1489760876 -0.3880329206 -0.1311050570 -0.0196672118 0.1254328705 0.0473304642 -0.0240762596 0.0327229558 0.1464761046 0.1906089304 0.3190860652 -0.0721834885 -0.0085213135 -0.0204170141 0.1329544573 0.0563738828 0.0609011085 -0.1102185255 -0.1324059529 -0.3431348739 0.0917717432 -0.0344371556 -0.0824521708 0.0624631767 -0.0046808053 0.0158413798 0.3836019568 0.1493779529 0.0957906091 0.1036202519 0.0476746093 0.0836433668 0.0224162686 -0.0562866002 -0.0415835126 0.0492309505 -0.0367509776 -0.0154498223 -0.0338508181 -0.0689933067 -0.0041655360 -0.0437166100 0.0725346795 -0.0192242210 0.0265950755 -0.0758380723 -0.0363409768 0.0776019274 0.0776031824 0.0750518255 -0.0771011898 -0.1877023724 0.0663526520 0.0142242157 0.0483584844 0.0170913479 -0.1047172383 -0.1332198018 0.1674467081 0.1441034637 0.0259433450 -0.1549001154 0.0176324931 -0.0125059069 0.0158047002 -0.2869967828 -0.1480080602 0.0602911146 0.1787872609 0.1115997058 0.0108341019 0.0229207020 -0.0429975570 -0.0126729322 0.0460963953 0.0459907286 0.0510449668 -0.2659121343 -0.0822329293 -0.0733981563 -0.0048103329 0.0539207085 0.0175738149 -0.2133598761 0.1233663823 -0.1541196473 -0.0334218317 -0.0808192655 -0.0579037136 0.1102225939 -0.1570788825 0.0091347040 0.0097432559 -0.0106716516 -0.0324404370 -0.0286502340 0.0418595564 0.0315723767 -0.0540762156 0.0828880483 0.0371440885 -0.0304394444 0.0230895906 0.0682150481 0.0008990570 -0.0018067385 -0.0020493134 -0.0002937788 0.0051487445 -0.0009113846 -0.0017334836 0.0016014756 0.0072116531 0.0033978979 0.0052149473 -0.0117886310 -0.0002554076 0.0011613850 0.0023656615 -0.0073783896 -0.0027954896 0.0026012676 0.0103532733 0.0007631977 -0.0010429011 -0.0020187545 -0.0003048745 0.0005014696 0.0151710580 0.0029453082 -0.0080058900 -0.0084616238 -0.0015156071 0.0086238022 -0.0007946753 -0.0047959178 -0.0009367506 0.0003936649 0.0010066914 -0.0002418731 -0.0024617700 -0.0038139132 -0.0060674641 -0.0409289296 0.0028077566 -0.0253752256 0.0598412785 0.0168080011 0.0398938501 -0.0428291617 -0.0811260893 -0.1461990773 0.0042251911 -0.0512075362 -0.1061267974 0.0557222687 -0.0066061950 0.0155365720 0.2572237415 0.1118780146 0.0400474573 0.0026930157 0.0192399203 0.0595047436 -0.0006525108 -0.0203640013 -0.0114855233 -0.1004036870 0.0208705204 0.0567707607 -0.0018757712 -0.0147478220 -0.0079949291 0.0090603956 -0.0240056351 0.0270703054 -0.0455480388 -0.0470941615 0.0662029139 -0.0789714938 -0.2335842844 -0.0545683588 0.2199423221 0.0650204148 -0.0016586266 0.0356195921 0.0356735675 -0.0606842026 0.3253202816 0.1467085859 -0.1032413132 0.1317093267 0.0769619309 -0.0955690928 -0.0083352538 -0.0225138729 0.0462034736 0.1721351609 0.1080798424 -0.0330326887 0.0587072111 0.0353632924 0.0517299273 -0.0632234648 -0.0032800648 0.0390454672 -0.3992174891 -0.1172981827 -0.2155871931 0.1185438310 0.0930591731 -0.0081544707 0.0584791042 -0.0027812216 -0.0254834522 0.0027870492 -0.1383838390 0.1301783617 -0.2269342384 0.1348701914 -0.0892867932 0.0719133397 -0.1488574102 0.2106095864 -0.0103278258 0.0086994606 0.0583039262 0.0045851862 0.0161819048 -0.1190550029 0.0251225230 -0.0575027678 -0.1404146011 -0.0348108346 0.0425717198 -0.0008440983 -0.0047676232 -0.0015283853 0.0059818631 -0.0044441377 -0.0039059617 0.0213614808 0.0027291679 0.0009291686 0.0031432788 0.0028064477 -0.0018054780 0.0042183887 0.0043179715 0.0012929400 -0.0053247137 0.0172219382 0.0046450359 -0.0132585062 0.0134502769 0.0037816882 -0.0116331939 0.0011378886 0.0009590468 -0.0056087252 0.0020708090 0.0075489345 -0.0143713925 0.0058690672 0.0034917873 -0.0085412234 -0.0094100674 -0.0016859120 0.0049657165 0.0045842507 0.0001145361 0.0035600499 0.0509462696 0.0521687543 0.0354038822 0.0653870310 -0.0008299508 0.0371292115 -0.0946332495 -0.0335170898 -0.0512790356 0.0757759650 0.1222380675 0.2466579485 -0.0256616825 0.0644316478 0.1408794444 -0.0929103914 0.0051755005 -0.0183843766 -0.4119301247 -0.1779823056 -0.0626799260 -0.0657626588 -0.0525158915 -0.1026526219 0.0215104140 0.0214048192 0.0046167730 0.1368543396 -0.0270058019 -0.0762312014 0.0564219542 0.0071339544 -0.0163036980 -0.0158709785 0.0253718331 -0.0142287388 -0.0724633630 -0.0633421469 -0.0224409058 -0.0474798380 -0.0438213646 0.0009362455 -0.2041986947 -0.0313247784 -0.0866190203 0.1091239857 0.0649359330 -0.0143859567 0.0815408442 0.0147899401 0.0291906576 0.3616396231 0.1695421472 -0.1120064944 0.0036402222 -0.0003973950 0.0612175063 -0.1269444780 -0.0921143194 0.1170150977 0.1399040900 0.0732029820 0.0144228904 -0.0408617469 -0.0383526872 -0.0032051399 -0.2429422670 -0.0159815110 -0.1047151314 -0.1829918169 -0.0255567761 -0.0704388129 0.0415166363 0.0279703517 0.0091825585 -0.1478970623 0.0003508700 -0.0294015163 -0.1417770356 -0.0039677265 -0.0878100210 0.1387745141 -0.2249991864 0.1477078808 0.0071871597 -0.0043376477 -0.0282878321 -0.0261439970 0.0543307908 0.0188677935 -0.0797018356 0.0910378947 0.0226416842 0.0464115031 -0.0520933046 -0.0097121935 -0.0003537906 0.0008461157 0.0008488757 0.0001025740 -0.0025122804 -0.0008086547 0.0000369122 -0.0004590875 -0.0020744149 -0.0017050558 -0.0024602363 0.0055647988 0.0002152386 -0.0008978375 -0.0014120159 0.0010837776 0.0005381438 0.0002081775 -0.0084799581 0.0002132545 0.0000689235 0.0015530080 -0.0008646362 -0.0029131150 0.0030982798 0.0033054219 -0.0069934796 0.0031416626 0.0020025127 0.0011558415 0.0008576472 -0.0002468530 0.0031781470 0.0016495239 -0.0009240462 0.0002944413 -0.0359438130 -0.0366881313 -0.0094574677 -0.0003681315 0.0002669662 -0.0025914693 -0.0026667959 -0.0025048953 -0.0009913469 -0.0000117637 -0.0042108924 -0.0057546529 -0.0049713818 0.0040701712 0.0032600029 0.0016804687 0.0007687911 0.0019212663 0.0076199330 0.0042840266 0.0027294619 0.0080532210 0.0031438064 0.0047054538 -0.0014858857 -0.0006618105 -0.0008103793 -0.0029527305 0.0020985294 0.0033238446 -0.0036163046 -0.0019384240 0.0008495897 -0.0006924970 -0.0069148724 -0.0022165731 -0.0063575628 -0.0029547451 0.0003744814 0.0076381150 -0.0138640534 0.0020897279 0.0054758601 -0.0004228470 -0.0003106397 0.0027214560 0.0020942923 0.0013597155 0.0141995395 0.0052738196 0.0009482938 0.0039501017 0.0009831552 -0.0014817303 0.0010849401 -0.0004464020 0.0003882472 0.0057399337 0.0038477517 -0.0025470543 -0.0012910118 -0.0000266199 0.0035573576 -0.0022589584 0.0010133022 -0.0000670502 -0.0065971056 -0.0014500448 -0.0039433090 0.0005142160 0.0028459492 -0.0012157679 0.0009611885 -0.0015511823 0.0000011741 0.0035756310 -0.0034337846 0.0034204931 0.0000666992 0.0007626764 0.0007103826 -0.0003934076 0.0000315697 0.0019662227 0.0003076359 0.0018723365 0.0038444126 -0.0070324086 -0.0012611568 -0.0056245460 0.0116566572 0.0161498572 0.0022205061 -0.0006204579 0.0018166468 -0.0000518103 0.0049638999 0.0417653784 -0.1921476505 0.0197470694 -0.0277932327 -0.0186954112 0.2187939876 0.0716511763 -0.3732099860 0.1839590812 0.0460349936 -0.2569133510 -0.1432961714 -0.0740895230 0.1931324106 -0.2008710074 -0.0549013957 0.3023195939 -0.3781400988 -0.0738549845 0.2812046158 0.0910033781 0.0476686761 0.0028294139 0.2121406621 0.0087123323 0.0149144318 0.3425183172 0.1086461692 -0.2285281495 0.0045406482 -0.0019884258 -0.0034626766 0.0122708012 -0.0127472267 0.0185965196 0.0154272495 0.0054602251 -0.0076407126 -0.0274263594 -0.0033035937 -0.0364113947 0.0013304692 0.0044942822 -0.0233026697 -0.0274047148 -0.0285815776 -0.0695199098 -0.0188115763 -0.0261500217 -0.0703318892 0.0658081784 0.0149383412 0.0188413202 0.1832920467 0.0825839209 0.0370645803 0.1355703557 0.0665966321 0.0803690268 -0.0678477666 0.0217029395 0.0382103019 -0.1455506188 0.0461408094 0.0833478693 -0.1149620867 0.0392879632 0.0605040394 0.0420756818 -0.0775190284 0.0032010482 -0.1176226091 0.0452779760 -0.0787652574 -0.0875975777 0.0919512783 -0.0359969795 -0.3599131893 0.0866576509 -0.1764124451 0.0699100658 0.0588499165 0.0163702428 0.0124727332 -0.0112353487 0.0765022199 -0.0300528524 -0.0140015201 0.0013645349 0.1013942359 0.0413364319 0.0626846241 0.0114809941 0.0313285280 0.0499852438 0.0098226881 0.0124804625 0.1204798475 -0.1133408450 0.0562055420 -0.1233799867 -0.1536834298 0.1662423639 -0.0862826702 -0.4305743172 -0.0064651175 -0.1639791924 0.0311597964 -0.1030257789 0.0719894928 0.1505931046 -0.0427558892 0.0327820859 0.2599554434 -0.1986270899 0.1342246484 0.0126826966 0.0071419794 -0.0666124431 -0.0057728738 0.0108789278 0.0039020179 0.0595622958 -0.0807777934 0.0575444271 0.1696625228 -0.2388129526 0.0339831474 -0.0020540541 0.0022406541 -0.0275285639 0.0081069310 0.0037703063 0.0079697250 0.0088103905 0.0000094374 -0.0410545800 -0.0227683007 -0.0141204094 0.0064593208 -0.0303880016 -0.0073863391 0.0326281399 -0.0078703121 -0.0042322206 -0.0126815323 -0.0113160773 0.0028444827 0.0049619475 -0.0403418228 -0.0059729286 0.0008655801 0.0077577191 0.0061367311 0.0111942832 -0.0308660260 -0.0186378419 0.0505659781 -0.0013576197 -0.0056509597 -0.0043425174 0.0077470487 0.0053509533 -0.0091298258 -0.0013191130 -0.0025780673 0.0008634133 -0.0123639696 -0.0046164761 -0.0360600788 -0.0150231386 -0.0084408841 -0.0532944694 -0.0534255597 -0.0191503839 -0.0735063602 -0.0098067071 0.0108452678 -0.0018684242 -0.0599276447 -0.0160532622 -0.0588254782 0.0588729946 0.0293044337 0.0387236263 0.1197865319 0.0515167234 0.0651001487 0.1832508043 0.0744636697 0.0840493444 -0.0798045324 0.0177014591 0.0370464646 -0.1229017080 0.0414606990 0.0811898002 -0.1046451458 0.0086886205 0.0511923597 0.0378471274 -0.0661146427 0.0048595461 -0.0682910866 0.0609398807 -0.0321595017 -0.0636674642 0.0364524232 -0.0454586473 -0.3292458465 0.1608106139 -0.2039219680 0.0949706779 0.0014501991 -0.0362461718 0.0344118052 0.0883945971 -0.1377897376 0.2516666183 0.1461945257 0.0255300634 -0.1230794028 -0.0319982870 0.0175271058 -0.2554213409 -0.2225058969 0.1734556943 -0.1639876938 -0.1154892799 -0.0479852467 0.1159054973 -0.0522083121 0.0741205347 0.2190076510 -0.0501881528 0.1373173410 0.2740704694 -0.0753151749 0.1600436588 -0.0373069201 0.0912913494 -0.0345478062 -0.1711127514 0.1047997351 -0.0988325460 -0.1442399833 0.0852897283 -0.0891981347 0.0067791401 -0.0200446848 0.0136746619 -0.0061795843 0.0100777878 0.0078224610 0.0253262317 -0.0535735939 0.0121903108 0.1172283837 -0.1382058722 0.0043396388 0.0149249718 -0.0134014993 -0.0322140817 0.0041542513 0.0016188742 0.0038514352 0.0043237011 0.0007943621 -0.0200126747 -0.0118014028 -0.0071644415 0.0037970685 -0.0151009845 -0.0027217638 0.0145038942 -0.0055813606 -0.0015551585 -0.0069247696 -0.0113306774 0.0002148293 0.0033766601 -0.0183623016 -0.0040627230 0.0007532590 0.0060601933 0.0032247089 0.0063373534 -0.0101108206 -0.0067609807 0.0217446052 0.0038999068 -0.0017857575 -0.0035605925 0.0007096335 0.0019869159 -0.0038225300 0.0003345467 -0.0012746298 0.0008135518 0.0108111080 0.0183844927 -0.0142636393 0.0061096721 -0.0086937264 -0.0455136093 -0.0857719037 -0.0402767484 -0.0857501912 0.0172561213 0.0437287360 0.0733516731 -0.0759981715 -0.0010286006 -0.0235498716 0.0172594191 0.0252022094 0.0440613225 0.0099015089 -0.0017578055 0.0709494143 0.1152381120 0.0355089689 0.0458147860 -0.0419577560 -0.0041601746 0.0032762867 0.0006064987 0.0070215031 0.0239874116 -0.0057081296 -0.0640632537 -0.0065705115 -0.0216249816 0.0198308871 0.0038009793 0.0174801731 0.0163801163 0.0111177686 -0.0250610748 0.0131188327 -0.0152578227 -0.0488831699 0.0438152830 -0.0321192177 -0.0089416808 -0.0256626467 0.0115770176 -0.1108750533 -0.0368611531 -0.0000562894 0.0188548924 0.0156382432 0.0487568485 0.0120377963 0.0250997553 -0.0104529508 0.0432383670 0.0141468344 0.0106032577 0.0832286297 0.0421370468 -0.0643362018 -0.0153261874 -0.0156392263 -0.0067439042 -0.0446092856 -0.0074394426 -0.0191647656 -0.0603937603 -0.0116539482 -0.0284287068 0.0105251410 0.0055500293 0.0029543654 -0.0294132024 -0.0007728489 -0.0050587336 -0.0238414975 -0.0056845978 -0.0174584207 0.0302117660 -0.0435101978 0.0258438057 0.0009496398 -0.0023107961 0.0146350382 0.0201788104 0.0042071054 -0.0117929243 0.0227291779 -0.1103484287 -0.0462745605 0.0223521917 -0.0163700160 -0.0091297403 -0.0851587374 -0.0277286794 -0.0698393564 -0.0846857297 -0.0195255719 0.3944097392 0.2443924271 0.1331717951 -0.1097656398 0.2915710182 0.0496148615 -0.2713339557 0.1136504719 0.0336885258 0.1381519543 0.2386533943 0.0125594326 -0.0410543950 0.4117071213 0.0559737351 0.0083499475 -0.1338977847 -0.0541229647 -0.0803960127 -0.0059828888 0.0628625865 -0.2571776099 -0.1121328566 0.0099585086 0.0448824822 0.0378131498 0.0412798149 0.0231905409 -0.0111094780 -0.0084480590 0.0000926420 -0.1521984706 -0.1852686827 0.0281141294 -0.0136528032 0.0326206355 0.1087280160 0.2089238840 0.0833061510 0.2369196413 -0.0203417126 -0.1238690442 -0.1464153147 0.1661508029 -0.0239953377 0.0092842730 -0.0457704210 -0.0818331679 -0.0992943077 0.0053915624 0.0225319572 -0.1859155545 -0.3738731975 -0.1067465318 -0.0898338998 0.0994906116 0.0309693441 -0.0144719528 0.0096008105 0.0248715605 -0.0245648420 0.0738275683 0.0869189550 -0.0094211437 -0.0114646997 0.0019962872 0.0155473993 -0.0347043871 0.0018616311 0.0115560194 0.1445324730 -0.1032531870 0.0579170735 -0.0897242339 0.0780779309 -0.0897146669 0.0364624429 0.0319301559 -0.0745791992 0.0338329598 0.0246750070 -0.0686059224 0.0336788337 0.0312348702 -0.0748964360 -0.0272730514 -0.0361743791 0.0732871302 -0.2296949823 -0.1352388492 0.1131645109 -0.1809963622 -0.1129149951 0.1377167571 0.0476049100 0.0358491608 -0.0351814699 0.1596221160 0.1305604454 0.0831342000 -0.0195419213 -0.0547433229 0.0495753965 -0.0361464631 -0.0188461857 0.0231352290 0.0491808349 0.0639010065 -0.0514284328 0.1521282495 -0.0806095716 0.0784610096 -0.0584596628 0.0985611217 -0.1218743015 -0.0048390695 0.0011581920 0.0426773341 0.0212043870 -0.0052788045 -0.0577818475 0.2201921288 -0.2860375748 -0.1142940546 -0.0383515220 0.0279928222 0.0070725526 -0.0214153038 -0.0067082537 -0.0186867300 -0.0210130004 -0.0050030681 0.0986682275 0.0637353015 0.0347393437 -0.0295398868 0.0754891979 0.0122920906 -0.0693883458 0.0296155266 0.0068240634 0.0374216403 0.0703215272 0.0054380656 -0.0117589664 0.1012664401 0.0169419855 0.0006069872 -0.0377907073 -0.0115681229 -0.0192052272 -0.0068626058 0.0099192013 -0.0548523025 -0.0272306244 0.0035236607 0.0012424872 0.0095716226 0.0113792503 0.0020895830 -0.0017220009 -0.0030346765 0.0022255414 -0.0146551827 -0.0264766614 0.0157346987 0.0327153333 -0.0250302732 -0.0910773260 -0.2141008249 -0.0967664273 -0.2110196550 0.0488449284 0.1326538885 0.2044698567 -0.1775949124 0.0228850172 0.0033333682 0.0018943486 0.0601079968 0.0988225399 -0.0917141222 -0.0575823078 0.1634812639 0.2200474381 0.0434388376 0.0480275773 -0.0402440737 -0.0519483860 -0.0401056676 0.0896881547 -0.0240909797 -0.0011444535 0.0485124654 -0.1757257539 -0.0638802854 -0.0386161423 0.0492933762 -0.0042367140 -0.0071931605 -0.0698657721 0.0310288300 0.2088759713 -0.1649746381 0.1048571422 0.1765266295 -0.0691209372 0.0670520506 -0.0045187769 0.0642204159 -0.0857505985 0.1812706193 0.0380633239 -0.0189707507 -0.0600217259 -0.0324851842 -0.1816609293 -0.0057130729 -0.0710251941 0.0790801257 -0.2095565391 -0.0737634667 0.0179800688 -0.2171261344 -0.1187077354 0.2441551434 0.0392812155 0.0763117321 -0.0408646113 0.1464337181 0.1476875274 0.0609588101 0.0038635910 -0.0046827897 0.0445664694 -0.0421770321 -0.0525741818 0.0239971581 0.1459268785 0.0287023080 -0.0087506935 0.2166620859 -0.0828224879 0.1262692421 -0.1096042210 0.1705390461 -0.1583835307 0.0040658168 -0.0026628972 0.0162661224 -0.0130070267 0.0589040893 -0.0523202107 0.0381745170 -0.0070445400 -0.0687237682 0.0248684822 -0.0043682074 0.0196489001 0.0048283344 -0.0026474615 0.0047150834 0.0026342414 0.0084565366 -0.0189943481 -0.0189855298 -0.0063568550 0.0225577746 -0.0150666435 0.0029912778 0.0031214025 -0.0082601575 0.0057623396 -0.0101726704 -0.0409632310 -0.0097707662 -0.0025400890 -0.0045339527 -0.0073831484 0.0043405376 0.0129359218 -0.0063060668 -0.0011667259 0.0252233573 0.0147401328 -0.0289721756 0.0100899466 0.0048444942 0.0307019178 -0.0077564341 -0.0023500695 0.0092309406 0.0025209879 0.0018983816 -0.0018178890 0.0001784918 0.0065660446 0.0145162110 0.0167016083 -0.0005097550 -0.0269532132 -0.0706326405 -0.0408486660 -0.0491894275 0.0320312572 0.0370528753 0.0927257113 -0.0762786653 -0.0044184961 -0.0174920405 -0.0115440915 0.0037623741 0.0376683480 -0.0431218174 -0.0177011679 0.0362609870 -0.0125401169 -0.0137294121 0.0147104185 0.0066058076 -0.0158654879 -0.0390183267 0.0467641164 0.0234821242 0.0202501234 0.0698384619 -0.1120563715 -0.0530813837 -0.0243940519 0.0236494262 0.0059125916 0.0465260489 0.0613746947 0.0798521950 0.1701241232 -0.1319981023 0.0495618569 -0.0955108786 0.1962247363 -0.1087491390 -0.0067268034 -0.1008239170 -0.0164031141 -0.4647001539 -0.1349093735 -0.0861812680 0.1169915200 0.0902829101 0.1645447581 0.0144033009 0.0787732509 0.0117336445 0.0265100236 -0.0504969362 0.1476957519 0.1650204790 0.0614838741 -0.1713818761 -0.0113735904 -0.0493382994 -0.0482851916 -0.0227850989 0.0610456604 0.0067395240 -0.2244496348 -0.1103430294 -0.0550282517 0.0107239209 0.0223706688 0.0262697807 -0.1085810594 0.0625221417 -0.0755501498 -0.0018094580 -0.0766071698 -0.0252368550 0.0823291213 -0.1048623906 0.0105404828 -0.0067873301 0.0016965293 0.0646204692 -0.0256064212 0.0051737980 -0.1124477411 0.2716801994 -0.3252084784 -0.1751172236 0.0021289048 0.0103394511 0.0113001016 0.0224553748 -0.0061201139 0.0134521638 0.0154393318 0.0304559470 -0.0886807186 -0.0707509854 -0.0262975078 0.0718493433 -0.0618023004 0.0088331174 0.0178744516 -0.0380574601 0.0118579071 -0.0328318652 -0.1310733561 -0.0277267213 -0.0049698024 -0.0529649597 -0.0241164819 0.0163644542 0.0494701229 -0.0071673640 0.0097938452 0.0598499381 0.0278289681 -0.0323926484 0.0460160870 0.0077803675 0.0504690099 -0.0258494799 -0.0076470121 0.0155912136 0.0039457800 0.0050883657 -0.0063363917 0.0678793174 0.0904856605 0.0400506558 -0.0052382452 0.0046488265 0.0106490525 0.0332871099 0.0101814676 0.0318519687 -0.0064150376 -0.0223231751 -0.0312254793 0.0193961557 -0.0016067550 -0.0005301509 0.0011307503 -0.0097115206 -0.0129916296 0.0316468406 0.0144841183 -0.0166120311 -0.0284453786 -0.0023064312 0.0017257658 -0.0010874962 0.0133498111 0.0109516339 -0.0066284734 0.0049617807 0.0001899085 -0.0137853825 0.0218248017 0.0152220370 -0.0156819056 0.0017644143 -0.0003397024 -0.0079677919 -0.0082257975 -0.0267181408 -0.0427166667 0.0540763638 -0.0139547123 -0.0294865829 -0.0317078057 -0.0007633007 0.0007956965 0.0206068393 0.0164654523 0.0925042337 0.0249252619 0.0332382271 -0.0321393132 -0.0244801979 -0.0226659689 -0.0019314452 -0.0145314878 -0.0135535331 0.0071834272 0.0195872005 -0.0451817553 -0.0154856149 -0.0004123844 0.0196291759 -0.0028627796 0.0081474401 0.0168945030 -0.0067015032 -0.0313567766 -0.0074670090 0.0555279586 0.0350697637 0.0064916781 0.0019135824 -0.0029718986 -0.0095698824 0.0196161394 -0.0230031476 0.0243194462 -0.0175200804 0.0288725517 -0.0034538463 -0.0128806352 0.0133121424 0.0129410752 0.0038969034 -0.0003887970 0.0006087592 0.0210649171 -0.0060739340 0.0207996629 0.0159447500 -0.0199586259 0.0183029065 0.0037838407 -0.0072791225 -0.0069312090 0.0277299264 -0.0722606493 -0.0099274355 -0.0128567792 0.1573165553 -0.0516710413 -0.1075388769 0.0088631433 0.2806855269 -0.0051191272 0.1105607378 -0.2311945551 -0.0760703299 0.1111242302 -0.0081146888 -0.4121288872 -0.1290082417 -0.0950755756 0.1468206998 -0.0893579857 0.1619142695 0.1149862470 -0.1160940623 -0.0458534890 0.1642042150 0.1968571251 -0.4094943306 0.0727092110 0.0201377480 0.3529474377 -0.0354364105 0.0673500408 0.1079228640 -0.0017293657 -0.0033543063 -0.0395038813 -0.2575929661 -0.1363136609 0.0230263210 0.0398917853 0.0227108044 -0.0399542788 -0.1185724563 -0.0903404938 -0.0231939551 0.0926968360 0.0334792707 0.2029435117 -0.1719623110 -0.0502772697 -0.1018342714 -0.0425715580 -0.0455722667 0.0817589241 -0.0553474122 -0.0003174363 0.0112142934 -0.2207043037 -0.0879772725 0.0515429829 0.0661672703 -0.0260102692 -0.1572057060 0.1897545810 0.1286262505 0.0669778886 0.1720254422 -0.3108644574 -0.1456725100 -0.0304926951 0.0329880602 0.0014765028 -0.0323909831 0.0124288925 -0.1127030783 -0.1050490997 0.2103270817 -0.0489904853 -0.1526828938 -0.0974452952 -0.0159519330 0.0249025373 0.0442071928 0.0681875999 0.1353545850 0.0346472716 0.1030504673 -0.1000950631 -0.0765695518 0.0019894669 -0.0068409681 -0.0173634361 -0.0564797989 0.0401106165 0.0396480836 -0.0989611691 -0.0355393491 0.0028312755 0.0006316632 -0.0184498880 0.0005923922 0.0542500149 -0.0102087911 -0.1221551890 -0.0102305721 0.1307678064 0.0897198574 0.0025123002 0.0166728626 0.0063515665 -0.0307270056 0.0099848186 -0.0654319879 0.0622191755 -0.0962549850 0.0920236290 -0.0416100826 -0.0045344395 -0.0058196233 0.0695537417 0.0005884116 0.0006801099 0.0109528687 0.0424358416 -0.0731918716 0.0437267907 0.3252990742 -0.4216714432 -0.0185857008 -0.0479247873 0.0728485467 0.0951373907 -0.0017890010 0.0056992875 0.0010407965 0.0011099421 -0.0101196343 0.0032084493 0.0067083069 -0.0002869730 -0.0191879443 -0.0016753945 -0.0086996532 0.0194246338 0.0040368888 -0.0070380306 -0.0011099449 0.0129635836 0.0047983718 0.0121293338 -0.0061911385 0.0075403020 -0.0152762508 -0.0045100751 0.0089378805 0.0039914323 -0.0124159873 -0.0164981919 0.0345636373 0.0005323827 0.0017028210 -0.0228442155 -0.0004529347 -0.0064155448 -0.0080846418 0.0003420303 0.0003284979 0.0028851868 0.0457253646 0.0431847800 -0.0012995768 0.0088161102 0.0746009499 -0.0340966593 -0.0208355305 -0.0683333292 0.1373985555 0.1073607624 -0.0928435140 0.1444552967 -0.1816443719 -0.1474911838 -0.2965793297 0.0088422550 -0.1137839553 0.0753228095 0.0502602979 0.0992047735 -0.1512066513 -0.2583071005 -0.0415446362 0.2150071448 -0.0083997249 0.1041845489 -0.0942120314 0.0460090658 0.3047161640 0.2127570263 -0.0476541299 -0.2250543006 0.0038685568 0.0597315798 -0.0816527398 0.0058751276 0.0037154139 0.0067581932 0.0599588143 -0.0422176130 -0.0857130786 -0.0165334675 0.0310021484 0.0897441717 -0.0239658591 -0.0096418641 -0.0230781778 -0.0399747183 -0.0220065643 0.0115661989 -0.0768843124 0.0558213614 0.0477283076 0.0047818020 0.0003079582 0.0151231366 0.0362231555 -0.0067747185 -0.0190109789 0.0689388907 0.0145857370 -0.0068437048 -0.0091564963 0.0133173477 -0.0070299025 -0.0334085865 -0.0073593589 0.0757969569 0.0017046008 -0.0666932649 -0.0660244370 0.0078010468 -0.0099573740 0.0012824275 0.0205366993 -0.0205511966 0.0482697746 -0.0460473525 0.0508031006 -0.0593264462 0.0196961845 0.0105149602 -0.0058883373 -0.0408198146 -0.0054852384 0.0159058862 -0.0664874665 -0.0003733106 0.0067682118 0.0149604721 -0.3422356972 0.4234548247 0.0949489869 -0.0025989825 -0.0207177725 0.0433110619 -0.0007131000 -0.0049527779 -0.0027703364 -0.0030563223 0.0095426269 0.0085757080 0.0015642778 0.0051999027 0.0139613333 0.0062890516 0.0057685037 -0.0177819021 -0.0002185877 0.0073813332 0.0035464811 -0.0114189786 -0.0053223382 -0.0081027232 0.0126843224 -0.0048822703 0.0146562945 0.0026875449 -0.0086000290 -0.0036283238 -0.0137377669 0.0105808833 -0.0197725874 -0.0019624541 -0.0057588854 0.0107989088 0.0026330797 0.0108734507 0.0050478568 -0.0001515998 -0.0021499785 -0.0019023829 -0.0521078810 -0.0426715689 -0.0138037058 -0.0235467513 0.0849070328 -0.0069444086 0.0829011102 -0.0178234766 0.2235939545 0.0725653492 -0.1667327756 0.0202228765 -0.0752832584 -0.1413267397 -0.2940367847 0.0327085596 -0.1108228801 0.0164917007 0.0973874511 0.1163425084 -0.2084334000 -0.0382617564 0.0625781067 0.2631943859 -0.1015707583 0.1668051080 0.0756347775 0.0526605304 0.1360041697 0.0470009310 -0.1562281835 -0.0618495514 0.1356758208 -0.1067400315 0.1542253195 -0.0355304557 0.0108628082 -0.0334855174 -0.0448731521 0.1411590228 0.0291940374 0.0668932188 0.0680446569 -0.1409394580 0.0811454801 -0.0049636906 0.0267101767 0.0381762054 -0.0308015047 -0.0510680068 0.1086273897 -0.0127857675 -0.0349416370 -0.0474079905 0.0099432691 -0.0306686750 -0.0388734694 -0.0179598161 0.0242641229 -0.1056422990 0.0002546853 0.0195440154 0.0401783296 -0.0164718398 0.0217778526 0.0384314513 0.0169421580 -0.0852314515 -0.0037423307 0.0571722113 0.0951950227 -0.0221579746 0.0084387914 -0.0118615763 -0.0264974831 0.0541864794 -0.0691191964 0.0673406103 -0.0405843476 0.0733495123 -0.0091945508 -0.0304395436 0.0283461166 0.0406943512 0.0114133607 -0.0197481777 0.0453743496 -0.0260064321 0.0511966162 -0.0253435124 0.2907364608 -0.3643677683 -0.1122714210 0.1190021792 -0.1833551769 -0.0566773488 0.0040075171 0.0173576617 0.0070078454 0.0112560789 -0.0298995758 -0.0274651110 -0.0094494109 -0.0119532386 -0.0335563198 -0.0245187135 -0.0257826446 0.0697666926 0.0000156421 -0.0253583649 -0.0145009991 0.0176995596 0.0082775186 0.0307485114 -0.0561905037 0.0228632723 -0.0561730318 -0.0029664685 0.0195667385 0.0109913014 0.0881260971 -0.0051061937 0.0128185205 -0.0072600708 0.0035026903 -0.0213135619 -0.0131689221 -0.0297003207 -0.0042533975 -0.0002839027 0.0090446951 -0.0016730497 0.1155082562 0.0867541910 0.0594966680 0.0003727265 -0.0032208917 -0.0002272337 -0.0030205519 0.0019333245 -0.0094688705 -0.0039303957 0.0069574345 -0.0014044641 0.0007818008 0.0029267192 0.0071468052 0.0016318655 0.0043060088 0.0009424659 -0.0072007143 -0.0036872614 0.0039788796 -0.0082305922 -0.0054450368 -0.0108796529 0.0053514872 -0.0044452208 -0.0072914985 -0.0290777896 0.0160571369 0.0235894803 -0.0019777113 0.0063725555 -0.0032594140 0.0275470750 -0.0396441045 0.0034402776 0.0296746479 0.0202456518 0.0393529706 0.0380087514 -0.0325759783 0.0161236022 -0.2457987000 0.1130419321 -0.1250545387 -0.0072289909 0.0047354534 0.0136935349 -0.3475762135 -0.1901876922 0.1254419882 0.2792961422 0.1240572737 -0.0950348038 0.0253530362 -0.0858380528 -0.0412303425 -0.3862990608 -0.1323107181 -0.1235171698 0.2668985698 0.1803114392 0.0605946324 -0.0069551178 0.1024250274 0.0830898007 0.0067394747 -0.1185320534 -0.0330885060 -0.0398146431 0.2647434571 -0.1221163831 -0.0048732217 -0.0647927059 -0.0653565586 0.2260020235 -0.1707639083 0.1690593579 0.0127086371 0.1779002209 0.0532645406 -0.1457579526 0.1347573208 0.0674214908 -0.0051194833 0.0057226160 -0.0034741431 -0.0134981774 0.0043519713 -0.0233647685 -0.0697034391 0.0701050047 -0.0119672862 -0.0091668283 0.0122522583 0.0017033929 0.0000261516 -0.0004167245 0.0000890936 -0.0001251096 0.0008887590 -0.0000128890 0.0003143879 -0.0001786340 0.0002375812 0.0002599420 0.0008968264 -0.0017341295 0.0001558633 0.0005299671 0.0004442920 0.0032875626 0.0013022469 -0.0015609228 0.0036784570 -0.0009561550 0.0011324562 -0.0017587645 -0.0000317532 0.0012223539 -0.0046761515 -0.0004476622 0.0021787159 0.0008666691 -0.0009648740 -0.0050843850 0.0008715580 0.0013607746 -0.0016737837 0.0005718130 -0.0007561480 0.0009567654 -0.0027559849 0.0001090550 -0.0103431467 -0.0019892057 0.0021632198 -0.0003234711 0.0033806743 0.0079089504 -0.0009745850 -0.0016011056 0.0024488445 0.0027442105 -0.0031361786 -0.0128347279 -0.0211681187 0.0056359178 0.0009113853 0.0028243947 -0.0303941403 -0.0089510811 -0.0153264534 0.0117591539 0.0050990245 0.0082327360 -0.0002918832 0.0002159187 -0.0021525616 -0.0335206015 0.0182783129 0.0265652577 -0.0209396300 0.0098919318 0.0084790130 0.0247874648 -0.0357185410 0.0072425326 -0.0327316282 -0.0293958234 0.0094694931 0.4384762220 -0.1752131153 0.2098654741 -0.1732789216 0.0008722539 -0.0593700534 0.0441792931 0.0480914021 0.0191780057 -0.1289961951 -0.0883298967 0.1182143375 -0.3321816185 -0.1707459511 0.0654362852 0.0278250623 0.0325614164 -0.0357058720 0.0353598348 -0.0047424558 0.0119580529 -0.2785099243 -0.1384403250 0.0652325636 -0.0356460167 -0.0323133577 0.0304047697 0.1430744216 -0.1327719778 0.0785294926 -0.0512664205 0.0332426102 -0.0568478939 0.0328450037 0.0160656884 -0.0259446429 -0.0458674848 -0.0603867287 0.0431615284 -0.1258149456 0.0702509983 -0.0723665879 0.0284029823 -0.0267902171 0.0655981418 -0.0036356572 0.0055325944 -0.0096210629 -0.0093720958 0.0398304396 -0.0309366177 -0.0264518964 0.0834862976 -0.0211543823 -0.0019279073 0.0005342826 -0.0018302796 0.0140439821 -0.0551850023 -0.0052970452 -0.0137239960 0.1103198983 -0.0060435300 -0.0219978714 0.0133471334 0.1589153129 0.0010630860 0.0613056282 -0.1482534175 -0.0132381025 0.0560068231 0.0128429304 0.1449810935 0.0367722597 -0.2167322511 -0.0396345529 -0.0640585946 0.1749231387 -0.0244172886 -0.0019368080 0.0114733703 -0.1725990089 -0.0640362120 0.1283663241 0.1904789873 0.0749419621 -0.1388148235 0.0098143305 -0.0085192448 -0.0251151168 0.0049697134 -0.0044927440 0.0119487156 0.0188863499 0.0038762754 -0.0355706692 0.0021002564 -0.0059955061 -0.0004919536 -0.0078849798 -0.0069706680 -0.0090904898 -0.0038403639 0.0028878262 -0.0096601228 0.0019883872 0.0172873919 0.0305379260 -0.0008254922 0.0045191535 -0.0006664097 0.0274964289 0.0080927411 0.0202893215 -0.0303519600 -0.0131143012 -0.0210042609 0.0034242023 0.0012002227 -0.0043394692 -0.0255956991 0.0199451081 0.0244738756 -0.0081415485 0.0096488735 0.0019257572 0.0148441703 -0.0327978133 0.0030486296 -0.0158072784 -0.0172345697 0.0109181705 0.2569317645 -0.1125831309 0.1216968206 -0.1465630142 0.0109408026 -0.0500309467 0.0280469462 0.0314284082 0.0094172769 -0.0748461995 -0.0526319194 0.0714420245 -0.2257016020 -0.1134654337 0.0437083268 0.0178021902 0.0221553590 -0.0211096790 0.0174508965 -0.0063766263 0.0132253999 -0.1803142980 -0.0907333032 0.0410798890 -0.0220724202 -0.0208644870 0.0183467411 0.0896520359 -0.0814839663 0.0498840735 -0.0342728244 0.0191743782 -0.0359226740 0.0207522668 0.0101441118 -0.0156181710 -0.0304242367 -0.0365540014 0.0255088704 -0.0790050967 0.0428147656 -0.0454495831 0.0181885061 -0.0162477085 0.0394660911 -0.0018239320 0.0056184474 -0.0031834289 0.0012362153 0.0187491067 -0.0195050470 -0.0370883288 0.0876655483 -0.0039260590 -0.0053077823 0.0057269754 -0.0000618665 -0.0224865401 0.0851702818 0.0095534807 0.0207638461 -0.1700730488 0.0077046884 0.0371573864 -0.0204472754 -0.2483583008 0.0024241069 -0.0923775711 0.2256655371 0.0242576012 -0.0832731299 -0.0175273877 -0.2236615109 -0.0564383147 0.3355612049 0.0992159658 0.1013991369 -0.2790310226 0.0206162732 -0.0053773790 -0.0152962306 0.2688584114 0.0943311740 -0.2096220684 -0.2757697757 -0.1027029833 0.2139713040 -0.0065685423 0.0275886539 0.0350891449 -0.0020712497 -0.0001353956 -0.0127141463 -0.0883608302 -0.0415482891 -0.0033490368 -0.0286014481 0.0891280268 0.0145609394 0.0386384606 0.0225046043 0.1771648699 0.0485146596 -0.1755424981 -0.0431149358 -0.0267350963 -0.1396753555 -0.2935706370 0.0227624375 -0.0323262387 -0.0019159152 -0.4996664036 -0.1424750943 -0.3223882816 0.5121870520 0.1951677209 0.2521156409 0.0050033643 -0.0744281697 0.0116726409 0.1236480094 -0.1606916851 -0.1275315113 0.0391404349 0.0261069904 -0.0273549210 0.0080334560 -0.0111043219 -0.0021238724 0.0017976185 0.0009441769 0.0018992443 -0.0114963381 0.0017510744 -0.0059992152 -0.0208108518 0.0086420362 -0.0109043934 0.0025507587 -0.0007318786 -0.0011895881 0.0080891146 0.0053681861 -0.0060494107 -0.0207608361 -0.0085762337 0.0099933249 -0.0007942747 0.0026782395 0.0001273169 -0.0119296253 -0.0094312369 0.0097603451 0.0038909939 0.0021829817 -0.0056947738 0.0005101436 0.0000351672 0.0009902007 -0.0012538235 -0.0001780343 0.0000721146 -0.0051016856 0.0021574281 -0.0035410007 0.0003629094 -0.0004263654 -0.0004089204 0.0002494432 -0.0006696639 0.0000776190 -0.0013281683 0.0021330522 -0.0000067647 -0.0009564422 0.0014319056 0.0000828786 -0.0003121618 -0.0002002505 0.0105804076 0.0001052821 -0.0066310079 -0.0011108095 0.0031795680 0.0073197743 0.0036315032 -0.0199371601 0.0465573092 -0.0027294698 -0.0028060628 0.0056615070 0.0003602322 0.0002376370 -0.0118823916 0.0045810661 0.0043890225 -0.0016358940 -0.0206621927 0.0024658908 -0.0040194735 0.0108977214 0.0022646675 -0.0030036150 -0.0000787279 -0.0301741178 -0.0064312878 0.0326464467 0.0214062349 0.0039688184 -0.0156698182 0.0038803366 -0.0028169653 -0.0035496867 -0.0074811290 0.0007024010 -0.0059283333 -0.0199080323 -0.0067558142 0.0250778414 -0.0001769486 0.0083386386 0.0011804741 0.0012232017 -0.0026062847 0.0005321175 -0.0237949882 -0.0119348939 -0.0137907367 -0.0016446979 0.0005327683 0.0009756367 0.0018976398 0.0045296687 -0.0006589387 -0.0030612620 -0.0011319107 -0.0059900025 0.0009696065 -0.0040559907 -0.0063943656 0.0042819394 0.0025100304 0.0006951254 -0.0232712942 -0.0067567724 -0.0111673073 0.0045427213 0.0006380504 -0.0018324783 0.0005522470 -0.0009381155 -0.0022835819 -0.0329723571 0.0140564344 0.0225084310 -0.0012650497 0.0013253140 -0.0011237806 0.0129137422 -0.0231146180 0.0011751333 0.0186420868 -0.0083011170 -0.0012627208 0.2366326838 -0.0328426003 0.1138123587 -0.3017881968 0.0349432056 -0.1165475506 -0.0183699743 0.0431856331 0.0510684093 -0.1103637060 -0.0960685018 0.1674371310 0.1139787031 0.0336662792 -0.1084337844 -0.0124035780 -0.0672721007 -0.0340015044 0.2139588500 0.1823791427 -0.2296011803 0.0544685265 0.0297998291 0.0253720011 0.0113033024 0.0014897099 -0.0397848895 -0.3474137049 0.1293230369 -0.1784478179 0.4680976759 -0.1206270573 0.2709109953 -0.0333238784 0.0197696610 0.0644519063 -0.0500944091 0.1404259552 -0.1021706355 0.1192925132 -0.1758153514 0.0466396101 0.0521891053 -0.0499210431 -0.1013812781 -0.0027149277 0.0036124591 -0.0002151924 -0.0109346529 0.0177430461 -0.0204677889 0.0025514656 0.0088205656 -0.0222725730 -0.0010806445 0.0013431194 -0.0002415575 0.0060499035 0.0029462398 0.0048469398 0.0069738415 0.0000762794 -0.0305138393 -0.0076865046 -0.0107991131 -0.0088743315 -0.0110599947 0.0049171492 0.0058585888 -0.0108137468 -0.0033674947 0.0014130623 0.0270316979 0.0092774763 -0.0178037341 0.0487005127 0.0124505630 -0.0393820857 -0.0154121595 -0.0036403083 0.0094683377 0.0551088157 0.0125722636 -0.0317670481 0.0497446267 0.0205638444 -0.0311752212 0.0041186299 0.0035455337 -0.0021193281 0.0025737461 -0.0031363295 0.0023578710 -0.0114777157 0.0069247748 -0.0440860755 0.0012766906 0.0003122388 -0.0006672396 -0.0065051895 -0.0059360707 0.0025108779 0.0020699850 -0.0059607708 -0.0047990451 -0.0031208031 0.0040013204 0.0053919631 -0.0005866839 -0.0004780409 -0.0001351418 0.0088745175 -0.0008189080 0.0091624454 -0.0054608525 0.0016064198 0.0032154824 0.0007668221 0.0017922678 0.0007190197 0.0009608011 0.0027240540 0.0018512824 -0.0189694073 0.0092214827 0.0102357498 0.0055281809 0.0003707243 0.0036630641 -0.0004589663 -0.0004038448 0.0008401589 0.0292926354 -0.0034876584 0.0175244284 -0.0145233671 0.0037039096 -0.0072160135 0.0021732352 0.0114307833 0.0046381903 -0.0741167449 -0.0416106134 0.0393307984 0.0263403008 0.0067521340 -0.0294215168 0.0033366407 -0.0112556274 -0.0070555352 0.0391090709 0.0311565411 -0.0411165418 -0.0330712861 -0.0172645970 0.0250874477 -0.0010487335 -0.0019549058 -0.0042896198 -0.0413218371 0.0077068464 -0.0223864301 0.0702745278 -0.0190888554 0.0410231569 -0.0030828746 0.0044306822 0.0081146124 -0.0111837220 0.0174490941 -0.0125508875 0.0098697579 -0.0229015627 0.0018185678 0.0101125352 -0.0103015724 -0.0103546663 -0.0006848660 0.0001146545 -0.0043806750 -0.0060962982 0.0050175331 -0.0028482387 0.0153681495 -0.0087871854 -0.0046292693 0.0006227987 -0.0027334280 -0.0015708253 -0.0528185699 -0.0160472873 -0.0358466316 -0.0567395900 -0.0128067529 0.2528168252 0.0694181028 0.0904104891 0.0549557214 0.0906113818 -0.0532300648 -0.0180230313 0.1050014486 0.0300280103 -0.0187167643 -0.2732347703 -0.0845120453 0.1960917202 -0.3391451788 -0.0945047033 0.2938886221 0.0866927637 0.0228702307 -0.0617541497 -0.4451427552 -0.1329969896 0.2808235652 -0.3408380920 -0.1287445066 0.2196209362 -0.0305362419 -0.0180479186 0.0022956796 -0.0051651877 0.0116591112 -0.0046462951 0.0625257796 -0.0094194633 0.1855076769 -0.0023218560 0.0003079874 0.0025099857 0.0052819591 0.0063099495 0.0006375203 -0.0018372962 -0.0039999727 -0.0047219444 0.0100548360 -0.0026133360 -0.0034422000 0.0018992729 0.0017228160 -0.0031650845 -0.0153065629 -0.0052341012 -0.0106925594 0.0092440321 0.0019840803 -0.0043910902 -0.0045372511 -0.0020834208 0.0009681056 -0.0086944589 -0.0081064303 -0.0063353774 0.0603707737 -0.0314266978 -0.0300317702 -0.0095583355 0.0167408032 -0.0087328308 0.0245271101 0.0055342187 0.0359669389 -0.3459677264 0.0906947393 -0.1386729996 0.0342308294 0.0848611417 -0.0431353062 -0.0172376963 0.0536422741 -0.0292413237 -0.3370798439 -0.1809418972 0.1282570701 0.2513153741 0.1089448207 -0.2373556711 0.0396373702 -0.0269324809 0.0115972811 0.2665837265 0.1616094642 -0.1125479848 -0.4191416768 -0.2251618874 0.2481315572 -0.0181968608 -0.0263698393 -0.0104229948 0.1986110197 -0.0757550754 0.0899348877 -0.0611725474 -0.0525098196 -0.0029571540 0.0142419452 0.0184515684 -0.0115004605 -0.0405285780 -0.0245714912 0.0198500928 -0.0526977635 0.0098178881 -0.0463606770 0.0301468790 -0.0422657817 0.0440766050 -0.0000725903 -0.0020611107 0.0107327004 0.0064975680 -0.0279235423 0.0017940642 -0.0133570545 0.0262364364 0.0127178270 0.0012417960 0.0016712771 0.0038311596 0.0059557862 -0.0076361968 0.0009294547 0.0035800829 0.0067584151 -0.0176820447 -0.0133293907 -0.0083598698 0.0206700647 -0.0037736471 0.0111400300 -0.0222455671 -0.0099277942 -0.0116804714 0.0010274439 0.1290551187 0.0339911745 -0.0693028091 -0.0846911961 -0.0127989649 0.0281204980 0.0008731590 0.0128865700 0.0023112803 0.1174856071 0.0379041086 -0.0606570583 -0.0758782900 -0.0288724141 0.0178440162 0.0005219333 0.0014787545 0.0060560134 -0.0030953354 0.0022916165 -0.0035461354 0.0025890172 -0.0047273500 0.0242674268 0.0103511818 0.0034787182 -0.0101285642 -0.0144041794 -0.0314577190 0.0153247787 0.0198644379 0.0073038828 0.0388297700 -0.0332809926 0.0129119562 0.0127530637 -0.0216907291 -0.0165144748 0.0045514314 0.0944055862 0.0319684381 0.0459910604 0.0101249747 0.0098501453 0.0390198524 0.0126275694 0.0002490461 0.0055303915 0.1523294475 -0.0403977329 -0.0709906022 -0.1504765200 0.0925495159 0.0785824890 0.0041143337 0.0028489487 0.0045573179 -0.0031132961 0.0036210721 0.0030079937 -0.0463752783 0.0279903232 -0.0105632521 0.0607802445 0.0198196289 0.0006310963 -0.0081307049 0.0082816097 -0.0041206713 -0.0827045619 -0.0429662638 0.0293771493 0.1076214762 0.0482308777 -0.0642962443 0.0066165697 -0.0098848201 0.0052721179 0.0865934166 0.0524853357 -0.0351310997 -0.0887845774 -0.0472867809 0.0600279385 -0.0047235959 -0.0056872587 -0.0038636461 0.0706455906 -0.0197474524 0.0322589804 -0.0277680458 -0.0123764351 -0.0062510341 0.0032362410 0.0046877068 -0.0051352096 -0.0053800399 -0.0106523332 0.0101761404 -0.0099832452 0.0049692086 -0.0111236717 0.0073610650 -0.0144082629 0.0171093009 -0.0003067743 -0.0020132648 -0.0004983918 -0.0026997125 -0.0003615130 0.0014948157 0.0084341402 -0.0145935825 -0.0015456908 -0.0070686901 0.0056050310 -0.0136636812 -0.0067428050 0.0327606505 0.0053485117 0.0026471979 -0.0168133213 -0.0055509910 0.0316922041 0.0049295789 -0.0973823792 -0.0139719727 -0.0222098825 0.0821545671 -0.0009611066 0.0371173592 0.0062371983 -0.4193488004 -0.1083071034 0.2013966331 0.4302963851 0.0789855324 -0.1946810779 -0.0058292564 -0.0535553548 0.0026020847 -0.3808811469 -0.0951345654 0.1628946433 0.3745572331 0.1248388475 -0.1425014521 -0.0001398170 -0.0105592813 -0.0199896158 0.0073190652 -0.0053567900 0.0096249940 0.0203307488 0.0294137320 -0.0593050285 0.0294196693 0.0100891480 -0.0289970873 -0.0463747901 -0.0703365695 0.0133286412 0.0644537571 0.0306974867 0.1447450136 -0.0786569945 0.0098250848 -0.0038032551 -0.0630723268 -0.0503051918 0.0188072412 0.2652269462 0.0862709142 0.1354071017 0.0271488778 0.0309480273 0.1283496742 0.0379180805 -0.0082903315 0.0130938954 0.5308841279 -0.1450249090 -0.2455704666 -0.4674523939 0.2885531182 0.2375897593 0.0073008730 -0.0097556215 0.0016284756 0.0029509400 -0.0001085493 0.0061236383 -0.0109988584 -0.0089667301 -0.0067184865 -0.0358918119 0.0112393852 -0.0151373664 0.0062940763 0.0030293383 -0.0013644009 -0.0158988195 -0.0071080677 0.0032724797 -0.0375662131 -0.0186458825 0.0094233534 0.0019932444 0.0016851478 -0.0042696843 -0.0236886812 -0.0141643292 0.0043677552 -0.0020191024 -0.0007467711 -0.0032558155 0.0012658705 0.0002471616 0.0012889073 -0.0367321048 0.0044832093 -0.0182015088 0.0249065208 -0.0018365538 0.0122207193 -0.0011488294 -0.0002102499 0.0037258537 -0.0036588455 0.0082399945 -0.0077770759 0.0018575967 -0.0060488857 0.0024686690 0.0001540459 0.0033012487 -0.0086021410 0.0005830653 -0.0024952070 0.0148099835 0.0017666799 -0.0046702186 -0.0048100628 -0.0114846255 0.0173588152 -0.0005293265 -0.0287906829 0.0317235199 -0.0419517618 0.0030710986 -0.0121094194 -0.0010385026 -0.0005778666 0.0087321694 -0.0015256624 -0.0106115789 -0.0027212915 0.0339854634 0.0030795937 0.0094377712 -0.0303083225 -0.0006519946 -0.0123069915 -0.0019806618 0.1553987924 0.0403407359 -0.0774549081 -0.1445455715 -0.0268156988 0.0659404224 -0.0018725659 0.0177759264 0.0014724765 0.1368172944 0.0365710688 -0.0617035077 -0.1185468980 -0.0395521529 0.0388799315 0.0017333488 0.0056079893 0.0066899896 -0.0014446462 0.0004575606 -0.0027445735 -0.0157247682 -0.0088322944 0.0014522106 -0.0008112738 -0.0008948730 0.0002209951 0.0078316448 -0.0010360949 0.0067199347 0.0002058881 0.0002148886 0.0033211182 0.0063864007 0.0069190643 0.0101723537 -0.0029186268 -0.0008472885 -0.0044360882 0.0160592661 0.0079575627 0.0001825909 0.0062415609 0.0002555099 -0.0052270026 -0.0061216970 0.0036990130 0.0042711462 -0.0056090691 -0.0080614527 -0.0125103012 0.0616874188 -0.0339331610 -0.0268486089 -0.0137696737 0.0269372096 -0.0087180256 -0.0086559455 -0.0069010681 0.0343046596 -0.3314067729 -0.0020022576 -0.1504967395 0.1563675531 0.0113164237 0.0427642569 0.0816638043 0.0238845500 -0.0396959038 -0.3226440402 -0.1235047594 0.0085110201 -0.3212101616 -0.1752700329 0.0680335815 0.0546159693 0.0350378066 -0.0517218932 -0.3578903917 -0.2173041683 0.0790075552 -0.1607785780 -0.0893532892 0.0125954055 0.0178065515 -0.0007784807 0.0317890963 -0.4351882846 0.0108429526 -0.2224057737 0.1980141104 -0.0011486511 0.0945863750 -0.0052452266 -0.0112845904 0.0357821538 -0.0510515743 0.0828583294 -0.0967644892 -0.0302398252 -0.0234414959 0.0171524193 -0.0221780437 0.0818175321 -0.0982084026 0.0011358359 -0.0036252556 0.0083854184 0.0121145324 -0.0211148431 0.0042031588 -0.0320423276 0.0416302958 0.0138848408 0.0045869167 -0.0046120013 0.0032178766 0.0022341205 0.0029487278 0.0016159363 0.0026279788 0.0014377248 -0.0121584518 -0.0005856672 -0.0038515105 -0.0101607844 -0.0063480229 0.0021419942 0.0051796732 -0.0073020260 0.0030521017 0.0028438917 -0.0280543467 -0.0077411118 0.0049237078 0.0551532963 0.0124007833 -0.0306326145 0.0024047347 -0.0054763093 0.0006078645 -0.0346765909 -0.0033819022 0.0108974764 0.0498947857 0.0136462923 -0.0240478494 0.0007136637 -0.0060409168 -0.0020475658 -0.0025446564 0.0032171263 -0.0010273470 0.0200557126 -0.0064550290 0.0362879802 0.0005654400 0.0004742988 -0.0081752849 0.0359264521 -0.0165589739 0.0433337489 0.0177722361 0.0079207029 0.0617853821 0.0142649535 0.0319642371 0.0359308126 -0.0282018650 -0.0132031216 -0.0159217534 0.1031943235 0.0480057331 0.0202433094 0.0792324200 0.0233081025 0.0187229635 -0.0096029889 0.0104771947 0.0153331138 0.0070599208 -0.0194708165 -0.0329211153 0.1397682189 -0.0469890309 -0.0566613858 -0.0188680094 0.0351632430 -0.0160182286 0.1305837928 -0.0581963145 0.0572785014 -0.2648904506 0.0375296125 -0.1250086799 -0.6622147148 0.1059003722 -0.3036475594 -0.0521550769 0.0227808420 -0.0015607923 0.3769592441 0.1241955075 -0.0012465615 -0.2113727517 -0.0724338779 0.0128717836 0.0036119656 0.0231347194 0.0066053756 -0.0074271466 -0.0124363779 0.0468922010 -0.0486126896 -0.0263730802 -0.0059793347 0.0151179805 -0.0066944097 0.0049091566 -0.0158179495 0.0235018192 0.0042997556 -0.1022237594 0.0200301682 -0.0664589959 0.0086683300 -0.0122514913 0.0027889400 -0.0234283171 0.0096636466 -0.0347425100 -0.0561563177 0.0338124111 -0.0073971174 -0.0267947031 0.0679845953 -0.0360143781 0.0000889158 -0.0041280937 0.0226586160 0.0011790489 -0.0213127275 -0.0403188401 -0.0694472957 0.1015181733 -0.0266279783 0.0085080124 -0.0080403811 0.0019919706 -0.0003012125 0.0007468089 -0.0028263417 -0.0013751032 0.0031141736 0.0159423702 -0.0014982780 0.0059104699 0.0086802274 -0.0062192703 -0.0083785405 0.0119118093 0.0035760287 0.0068734737 -0.0024256338 -0.0490975272 -0.0144846457 0.0157780691 0.0112140641 0.0028499478 0.0004048681 0.0022545150 -0.0009042142 0.0026130765 -0.0561849930 -0.0126918165 0.0361100682 0.0502933463 0.0124181521 -0.0363041091 -0.0055863940 -0.0186534225 -0.0038769138 -0.0028567533 0.0068602253 -0.0015189601 0.0706136651 0.0302755942 0.0519854881 -0.0040283004 -0.0087650324 0.0345156452 -0.1287252078 0.0612389229 -0.1673340838 -0.0783655030 -0.0265695595 -0.2560119261 -0.0441744158 -0.1060842678 -0.1040587553 0.1164021855 0.0473283010 0.0544895019 -0.3266506909 -0.1620861047 -0.0640490039 -0.3963546250 -0.1178450699 -0.1049351645 -0.0020436264 -0.0122086475 -0.0272900477 0.0970578948 -0.0217822452 -0.0398792557 -0.3815075741 0.0427579719 0.1683081741 -0.0016634688 0.0001528809 0.0082367733 0.0261794146 -0.0088319712 -0.0001157740 -0.0208450686 0.0215706314 -0.0117998020 -0.0865418023 -0.0051460368 -0.0278833579 -0.0236523603 0.0030173081 0.0082317378 0.0725204121 0.0171003958 0.0200896809 0.0388409978 0.0262946890 -0.0187713285 -0.0088119412 0.0120658193 -0.0092921746 0.0816893991 0.0442041662 -0.0183778080 -0.1431315631 -0.0855838595 0.0000313141 0.0739352468 -0.0103487254 0.0332329587 -0.2161232858 0.0222858766 -0.1168584633 -0.2578299469 0.0165359257 -0.1200984919 0.0081359079 -0.0382187994 0.0122116383 -0.0544581190 0.0758327418 -0.1496469421 -0.1257825194 0.1257606009 0.0188078014 -0.0921033526 0.1851553327 -0.0854667450 0.0012044230 -0.0008032332 -0.0042176247 -0.0154296098 0.0151630573 -0.0010556722 0.0511115669 -0.0579733135 -0.0140545596 -0.0015520357 -0.0023503750 -0.0125749355 0.0008742377 0.0015011141 -0.0035252272 0.0008346963 -0.0015166122 0.0121765997 -0.0055165888 0.0045577367 0.0099120697 -0.0050602185 -0.0097390551 0.0133394719 -0.0002403353 -0.0002959841 -0.0006046462 -0.0082416095 0.0018026290 0.0125529017 0.0085250255 -0.0038713998 0.0012070377 -0.0000763135 -0.0008942182 0.0017581471 -0.0040279910 0.0068610010 -0.0060106274 0.0005152193 -0.0047844823 -0.0093856850 -0.0011779159 0.0020474625 -0.0021690178 0.0017880358 -0.0012508716 0.0025736284 -0.0036628002 0.0005344591 -0.0095037721 0.0029957732 0.0062148738 -0.0222601438 0.0800973449 -0.0395071168 0.1063466453 0.0501889416 0.0171646449 0.1628697851 0.0249173457 0.0660962238 0.0634360547 -0.0748192732 -0.0291630192 -0.0335940077 0.1984804124 0.0998088295 0.0401831492 0.2611268528 0.0779066238 0.0698427601 0.0072215214 0.0053109070 0.0136329521 -0.0870439451 0.0287514234 0.0501943434 0.2139948960 -0.0086289234 -0.0952747218 0.0086864694 -0.0157193065 -0.0000476893 -0.0325164336 0.0176588291 -0.0255784209 0.1785559763 -0.0013439597 0.0879835026 0.0989157745 -0.0156786861 0.0450796930 -0.0099581365 -0.0036258244 0.0207191346 -0.0353964923 -0.0115464679 0.0280128591 0.1448646697 0.0639912224 -0.0332602258 -0.0351038571 0.0007489426 -0.0110182654 0.1902293885 0.1112879402 -0.0644783060 -0.1429255826 -0.0889918986 -0.0225192618 0.1157524900 -0.0112063919 0.0485070249 -0.3046351289 0.0302671331 -0.1730265274 -0.3981882485 0.0183220105 -0.1752563474 0.0071686434 -0.0560829424 0.0150842547 -0.0618613524 0.1132814339 -0.2171454193 -0.1670881626 0.1912436670 0.0378309188 -0.1347462010 0.2581837001 -0.1163146802 -0.0011493440 0.0025938202 -0.0040441557 0.0025250686 0.0032100698 0.0067050846 0.0138629793 -0.0084722600 0.0080983508 -0.0009506361 0.0024493507 0.0076659259 -0.0026667442 -0.0016987893 -0.0003790648 -0.0027424948 -0.0017815069 0.0098226114 0.0023950278 0.0040305587 0.0062516565 0.0061473619 -0.0027679432 -0.0015448649 0.0092381034 0.0006783110 -0.0049253222 -0.0021084968 -0.0013612243 0.0048861735 -0.0389775755 -0.0073475447 0.0222313637 -0.0080075195 0.0008994996 0.0029584469 0.0296038724 0.0035718013 -0.0126938610 -0.0043845203 0.0044179552 0.0025602202 -0.0005845059 0.0059309390 0.0049949075 0.0045072192 -0.0056085024 0.0005096041 -0.0316045525 0.0230417576 -0.0758916416 -0.0005426865 -0.0004448520 -0.0027496308 0.0089608302 0.0030279163 0.0028875925 0.0035316115 0.0072828608 0.0211857901 0.0044968929 0.0003280798 -0.0023611948 -0.0044295239 -0.0015430315 0.0009317254 0.0059065691 0.0082153310 -0.0022407787 0.0185847274 0.0013156207 0.0023091667 0.0035547836 -0.0020324674 -0.0009343830 -0.0038327869 0.0072966242 0.0134635030 -0.0118760735 0.0174926924 0.0043796432 0.0039938252 -0.0024604999 0.0100431632 -0.0055298836 -0.0002227403 -0.0049209614 0.0540737302 0.0004134710 0.0305015972 -0.0120261845 0.0019788124 -0.0089781667 -0.0001174378 0.0010636222 0.0047887883 0.0061368864 -0.0005639400 0.0086037453 0.0098453130 0.0061754319 0.0023527827 -0.0090803272 -0.0030706523 0.0005841103 0.0355839600 0.0231347107 -0.0133232619 0.0054449409 0.0016180357 -0.0096793510 0.0112907638 -0.0004738359 0.0035014517 -0.0173540106 0.0050245550 -0.0102389991 -0.0412837128 0.0019626829 -0.0184284754 0.0001366237 -0.0049100937 0.0005675805 -0.0020858745 0.0093098110 -0.0176927570 -0.0122976082 0.0180773615 0.0045048128 -0.0115198291 0.0203865546 -0.0087892600 -0.0005525504 0.0003391142 -0.0073908590 0.0023293023 0.0022076828 0.0010612388 -0.0076849761 -0.0024921093 -0.0014996168 -0.0014612608 0.0009128762 -0.0013040726 0.0056732192 -0.0022040904 0.0583911478 0.0109824430 0.0279808907 -0.3014716253 0.0853367330 -0.0992759476 -0.2328546389 0.0485331128 0.1705878143 -0.1858490546 -0.0853339680 -0.0216000895 0.0580892179 0.2049348027 0.0327366496 -0.1759471611 0.2611508958 0.0898735320 -0.2112413240 0.0783230040 0.0115204025 -0.0638172523 -0.1662182339 -0.1220771219 0.1653793897 -0.1584254523 -0.0383006804 0.2105412340 0.0136514319 -0.0250051291 -0.0220090323 -0.0376869362 0.0383184549 -0.0131613685 0.1454483085 -0.2339937998 0.5630912667 0.0030154908 0.0009591651 0.0010279494 -0.0061433260 -0.0040232308 -0.0031282162 -0.0007736600 0.0059973499 -0.0045547469 -0.0143446320 -0.0030760002 -0.0021679760 -0.0045970601 -0.0000266277 -0.0009252738 0.0034212324 -0.0021023422 0.0098310921 0.0088312667 0.0069748103 0.0077941094 0.0090890925 0.0032631655 -0.0026624110 -0.0595967306 0.0140502338 0.0202185017 -0.0357476142 -0.0021667830 0.0227169357 -0.0005128197 -0.0002576527 -0.0032965992 0.0178547162 -0.0020845593 0.0039217744 -0.0412305196 -0.0107081300 -0.0350641269 -0.0252050652 -0.0215137987 0.0154573650 -0.0125031870 -0.0041263069 -0.0020789165 0.0373845988 0.0084979309 -0.0027830256 0.0090762372 0.0102460308 0.0008784157 0.0166111796 0.0080119376 -0.0035360495 -0.0510525918 -0.0301716889 0.0150507087 -0.0340505914 -0.0200970999 0.0140653488 -0.0095451926 -0.0012733936 -0.0012928364 -0.0032701085 -0.0013317383 0.0022910026 0.0366471670 0.0022969156 0.0115037771 0.0040518681 0.0002673187 0.0025189446 -0.0175467279 -0.0010831032 -0.0036245692 -0.0109187361 -0.0052297398 -0.0066222578 0.0001300853 0.0079914566 -0.0003954814 0.0005430516 0.0001554681 -0.0008787814 -0.0160931969 0.0121107179 -0.0013411615 0.0468216797 -0.0370286600 -0.0073866853 0.0031689510 -0.0075783158 0.0006849999 -0.0295468407 -0.0158639588 0.0705416939 -0.0247872522 0.0369971421 -0.3040293197 0.1862265675 -0.0533572536 -0.2483991998 0.1485813630 0.1723417269 -0.2295816102 -0.0099759085 -0.0066858869 0.0198805801 0.0885996172 0.0092534068 -0.0671232663 0.0337683387 0.0281952309 -0.0429992096 0.0370572411 0.0275479831 -0.0393471787 -0.2016501447 -0.0411157498 0.1127815043 -0.1940325346 -0.0667012032 0.0752783265 -0.0464844795 0.0134383300 0.0554429758 0.0455200075 -0.0395708966 0.0071580036 -0.1654104647 0.3226134356 -0.6375662443 -0.0065808743 -0.0035674397 0.0020646380 0.0030728895 0.0103799410 -0.0105760274 -0.0069171407 -0.0144483409 -0.0163393940 0.0259680074 0.0005948061 0.0028650452 0.0236661975 0.0025617497 0.0038367298 -0.0131145972 -0.0139161417 -0.0081900866 -0.1011370859 -0.0278896230 -0.0230566913 -0.0300141367 0.0076545823 0.0098647788 0.1377355319 -0.0545204948 -0.0986666210 0.0769781240 -0.0588587513 -0.0369154785 -0.0083548147 0.0220808027 -0.0188927252 -0.0122458663 -0.0232173361 0.0213469435 -0.1176840468 0.0332053003 -0.0101975331 0.0090974501 0.0705306579 -0.0768858958 0.1112206883 0.0544188770 -0.0099808785 -0.2906540162 -0.0230640891 -0.0326183844 -0.3417377616 -0.2471632800 -0.0393159441 -0.1329472780 -0.0515000514 0.0253886348 0.3738355248 0.1678678664 -0.0371524409 0.2570469487 0.1863393627 -0.0783005044 0.0788456488 0.0095904195 0.0141493534 0.0080561709 -0.0076489236 -0.0346533734 -0.2926937242 -0.0282735144 -0.0793005576 -0.0582156697 0.0225287209 -0.0321538290 0.2566534020 -0.0307555811 0.1477626066 0.1939740486 -0.0440550109 0.0537166427 0.0611803125 -0.2004350183 0.0079064500 -0.0006701456 -0.0033452811 0.0183741244 0.0180621794 -0.0246163125 -0.0107182187 -0.0698956059 0.0930684123 0.0079793925 0.0025673678 0.0036551776 0.0003375211 -0.0136181223 -0.0058843897 0.0235814694 -0.0126609328 0.0109520093 -0.0939815772 0.0686808829 -0.0059500801 -0.0686543528 0.0598994219 0.0460707430 -0.0654014737 0.0124800255 0.0045809125 -0.0085039772 -0.0385105112 -0.0156027908 0.0081098094 -0.0374968844 0.0001719586 0.0129680726 -0.0030175016 -0.0000377366 0.0040969725 -0.0124121245 0.0070382479 0.0012513234 0.0118331309 0.0003254966 -0.0197725414 -0.0045814666 -0.0019944544 0.0058560426 0.0043745231 -0.0033232435 0.0002180279 -0.0073800025 0.0438545133 -0.0694501602 -0.0000585895 -0.0007874433 -0.0013193481 0.0130912591 0.0077175257 -0.0030756384 0.0008179367 0.0133863893 0.0194434333 0.0013725153 -0.0024861268 -0.0042749697 -0.0053990238 -0.0011860634 -0.0005713229 0.0079685667 0.0043252082 0.0047942217 0.0173232520 0.0052720835 0.0052120295 0.0053600233 0.0008940177 -0.0008483721 -0.0298570609 0.0082228984 0.0131678789 -0.0152667354 0.0037914684 0.0100211701 -0.0001560752 0.0013818637 0.0022657721 0.0052836246 -0.0049753398 0.0039629712 -0.0257002870 -0.0044984102 -0.0138279746 -0.0094288364 -0.0043841090 -0.0001746768 0.0147115677 0.0082773097 -0.0018779991 -0.0364731163 -0.0029010519 -0.0033600803 -0.0564745423 -0.0383337104 -0.0044086249 -0.0185799631 -0.0060946184 0.0023971781 0.0532187640 0.0208536780 -0.0019033919 0.0287542362 0.0239953414 -0.0085240838 0.0138130252 0.0007631692 0.0036222945 -0.0082218598 -0.0029713182 -0.0107631599 -0.0485383508 -0.0049920029 -0.0129757793 -0.0112138655 0.0051605583 -0.0059844218 0.0471931273 -0.0069237431 0.0302765170 0.0384181713 -0.0119574391 0.0091555864 0.0125679465 -0.0398661334 0.0027272726 -0.0000276280 -0.0001371137 -0.0029074871 -0.0061434939 0.0063739195 -0.0018232679 0.0177361860 -0.0148094366 -0.0053069079 0.0015814958 -0.0038679355 0.0000212709 0.0669410940 0.0272469136 -0.1075204048 0.0618723494 -0.0303498031 0.3931051129 -0.2992153243 0.0200311686 0.2848837093 -0.2810599676 -0.1923265955 0.2800099028 -0.0894367865 -0.0288274258 0.0793253300 0.2680770496 0.0779829975 -0.1150596392 0.2951811241 0.0507510685 -0.1477516515 0.0589771552 0.0254725157 -0.0632250980 -0.2108967821 -0.0803247220 0.1365111551 -0.1970916608 -0.0567573750 0.1280421677 -0.0245475158 -0.0014143267 0.0329269010 0.0174397795 -0.0125276461 -0.0005127696 -0.0605351523 0.1355254614 -0.2334280938 -0.0103721401 -0.0035567237 -0.0040462418 0.0271605185 0.0109751530 0.0072891986 0.0021940909 -0.0157422445 0.0226829921 0.0473522784 0.0135259009 0.0115672432 0.0190653867 0.0009970317 0.0022189602 -0.0068735670 -0.0127267844 -0.0033138286 -0.0788587931 -0.0178648278 -0.0114774882 -0.0278710763 0.0044659261 0.0085241974 0.1310984012 -0.0392711806 -0.0723989574 0.0800008116 -0.0349964978 -0.0433688658 -0.0024749426 0.0092602383 -0.0091323399 -0.0136548047 -0.0064296557 0.0092531546 -0.0400900165 0.0228463662 0.0088217984 0.0386872579 0.0445548795 -0.0347387758 0.0508609706 0.0178087504 -0.0053113806 -0.1505444484 0.0000899009 -0.0408369697 -0.0934997164 -0.0931587112 -0.0411134327 -0.0436914528 -0.0445363067 0.0370403696 0.0705676609 0.0898249050 -0.0694594673 0.2859517075 0.1360543706 -0.0759484599 -0.0709778933 0.0225056969 -0.0471344858 0.2814401572 0.0672246121 0.1725848426 0.1887387993 0.0361621329 0.0425421533 0.0946770562 -0.0686726252 0.0542423899 -0.3067100977 0.0989787661 -0.3068053865 -0.4055741321 0.1811117442 -0.0658775778 -0.1117845584 0.3899948168 -0.1412910088 -0.0006298907 -0.0015302504 0.0092678712 0.0120215754 -0.0158520195 -0.0051142118 -0.0497382203 0.0566593117 0.0065305287 0.0008626956 0.0057728744 0.0000937960 0.0017171050 0.0006581889 -0.0025229664 0.0015917528 0.0008679891 0.0053581310 -0.0048352976 0.0013414408 0.0058230610 -0.0055052744 -0.0041785200 0.0060732995 -0.0039582967 -0.0009635828 0.0047516739 0.0089533568 -0.0004007192 -0.0094648279 0.0137711689 0.0069942065 -0.0113251614 0.0044918179 0.0019879434 -0.0041370142 -0.0247183576 -0.0040073854 0.0124440206 -0.0122783451 -0.0053073915 0.0030883525 -0.0033828248 -0.0012774958 0.0049145547 0.0023759859 -0.0017369645 -0.0003973542 -0.0047053078 0.0261471796 -0.0381581850 0.0716035027 0.0173236621 0.0519931908 -0.2466597126 -0.0428410431 -0.1367928288 -0.0516517873 0.0940483829 -0.2846757988 -0.3326749613 -0.1419602524 -0.1125867547 -0.0808539823 -0.0059746207 -0.0106922339 0.0606717602 0.0824508944 -0.0030370563 0.3046768588 0.0450428583 0.0070621024 0.1072571470 -0.0057266339 -0.0257331708 -0.5119645316 0.0984066815 0.1925539566 -0.2919564798 0.0516225688 0.1821580408 -0.0039027727 0.0000652129 0.0031743559 0.0219264355 -0.0183898488 0.0112236649 -0.1378857426 0.0251146969 -0.0595239695 -0.0079810498 -0.0087525545 -0.0064159259 0.0334756302 0.0191713236 -0.0088784130 -0.0846537803 -0.0035584793 -0.0174506252 -0.1224242786 -0.0858036561 -0.0212143304 -0.0335688471 -0.0187373013 0.0138098484 0.0826178908 0.0426488094 -0.0112682676 0.1034103329 0.0653034540 -0.0202982145 -0.0038755616 0.0065176766 -0.0091972055 0.0735218001 0.0134868608 0.0381784512 -0.0046552252 0.0023632871 -0.0026662265 0.0105860840 -0.0096103092 0.0063520517 -0.0178641819 0.0141277510 -0.0353228893 -0.0557770204 0.0263637758 -0.0083981240 -0.0083319362 0.0438401584 -0.0334857910 0.0006378786 0.0007766319 -0.0077074175 -0.0233224002 0.0263024598 0.0060565798 0.0546313085 -0.0825437397 -0.0144800549 -0.0010247269 -0.0243242572 0.0010197713 -0.0007753045 -0.0006750783 0.0017089038 -0.0013676036 -0.0008777415 0.0076460144 -0.0024721416 -0.0061984987 -0.0066736395 -0.0052615178 0.0056369331 -0.0058512088 0.0041493205 0.0015375425 -0.0089341682 -0.0043401684 0.0133309610 0.0268414596 -0.0102438609 -0.0239692962 0.0288441593 -0.0061402231 -0.0029380132 0.0083342187 0.0319164384 0.0185569934 -0.0287153537 0.0184976516 0.0012070627 -0.0187744937 0.0053590071 0.0018485077 -0.0075435382 -0.0027862462 0.0023923661 0.0013967091 0.0050606607 -0.0388742156 0.0511804792 0.0716094177 0.0085645919 0.0849709562 -0.3180666672 0.0068021999 -0.2480428928 -0.0918386066 0.0698211478 -0.4341623156 -0.3243122534 -0.2069263332 -0.1553796140 -0.0219856771 -0.0204491793 -0.0171726707 0.1798856558 0.1360116126 -0.0560194034 0.0216899918 -0.0652518607 -0.0964668280 -0.0624803705 0.0271973942 0.0416411672 0.2608115204 -0.1283998616 -0.2246791585 0.3220239164 -0.1422472121 -0.1352743832 -0.0030489211 0.0154398117 -0.0207201761 -0.0307395997 0.0152484786 -0.0082258353 0.1414743755 0.0020179362 0.0850223469 0.0216505325 0.0483323465 -0.0317540901 -0.0185307703 -0.0136685610 0.0084212951 0.0455177651 0.0032759959 0.0089017142 0.0872901532 0.0561721940 0.0146137246 0.0178296470 0.0089200381 -0.0063120949 -0.0488971160 -0.0154722824 -0.0046080906 -0.0409839500 -0.0339995227 -0.0019932841 -0.0005624559 -0.0026134946 0.0035465802 -0.0327440887 -0.0044387654 -0.0160087547 0.0105190103 0.0009007869 0.0029326800 -0.0016249393 0.0017548592 -0.0014589791 -0.0077038488 -0.0035063168 0.0037825317 0.0158584941 -0.0044959512 0.0039007363 -0.0036083115 -0.0040784304 0.0174109979 -0.0007705211 -0.0029809994 0.0221891486 0.0371572600 -0.0454556635 -0.0114271759 -0.0993179180 0.1433572145 0.0225544399 0.0011358397 0.0155339360 0.0000206949 0.0018997261 -0.0002026910 -0.0012022391 0.0004855844 0.0074605424 0.0046727600 -0.0015928729 -0.0018990985 -0.0013451275 -0.0117241931 0.0010519630 0.0011192975 -0.0052405996 -0.0010255392 0.0043812518 0.0181556543 0.0070315041 -0.0068289024 0.0224246864 0.0006836149 -0.0073879546 0.0033277666 0.0032039153 -0.0099531336 -0.0126916685 -0.0358663149 0.0395985977 -0.0061853692 0.0159004893 0.0389175920 -0.0036738383 -0.0024789576 0.0052654485 0.0024190004 -0.0007227942 0.0000902742 -0.0010460313 0.0262709263 -0.0317629485 0.0040999958 0.0003739586 0.0064311941 -0.0214917234 0.0044484546 -0.0204103741 -0.0054171618 0.0015191534 -0.0273451709 -0.0149062342 -0.0158729957 -0.0125951153 -0.0006557539 -0.0029538923 -0.0014881162 0.0227914292 0.0203712885 -0.0132395912 0.0011042470 -0.0121090363 -0.0156097097 -0.0156997026 -0.0012459094 0.0057390646 0.0743194065 0.0061500908 0.0073691012 0.0624984133 0.0298818784 -0.0427388794 0.0037757613 -0.0065799214 0.0113070135 0.0213046483 0.0788905713 -0.0066592994 -0.0372631599 -0.5745274758 -0.3731862454 -0.3021698211 -0.4189201860 0.4523648972 0.0095123498 0.0099418418 0.0041925821 -0.0692361092 0.0506949703 -0.0562700126 0.0093065069 -0.0420855593 -0.0978806369 -0.0097320124 -0.0078308305 0.0029388286 0.0628089376 0.0058830420 0.0175617168 0.0034994642 0.0281822089 0.0407007013 0.0017451146 0.0010772452 -0.0032476769 0.0220252362 -0.0032547420 0.0062052626 -0.0183994290 -0.0073858980 -0.0000987580 0.0007559031 -0.0026551225 0.0010973633 0.0086745280 0.0118100829 -0.0149846653 -0.0128950793 0.0177963413 0.0037174844 0.0019490335 0.0002961399 -0.0084453591 0.0004468225 -0.0000461296 -0.0090509091 0.0004726069 0.0059943742 0.0065081475 0.0123112881 -0.0322793849 -0.0012875198 0.0003870153 0.0021907547 -0.0010495961 -0.0004121680 -0.0001514307 0.0001725768 -0.0006863735 0.0020578787 -0.0011109593 0.0028246020 0.0023164496 0.0012220501 0.0010142341 -0.0015116265 0.0015972124 0.0006815495 0.0018842296 -0.0009180991 -0.0113133173 -0.0033988401 0.0022783355 0.0036674893 0.0005720453 -0.0004389535 -0.0019909789 -0.0027247008 -0.0008908295 0.0055139767 -0.0132399229 0.0079041114 0.0230280395 0.0165041383 0.0116107199 0.0008897981 0.0016323731 -0.0030728538 -0.0008127039 0.0004133956 0.0005707176 0.0005148354 -0.0152809046 0.0210962630 0.0059792076 0.0046082709 0.0171867982 -0.0976236290 0.0014454852 -0.0655554354 0.0094649048 -0.0657252251 -0.0556522385 0.0276800960 -0.0330083022 -0.0333522609 -0.0066442475 -0.0034165328 0.0148992895 0.0379857294 0.1424741362 -0.1496341764 0.0749481975 -0.1196008782 -0.1641128480 -0.0554853179 -0.0550158442 -0.0063876846 0.3408760901 0.2810115442 0.4608237690 0.1630981374 0.5536349522 -0.2474624976 0.0128570275 -0.0297258746 0.0231527315 0.0223524818 -0.0260759558 0.0062765598 -0.0926448717 0.0987110024 0.0033798930 0.0409180749 0.0286260323 -0.0480442487 0.0046749207 0.0051849843 -0.0068917305 -0.0004783674 -0.0146664094 0.0107999291 -0.0467262586 -0.0162750887 0.0147534243 -0.0053078220 -0.0019226136 -0.0019021988 0.0214128737 -0.0152208239 0.0226787506 0.0075180994 0.0256456975 0.0235367627 -0.0003143652 -0.0001443630 -0.0001703324 0.0055476245 0.0104004995 0.0086703592 0.0031126196 0.0081432996 -0.0082529324 -0.0003511308 0.0002785718 0.0018195852 0.0164575890 0.0012298593 0.0060481471 -0.0164198089 -0.0062419537 -0.0087819916 0.0094941708 -0.0042892892 -0.0253237778 0.0002679813 0.0055796538 -0.0243066678 -0.0398773379 0.0497225805 0.0117754674 0.0975740168 -0.1318618995 -0.0189255188 0.0076486410 -0.0097665806 -0.0032220888 -0.0005631500 -0.0009572697 0.0002113197 -0.0017570192 0.0080806251 -0.0005010460 0.0076440530 0.0044211665 0.0015037837 -0.0013638334 -0.0027694233 0.0029923695 0.0035017577 0.0000369909 0.0000539928 -0.0111003609 -0.0156567730 -0.0155833137 -0.0211185416 0.0136249104 -0.0094004235 -0.0060816298 0.0003417243 -0.0042629446 0.0466018132 -0.0405476228 0.0258503740 0.0221284114 0.0363338632 0.0476587337 -0.0013197295 0.0021236724 -0.0022380454 0.0022462008 -0.0014162068 0.0020938302 -0.0117724498 -0.0045745330 -0.0117297505 -0.0095924824 -0.0053414047 -0.0160872390 0.0605253044 -0.0359937745 0.0866056851 -0.0124783514 0.0228779012 0.0198022367 -0.0157832095 0.0534026055 0.0637809137 0.0017571726 0.0044081701 0.0387838271 -0.0398549952 0.1547526376 -0.1968757349 0.0910556624 -0.1532201170 -0.1975569153 0.0192918859 0.0029827233 -0.0048330700 -0.0699472764 -0.0311234312 -0.0468878629 -0.1020151040 -0.0546719956 0.0741191705 -0.0062157914 0.0158031144 -0.0117136726 -0.0071372970 0.0047422066 0.0008538066 0.0107966583 -0.0040078016 0.0075019329 -0.0045189265 0.0160496059 -0.0099860254 -0.0015571417 -0.0028105141 0.0065308289 -0.0164869999 0.0360065658 -0.0365574353 0.0182712576 -0.0189654367 -0.0448436955 0.0027539158 0.0014270610 -0.0041924415 0.0091401604 -0.0226947292 0.0247488382 -0.0080132330 0.0171255658 0.0303437329 -0.0015466172 -0.0022084033 0.0001589253 -0.0044101405 0.0157104660 0.0076960883 0.0101565001 0.0121421113 -0.0119510355 -0.0000911817 -0.0001063824 0.0007575997 0.0048883327 0.0015909356 0.0001291493 -0.0056465799 -0.0006962856 -0.0021533268 0.0029550127 -0.0022022879 -0.0069696707 -0.0003383147 -0.0011821302 0.0115771170 0.0158790402 -0.0221788705 -0.0061198780 -0.0405476444 0.0625861439 0.0092986106 -0.0023630625 0.0003564191 -0.0006689959 -0.0024738852 -0.0011853158 -0.0034136447 -0.0002451673 -0.0014156110 0.0104095617 0.0056002940 0.0231369412 0.0370065837 0.0178644497 -0.0270499218 0.0245669674 0.0244379462 0.0028937019 0.0129372863 -0.0889745476 -0.1464007422 -0.1640582172 -0.1492167605 0.1387345169 -0.1068447003 -0.0449275157 0.0060668735 -0.0528674774 0.3346974279 -0.3938343886 0.2863317435 0.1944486132 0.3257935386 0.4256278208 -0.0049277496 -0.0057884310 0.0091200569 0.0018859490 0.0004415306 -0.0022625309 -0.0184598650 0.0338891597 -0.0622781656 -0.0008348995 -0.0001876648 -0.0011823342 0.0015671947 -0.0051291835 0.0075184750 -0.0003887467 -0.0018570391 -0.0000750269 0.0000878068 0.0052333348 0.0061668068 -0.0001676473 0.0006512538 0.0051347137 -0.0048041041 0.0223859449 -0.0282497703 0.0144069586 -0.0219093026 -0.0289970285 0.0005725634 -0.0031604184 -0.0014649080 0.0050057067 0.0130044310 0.0228433788 -0.0091102469 0.0256370212 -0.0020318901 -0.0032307716 0.0038467712 -0.0000582618 0.0002723956 0.0038540415 0.0009993265 -0.0332884399 -0.0487558032 -0.0472687483 -0.0229607004 -0.0341937449 0.0363658326 0.0111051442 0.0132820822 -0.0355243957 0.0831379901 -0.1852937596 0.1848067574 -0.0725014096 0.1126169255 0.2323638459 -0.0000574115 -0.0016487671 0.0603483016 -0.2189808556 0.2864470689 -0.3364657953 0.0615304118 -0.2876739662 -0.4189545120 0.0085200546 0.0354794472 -0.0097351982 0.0728953319 -0.2866216404 -0.1374602350 -0.1319504526 -0.2221365169 0.2328334152 0.0072685937 0.0002308044 -0.0156982071 -0.1433660313 -0.0243754041 -0.0334989732 0.1378086702 0.0364001046 0.0636947559 -0.0740616559 0.0445091074 0.2024518622 0.0004527879 -0.0002288902 0.0006810017 0.0039044783 -0.0026371012 0.0002342818 -0.0023473190 0.0028195774 0.0002765149 0.0004741275 -0.0010848752 -0.0002527958 -0.0003570469 -0.0004104968 -0.0003085466 -0.0008537216 0.0041672139 -0.0005928648 0.0047015053 0.0042829427 0.0034415065 0.0007552676 -0.0037075672 0.0038348218 0.0023018921 0.0003934708 0.0014329810 -0.0107669007 -0.0156574343 -0.0165164950 -0.0146182695 0.0147282437 -0.0116762462 -0.0031016118 0.0006003015 -0.0034622809 0.0217038796 -0.0271571995 0.0206111530 0.0166481523 0.0234888866 0.0270254044 -0.0010952011 -0.0017416661 0.0016139175 0.0003409855 0.0001996823 -0.0004116118 0.0007597305 0.0083280250 -0.0104459490 -0.0000353442 0.0002975981 -0.0000697877 -0.0036684988 -0.0024915825 0.0005570696 0.0012291199 -0.0042426631 -0.0008357027 0.0020478074 0.0013128065 0.0010866757 -0.0001904159 0.0002961671 0.0009166716 -0.0011197475 0.0038175396 -0.0047024670 0.0030882039 -0.0037488261 -0.0053634463 0.0002681285 -0.0010824702 -0.0004883104 0.0010258704 0.0043081855 0.0076501278 -0.0025650953 0.0083394183 -0.0009016299 -0.0013787165 0.0017308041 0.0002825500 -0.0026495477 0.0037182805 0.0013227954 -0.0170667618 -0.0284616398 -0.0240398557 0.0003098732 -0.0174874442 0.0241448117 0.0114841098 0.0102375935 -0.0124008369 -0.0199054307 -0.0670043906 0.0544664937 -0.0251779090 0.0231903602 0.0516343324 -0.0087872441 -0.0077528941 0.0244607850 -0.0366042255 0.1235363433 -0.1323367868 0.0076616968 -0.1172912933 -0.1449715150 0.0208826226 -0.0581193456 0.0129654106 -0.1273320903 0.4645075846 0.2005985591 0.1373679440 0.3102005858 -0.3684173242 0.0086430249 0.0202911993 -0.0226167597 -0.3107090137 -0.2335110060 0.1837598514 0.1770565665 -0.2727845098 -0.0691378787 -0.1512065906 0.1961359553 0.1694317403 0.0002369670 -0.0001681060 0.0001557183 0.0020693513 -0.0015712920 0.0002448793 -0.0010579806 0.0017652562 0.0004803842 0.0001839619 -0.0004230117 -0.0000457259 -0.0006458442 -0.0007954768 -0.0008368198 -0.0022184853 0.0116474448 -0.0071420903 0.0138905726 0.0118613058 0.0081847386 0.0030162577 -0.0098826539 0.0103337803 0.0005673280 -0.0003437708 0.0022895137 -0.0066893744 -0.0134895172 -0.0165311903 -0.0098752822 0.0142426676 -0.0135266391 0.0006117462 -0.0000480381 0.0007416315 -0.0039709850 0.0045342928 -0.0030247009 -0.0008832029 -0.0032300498 -0.0052628400 -0.0001441804 -0.0004113931 0.0005038743 0.0000636021 0.0000710914 -0.0001561692 0.0001865764 0.0019893009 -0.0025072011 0.0060601736 0.0085950993 0.0074865990 -0.1049840521 -0.0225984980 -0.0448372001 0.0323154256 -0.0886744106 -0.0226448257 0.0466547808 -0.0074834437 -0.0193332020 -0.0042119121 0.0026464888 -0.0168064940 0.0086797570 -0.0748979352 0.0985198795 -0.0288115826 0.0761634157 0.0893599077 0.0032173163 -0.0036147796 -0.0017232265 -0.0201421719 0.0162762739 0.0303368095 0.0058563404 0.0209264386 -0.0088431031 -0.0021800115 0.0032718613 0.0016218927 -0.0022911567 0.0016651964 -0.0008426781 0.0129954126 -0.0047115515 0.0049261086 -0.0018779613 0.0003169314 0.0004840283 -0.0009932065 -0.0008579263 0.0011733350 0.0012663458 0.0029268569 -0.0017929756 0.0049955873 0.0011250789 -0.0019691419 0.0004625332 0.0002901504 -0.0017233349 0.0034392191 -0.0071101278 0.0075621848 -0.0007499833 0.0071668471 0.0091913649 -0.0009723828 0.0017757689 -0.0002637138 0.0037474080 -0.0149251921 -0.0063213734 -0.0037212204 -0.0093373918 0.0115695208 -0.0006613331 -0.0009739522 0.0011708553 0.0168391192 0.0114719722 -0.0082973711 -0.0096176536 0.0127334954 0.0027974621 0.0079813600 -0.0101880375 -0.0101628659 0.0001296449 -0.0004227670 -0.0003333591 0.0043711970 -0.0039895394 -0.0013935851 -0.0092117118 0.0089410754 0.0001494914 -0.0000163717 -0.0011140076 0.0006447873 -0.0153233961 -0.0167038938 -0.0197958192 -0.0477312757 0.2491300700 -0.1730991461 0.3105708959 0.2748997880 0.1989198242 0.0876951255 -0.2330193526 0.2408193645 0.0094573756 -0.0105538021 0.0518241622 -0.1296330670 -0.2911378533 -0.3694447644 -0.2132228306 0.3126258290 -0.3021106562 0.0136806460 -0.0013298965 0.0159988615 -0.0707801974 0.0960056224 -0.0684006526 -0.0463731495 -0.0800335952 -0.0959025659 0.0022101670 -0.0009256180 -0.0003828029 -0.0010244055 0.0018244987 -0.0006460519 0.0055633081 -0.0046296791 0.0110922297 0.0084546485 0.0109795990 0.0162492696 -0.1314126178 0.0180096237 -0.1143614643 0.0462980605 -0.1081881505 -0.0074084177 0.0863420164 -0.0439531749 -0.0692134837 -0.0033484267 0.0018711878 -0.0431090310 0.0215176995 -0.2018688695 0.2512414315 -0.1149014091 0.1930712390 0.2436429553 -0.0019637839 -0.0056794965 -0.0026343373 -0.0028954222 0.0389829579 0.0645221964 0.0391409392 0.0513652596 -0.0386277720 0.0003356755 0.0019732255 0.0017214834 0.0006331484 -0.0011543799 0.0010402444 -0.0064236363 0.0039488806 -0.0001703172 -0.0015156115 0.0043836660 -0.0055087606 0.0005942029 0.0003064692 0.0011278830 -0.0050046508 0.0085041627 -0.0085902960 -0.0028689541 -0.0087380480 -0.0107205913 0.0003443430 0.0002580516 0.0014284107 -0.0059092244 0.0057210129 -0.0069000833 0.0015042114 -0.0064237538 -0.0094419382 0.0004316952 0.0003832126 -0.0001195326 -0.0002790674 -0.0024177837 -0.0019730093 -0.0020432144 -0.0022777427 0.0020621039 0.0003779080 0.0003748459 -0.0007240096 -0.0090024425 -0.0050961094 0.0028897891 0.0064284494 -0.0046373313 0.0000447840 -0.0044073176 0.0048843638 0.0074401367 -0.0003211116 0.0001387499 -0.0019256035 0.0004353380 -0.0009613394 -0.0008018298 -0.0018045836 0.0027557905 -0.0002901804 0.0007623678 -0.0025249323 0.0018800289 -0.0083579427 0.0374595699 -0.0003195677 0.0940414093 -0.5476697888 -0.0808189998 -0.3462770595 -0.0807912832 0.1568376429 0.4035513833 0.0095800670 -0.0912971376 0.0045400554 0.0177902915 0.0139236368 -0.0383101053 -0.0735137876 -0.1312906789 -0.0700650350 0.0728000891 -0.0317281016 -0.0097941374 -0.0007762621 -0.0114362185 0.0512883072 -0.0961992763 0.0812532567 0.0656408550 0.0822181548 0.0846326796 -0.0010986147 -0.0025809835 -0.0003330944 0.0014216599 -0.0001435006 0.0010678227 -0.0019922452 0.0083828504 -0.0168441186 0.0058732323 0.0130989596 0.0156269808 -0.1516206183 0.0158178292 -0.1254874204 0.0628392977 -0.1480361119 0.0099616524 0.1295997935 -0.0385397793 -0.0712786585 -0.0033516938 0.0043259012 -0.0451156563 0.0148207927 -0.2197458250 0.2707715973 -0.1269747927 0.2058172169 0.2585636118 0.0007054325 -0.0099606875 -0.0058298830 -0.0091789532 0.0585058671 0.0985359773 0.0272711275 0.0821165581 -0.0416834488 -0.0037046010 0.0103875746 -0.0020445495 -0.0015304822 -0.0036086247 0.0018625744 0.0187542764 0.0203377686 0.0281506134 -0.0091527357 0.0262329617 -0.0322959630 -0.0002239751 -0.0071878589 0.0366396476 -0.0914519274 0.1987975994 -0.1939741848 0.0231636521 -0.1479276235 -0.2385313339 0.0113741398 0.0080345625 0.0039619537 -0.0464249732 0.0119950456 -0.0226625252 -0.0125083845 -0.0391783167 -0.0377648191 0.0027540937 0.0066860964 -0.0038428289 -0.0084253454 -0.0611253548 -0.0460783834 -0.0244710823 -0.0534758303 0.0552409314 0.0056096828 0.0007573274 -0.0115142978 -0.1326313903 -0.0414870667 -0.0061492098 0.1149253454 -0.0086490275 0.0377673125 -0.0693357051 0.0544389821 0.1539713659 -0.0005316800 -0.0008213001 0.0023736108 0.0069377097 -0.0097592849 -0.0052177980 -0.0199053056 0.0299930844 0.0012905738 0.0014099637 -0.0046562426 0.0024148226 0.0124276162 -0.0212773259 0.0051423239 -0.0494899890 0.3080708574 0.1268183366 0.1382167981 -0.0308622532 -0.1661885970 -0.3217907468 0.0635688135 -0.0059652029 0.0067818297 -0.0078149872 -0.0153812376 0.0100534904 0.0472884889 0.1007862305 0.0303074253 -0.0575767370 0.0416293311 -0.0183287912 0.0035716715 -0.0203488556 0.1437643097 -0.1457116637 0.0974775406 0.0613976370 0.1161654933 0.1609115065 -0.0013198071 -0.0026634341 0.0038832066 0.0001298245 0.0009195802 -0.0007966926 -0.0035675183 0.0089927351 -0.0149574393 -0.0056514223 -0.0043508088 -0.0086899711 0.0442658798 -0.0172325121 0.0525465189 -0.0129770823 0.0250614091 0.0087448873 -0.0185824787 0.0272660344 0.0362811912 -0.0016233540 0.0008316426 0.0320474146 -0.0139840996 0.1492959926 -0.1782479082 0.0918173276 -0.1413818209 -0.1833487125 0.0044506685 -0.0022794705 -0.0018809583 0.0003962816 0.0016832167 0.0053244061 -0.0408334934 0.0141557305 0.0204040773 -0.0041257559 0.0076765665 -0.0063079255 -0.0017649926 -0.0050473535 0.0004890662 0.0469924337 0.0276781135 0.0483614247 -0.0125857803 0.0310792911 -0.0413824520 -0.0019406910 -0.0132671982 0.0622466965 -0.1488323945 0.3312134681 -0.3218715479 0.0450200500 -0.2419985228 -0.3956851532 0.0184601479 0.0133952535 0.0020743875 -0.0605109337 0.0013154175 -0.0156678152 -0.0264353528 -0.0459493883 -0.0342986120 0.0045241754 0.0118445797 -0.0072724652 -0.0147889586 -0.1078314162 -0.0817853955 -0.0406065490 -0.0952248432 0.0989538101 0.0098864646 0.0001708012 -0.0198999590 -0.2306887254 -0.0652801882 -0.0207229764 0.2021001533 -0.0035503960 0.0723508988 -0.1215566339 0.0925578693 0.2744058920 0.0000583532 -0.0014036075 0.0066209517 0.0054222357 -0.0073219248 -0.0050836617 -0.0188429649 0.0262915720 -0.0000211672 0.0003357396 -0.0010272160 -0.0008827725 -0.0072074402 0.0117820201 -0.0029692083 0.0270472957 -0.1699966800 -0.0767113955 -0.0730674876 0.0206363128 0.0947033320 0.1829998926 -0.0377682156 0.0051898408 -0.0072138031 0.0038807059 0.0075374747 0.0076240607 -0.0087027929 -0.0391516459 0.0016484671 0.0166347900 -0.0119198509 0.0155167724 -0.0020769861 0.0160529285 -0.1199936251 0.1212699298 -0.0810907432 -0.0574387872 -0.0992695735 -0.1332282020 0.0011836632 0.0008831695 -0.0018815030 -0.0004952625 -0.0001362343 0.0001341961 0.0072064928 -0.0031616807 0.0133130319 -0.0051272867 0.0082477889 0.0018648042 -0.1189415897 -0.0166243949 -0.0630114687 0.0619813793 -0.1587703381 0.0388868772 0.1492556193 0.0083655930 -0.0190404874 -0.0092096834 0.0064162931 0.0124497169 0.0057007745 0.0568584232 -0.0412504055 0.0371254937 -0.0494871257 -0.0742127608 0.0097855871 -0.0042480298 -0.0046075270 -0.0291800904 0.0175326227 0.0320723371 -0.0401358405 0.0270273880 0.0158650938 -0.0099128022 0.0181704705 -0.0073876409 -0.0090242673 0.0056256122 -0.0011203717 0.0412162216 -0.0166564723 0.0176135860 -0.0183463511 0.0083023656 -0.0063106846 0.0004237653 -0.0059074927 0.0292596906 -0.0710668862 0.1498718789 -0.1457825562 0.0571824857 -0.0907348382 -0.1856473746 0.0275278593 0.0106273937 0.0452123606 -0.2331149359 0.2025412056 -0.2565975828 -0.0045060360 -0.2717980927 -0.3196427383 -0.0135869258 -0.0239068887 0.0183225884 -0.0000700965 0.1076036655 0.0997875965 0.0404978470 0.1228762205 -0.1298598758 -0.0205718475 0.0055175836 0.0204181568 0.3580769319 0.0968462839 0.0398802817 -0.2483224405 0.0234722033 -0.0837781707 0.1866874592 -0.1838815388 -0.3514026570 0.0004042060 -0.0023365567 0.0091072046 0.0169755187 -0.0210411136 -0.0073521695 -0.0390078491 0.0544490026 0.0044318797 0.0007742534 -0.0031911252 0.0002474109 0.0012985720 0.0009064870 0.0008246953 0.0031204098 -0.0137168368 0.0076805845 -0.0175537159 -0.0147264256 -0.0097392754 -0.0040814396 0.0127008966 -0.0133472470 -0.0013812492 0.0007134531 -0.0007084917 0.0067095198 0.0112457956 0.0119947441 0.0111738699 -0.0108263479 0.0105615162 0.0037795722 -0.0000963155 0.0036926147 -0.0331453683 0.0305069087 -0.0196692606 -0.0144266220 -0.0249673439 -0.0355272827 -0.0003076449 -0.0013255528 0.0011203650 -0.0000102415 0.0003868744 -0.0002819047 0.0057314054 0.0071533976 -0.0013765308 0.0140826284 -0.0252045251 -0.0088901216 0.3749765033 0.0385400771 0.2168737755 -0.1914445168 0.4876556807 -0.1189565473 -0.4625309543 -0.0131169878 0.0734420510 0.0282047506 -0.0164684680 -0.0308427088 -0.0447782843 -0.1599304079 0.0923378281 -0.0916774292 0.1288683029 0.1951819740 -0.0219887767 -0.0034229476 0.0042025692 0.0881996568 0.0087256497 0.0149768517 0.0763770519 0.0323628762 -0.0569491780 0.0158202783 -0.0289565568 0.0128724706 0.0133043547 -0.0131593293 0.0027240669 -0.0415772403 0.0413518997 -0.0005057957 0.0124686335 0.0039583657 -0.0151445409 0.0028813199 -0.0012379378 0.0170332032 -0.0540940710 0.1027854885 -0.1027481303 0.0032348181 -0.0834768424 -0.1289322264 0.0108160867 0.0051429382 0.0185988119 -0.0940992501 0.0783565771 -0.0987085315 -0.0032345343 -0.1084568845 -0.1268124012 -0.0030933354 -0.0049300040 0.0052920743 0.0019689538 0.0139419776 0.0199861898 0.0014378686 0.0235607595 -0.0255555879 -0.0046383672 0.0036311356 0.0046287182 0.0835807054 0.0111928437 0.0263306774 -0.0628753670 -0.0135483993 -0.0314229725 0.0463652066 -0.0405940053 -0.0933314574 -0.0010348007 0.0037882893 -0.0146596779 -0.0278061918 0.0348971631 0.0092552577 0.0644443507 -0.0863609965 -0.0102490780 -0.0010667504 0.0049317577 -0.0000390881 -0.0066995554 -0.0014005022 -0.0031676986 -0.0075909823 0.0209322503 -0.0480921834 0.0548442632 0.0595524690 0.0522557730 0.0512378945 -0.0534310461 0.0491279677 -0.0015500604 -0.0021070920 -0.0005568602 0.0006097559 -0.0042925142 -0.0091124505 -0.0050495134 0.0061658080 -0.0110740345 -0.0056391781 0.0008555367 -0.0068901807 0.0581941051 -0.0529271986 0.0346711002 0.0221055012 0.0418221432 0.0615928587 0.0010199308 0.0010041052 -0.0007334873 -0.0010927531 -0.0000417503 -0.0007192720 -0.0055929005 -0.0098758958 0.0053920999 -0.0041369496 0.0011423788 0.0040476658 -0.0275884796 0.0389184891 -0.0690980037 0.0257767989 -0.0492657371 0.0468045949 0.0857935969 -0.0223202236 -0.0423009515 -0.0061679428 0.0012201573 0.0005673510 0.0105804194 0.0043046747 0.0119017697 0.0048104711 0.0018012259 -0.0002364676 0.0042894288 -0.0003345373 -0.0016272601 -0.0148297575 0.0055999294 0.0086726680 -0.0103974061 0.0043105080 0.0052288757 -0.0022131720 0.0054820762 -0.0037821038 -0.0017673257 0.0012520153 0.0001771678 0.0015024581 -0.0022572649 0.0002935892 -0.0014488180 0.0030018123 -0.0015144159 -0.0000996110 0.0003253878 -0.0025456110 0.0070909189 -0.0137708141 0.0135064003 -0.0008924655 0.0108458720 0.0171546163 -0.0011019725 -0.0006135636 -0.0009375005 0.0059280840 -0.0039490610 0.0052599263 0.0016571365 0.0069557418 0.0067289599 0.0003903445 0.0006154950 -0.0001259219 0.0004404465 -0.0011396922 -0.0011154500 -0.0011142544 -0.0011056649 0.0013433054 0.0003964596 0.0002024048 0.0003019723 -0.0028196410 -0.0032231135 0.0033065409 -0.0023094381 -0.0055338053 -0.0034631940 -0.0008470304 0.0040107880 -0.0033417276 -0.0000818800 -0.0004411331 0.0031396372 0.0039480653 -0.0063717898 -0.0016493579 -0.0103698526 0.0172190980 0.0027340435 0.0001906336 -0.0012931382 0.0004975245 -0.0393990077 -0.0043736093 -0.0123090671 -0.0343076400 0.0459404741 -0.3050158016 0.2584997188 0.3075577018 0.2895267195 0.3381525285 -0.2720649519 0.2342305503 -0.0493573737 -0.0059428249 -0.0426855634 0.1654290306 0.2715926561 0.2776049943 0.2530834347 -0.2546548976 0.1805509534 -0.0002298145 0.0049046125 -0.0192418983 0.0814074072 -0.1034555480 0.0792411419 0.0371658462 0.0757086289 0.1174461242 -0.0015311443 -0.0029554737 0.0039456460 -0.0011494708 0.0015700908 -0.0019783052 0.0008478561 0.0024385595 0.0015283623 -0.0007894604 0.0009729543 0.0009378127 -0.0196178659 0.0027961322 -0.0174414254 0.0102933520 -0.0247145148 0.0091133198 0.0271638899 -0.0024575042 -0.0078849368 -0.0019501555 -0.0000681415 0.0016180023 0.0100487729 0.0146125999 -0.0066267425 0.0058320722 -0.0093789957 -0.0129156393 -0.0007603383 0.0045924235 0.0024177756 -0.0039027844 -0.0183156086 -0.0329445088 0.0070551368 -0.0333557434 0.0064777913 0.0049094660 -0.0083735908 0.0021538386 0.0027450051 -0.0001688810 -0.0019370358 0.0050960533 0.0063651340 0.0029566647 0.0008868218 -0.0032395926 0.0016427285 -0.0025946122 -0.0044232766 0.0066374472 -0.0003659311 0.0317150523 -0.0286317303 0.0300762651 -0.0058769474 -0.0297888200 -0.0080047435 -0.0038339458 -0.0055051328 0.0052332360 -0.0216460358 0.0190051582 0.0164452772 0.0333259913 0.0164903823 0.0247061820 0.0447204006 0.0088160550 0.0071164933 -0.2157316558 -0.1386542795 -0.1560878447 -0.1276111098 0.1449954610 0.0224390038 0.0347092093 0.0211862289 -0.1217239700 -0.2897352309 0.3660451574 -0.2255482013 -0.5150717347 -0.3361318459 -0.0001590448 0.2448741570 -0.3642183417 -0.0003803914 0.0009213754 -0.0028708976 -0.0068483698 0.0081099916 0.0024891520 0.0134223857 -0.0200782863 -0.0017493898 -0.0007332843 0.0018697870 -0.0003956546 0.0004737465 -0.0000204372 0.0000673840 0.0002594621 0.0006277715 0.0033533500 -0.0020440050 -0.0027850074 -0.0028222560 -0.0042103408 0.0024389239 -0.0018761613 0.0007262122 -0.0000123881 0.0007051825 -0.0029456122 -0.0049855642 -0.0052917030 -0.0045420993 0.0046806315 -0.0037306357 -0.0001730825 -0.0004333068 0.0004905915 0.0010915748 0.0013265714 -0.0020901224 -0.0008442986 -0.0009125333 0.0003822223 0.0002548993 0.0015962773 -0.0016513630 0.0002209951 -0.0004106992 0.0007535760 -0.0021928779 -0.0058456332 0.0046879891 0.0050198067 -0.0032205808 -0.0143287057 0.1261877745 -0.0830390374 0.1949636286 -0.0683026034 0.1477876364 -0.0880151998 -0.2094182305 0.0614269795 0.1087549247 0.0158349535 0.0084660845 -0.0033537964 -0.1289391715 -0.1108662925 0.0184591518 -0.0215285378 0.0511308240 0.0644115140 0.0264709253 -0.0593004394 -0.0351498181 -0.0092067112 0.2175117012 0.4015508450 -0.1491909509 0.3966325471 -0.0404366494 -0.0760095426 0.1341994258 -0.0365578372 -0.0547810726 0.0447672628 -0.0087592750 0.1839303744 -0.1234129725 0.0439388160 -0.0593800515 0.0246658329 0.0096201093 -0.0081580633 -0.0062596624 -0.0030684811 0.0437831527 -0.0582849699 0.0646182945 0.0626212723 0.0867285269 0.0817081360 -0.0031412737 -0.0026031225 -0.0124391569 0.0426694370 -0.0424111096 0.0470645140 0.0051922689 0.0594132070 0.0643255000 0.0036003147 0.0058496827 0.0011130654 -0.0081042414 -0.0195028718 -0.0204780439 -0.0140637730 -0.0112299025 0.0152726061 0.0026903379 0.0023747514 0.0037195225 -0.0140529947 -0.0301849751 0.0370260362 -0.0325150442 -0.0572955196 -0.0390809317 -0.0018553227 0.0339578236 -0.0476654434 0.0046745771 -0.0157762984 0.0500208137 0.1199519272 -0.1489157591 -0.0450004410 -0.2666723084 0.3562333253 0.0343196385 0.0073801169 -0.0226842344 0.0055661659 0.0002221820 0.0009085819 0.0008758028 0.0026061462 -0.0162579301 0.0002267137 -0.0138664749 -0.0111157478 -0.0071370618 0.0048892184 0.0105947409 -0.0129565321 -0.0040576699 0.0007967343 -0.0013328350 0.0209613994 0.0282294092 0.0268686803 0.0272880891 -0.0244088841 0.0222817192 0.0089017226 0.0038992170 0.0035251895 -0.0756517038 0.0532528940 -0.0253052264 -0.0263952736 -0.0460877874 -0.0782907661 -0.0009031014 -0.0189476218 0.0198943776 -0.0048070839 0.0062006873 -0.0103356077 0.0396128357 0.0708059042 -0.0360610381 0.0241661096 0.0353282697 -0.0335485636 -0.3191670937 -0.5211689756 0.4333392437 0.0562554641 -0.2950979130 -0.2883793571 -0.1523518944 0.2849612656 0.3592120003 0.0241766239 0.0117619839 -0.0116327638 -0.0293984336 -0.0498912114 0.0229735901 -0.0643767372 0.0199383017 0.0077438067 -0.0127610507 0.0033370769 0.0065843070 0.0077059169 -0.0215105062 -0.0347332257 0.0372203914 -0.0370290170 -0.0121158176 0.0098544059 -0.0175315236 0.0064051565 0.0054622582 -0.0042052532 0.0006878577 -0.0180190733 0.0100428510 -0.0055253032 0.0051535246 -0.0045402019 0.0010441669 0.0006425316 0.0007242245 -0.0002178374 -0.0024707085 0.0025413367 -0.0030169898 -0.0056664316 -0.0056608184 -0.0043471374 -0.0000476524 0.0000009190 0.0006227036 -0.0012176187 0.0017301249 -0.0015969311 -0.0005512961 -0.0024247515 -0.0019765105 -0.0000909161 -0.0000398757 -0.0001145107 0.0010035670 -0.0001443572 0.0006216923 0.0000175715 -0.0003066514 0.0001533284 0.0000461703 0.0000340021 -0.0000605937 -0.0001591716 0.0002612954 -0.0004114969 0.0004088722 0.0005682286 0.0003790640 0.0000467461 -0.0003814015 0.0006842155 -0.0006397032 0.0022039192 -0.0070316732 -0.0128320736 0.0173645081 0.0052065373 0.0295259895 -0.0404047760 -0.0037168843 -0.0006532934 0.0033404381 -0.0014400106 -0.0004997108 -0.0008606824 -0.0006552339 0.0009612060 -0.0062201463 -0.0134117284 -0.0002646633 0.0099747801 0.0204092378 0.0175456905 -0.0102232351 0.0059851748 -0.0080425808 0.0005628688 -0.0048660776 0.0517009814 0.0459902326 0.0243591496 0.0341571020 -0.0372896417 0.0317356908 -0.0000918433 0.0010932510 -0.0020572172 0.0068884158 -0.0074751005 0.0064185701 0.0007967361 0.0052568556 0.0064980022 0.0009235823 -0.0012382726 0.0008035202 -0.0000839780 0.0014994816 -0.0021134375 -0.0018821782 -0.0049485915 0.0067205932 -0.0023588628 0.0068465170 0.0090437422 -0.0107655580 0.0121052610 -0.0540769092 -0.0005383869 -0.0179604508 -0.0104985643 0.0110675785 -0.0268483129 -0.0422797630 -0.0026890806 -0.0023202369 0.0004314819 -0.0031567546 0.0309483801 -0.0412147926 0.0814493245 -0.0068809660 -0.0085996146 -0.0008771025 0.0007160068 0.0220998515 0.0103780224 -0.0997461167 -0.1192391082 0.0334457810 -0.0960210717 0.0431889681 -0.0798410198 0.0392713129 0.4422423367 -0.0128194283 -0.0011612645 0.0065782060 -0.0052020939 0.0179818774 0.0373721150 -0.0186049192 0.0552217643 -0.0577281239 0.0020748353 0.0057533612 0.0010943527 -0.0561366553 0.0032645362 -0.0047950712 -0.0144013565 -0.0232444303 -0.0282552900 -0.0010619298 -0.0027562076 -0.0006607987 0.0102467230 0.0074910001 -0.0060678448 0.0076408609 0.0063801670 0.0023611415 0.0000617048 0.0009221535 -0.0005198360 0.0028215541 -0.0027280177 -0.0003006745 -0.0032815398 -0.0020879467 0.0029185293 -0.0000534371 -0.0004288114 -0.0002193007 0.0001266256 0.0002875250 -0.0005324654 0.0003724098 0.0018301062 0.0012772079 -0.0009327968 0.0006832724 0.0010151168 0.0248147714 0.0079756713 -0.2429532810 0.0711913308 -0.0355202071 -0.0737135212 0.0178296750 -0.0940215815 -0.1000202494 0.0001431342 0.0095378541 -0.0377704126 -0.0079636694 0.0011481565 -0.0007232418 -0.0024290021 -0.0162927035 0.0146333229 0.0060427403 -0.0016682273 -0.0176301993 0.0192373784 0.0086030251 -0.0143184954 0.0123534360 -0.0008591328 -0.0054315981 -0.0360751525 -0.0125481800 0.0524251885 -0.0462345330 -0.0037841125 0.0383419400 -0.0172367741 0.0402404274 -0.0127919879 0.0484850084 -0.0043008459 -0.0101444230 0.1084570972 0.0352509641 -0.2343245236 0.1894695970 -0.3093123489 0.3283501661 -0.1600610048 0.1779955998 -0.1971738270 0.1953459548 0.1907487641 -0.3815950489 0.0015313556 0.0003403474 -0.0035918367 -0.0067202956 -0.0100940225 0.0302692685 0.0019737834 0.0047441811 -0.0062350059 -0.0181576826 0.0048104362 0.0111913164 -0.0045570500 -0.0015512040 -0.0032901507 0.0240745306 0.0229623709 -0.0133644029 0.0685974358 0.0049766052 0.0031423366 -0.0049602511 0.0005073521 0.0277773292 0.0159031773 -0.0923292954 -0.1028862456 0.0415822428 -0.0726732242 0.0349261255 -0.1467820080 0.1292587123 0.5232356969 -0.0077223382 0.0048871649 0.0149793934 -0.0140224349 0.0289170950 0.0502430557 -0.0491878409 0.0920296932 -0.1038036034 -0.0010483521 0.0061081018 -0.0006635034 -0.0491118335 -0.0032921826 0.0048088729 -0.0254519960 -0.0281631716 -0.0158232298 -0.0022797063 -0.0026477166 -0.0008411090 0.0053557075 0.0084105787 -0.0119438245 0.0296831081 0.0149971323 -0.0120759827 0.0006037258 0.0016063316 0.0001733314 -0.0025933131 -0.0005269349 -0.0054399473 -0.0038604787 0.0007976321 0.0022923467 -0.0012693520 -0.0013319828 -0.0005634133 0.0025705105 0.0004028675 -0.0014033450 0.0055501699 0.0032144194 0.0047343857 -0.0020143852 0.0029841328 0.0025612507 0.0338962921 -0.0016277472 -0.2803063923 0.0969340068 -0.1248876553 -0.1118791778 -0.0765518197 -0.0174648100 -0.1336877395 0.0188788403 -0.0145106076 -0.0376668169 0.0062584598 -0.0005004534 0.0037104749 0.0020307900 0.0060544989 -0.0353013279 -0.0003297954 0.0007533818 0.0137781947 0.0018344782 -0.0021838716 0.0085724823 -0.0104903427 -0.0034311985 -0.0080262641 0.0268311040 0.0231576030 -0.0241017949 -0.0013976072 -0.0100107805 -0.0165007946 0.0168247136 -0.0190828965 0.0202501276 0.1186097917 -0.0136999483 -0.0609595522 -0.0838759675 -0.0136462630 0.1979670558 -0.2355025987 0.2615029269 -0.3018927862 0.1704254102 -0.1722784325 0.1907586057 -0.0714079713 0.0492143649 0.3003402988 -0.0003060802 0.0010373243 0.0017174713 0.0112333007 -0.0160424632 -0.0142378986 -0.0077160059 -0.0027779687 0.0019135077 -0.0006008799 0.0085693438 -0.0074722150 0.0002033287 -0.0002307858 -0.0002054265 -0.0024510350 0.0025016425 0.0017970890 0.0001012314 -0.0000598816 0.0004676267 0.0000367390 -0.0000944782 -0.0000765579 -0.0001273915 0.0008135233 -0.0004039292 0.0003209625 0.0001939837 0.0009922642 0.0006183244 -0.0001165479 -0.0001930395 -0.0001471996 0.0014719259 0.0011895694 -0.0005735239 -0.0000411446 0.0002398304 -0.0004283342 -0.0150125846 -0.0158102433 -0.0002853516 0.0002707290 0.0001245386 0.0016701301 -0.0007273627 -0.0003965200 -0.0003143470 -0.0001922198 -0.0001376820 -0.0000067589 0.0001638090 0.0002593599 0.0006365231 -0.0027382733 -0.0027305351 -0.0002305022 0.0007708098 -0.0007171357 -0.0000060332 0.0000814972 -0.0000049218 -0.0001960573 -0.0002582169 0.0004756825 0.0002472910 -0.0005035283 -0.0003892255 0.0000188807 0.0000278314 0.0000235544 0.0000251971 -0.0002028521 -0.0001431061 0.0000019983 0.0000106729 -0.0000675445 -0.0002678862 -0.0001438841 -0.0000609611 -0.0002461777 -0.0000567606 0.0002061797 -0.0008500751 0.0001435031 0.0008010100 -0.0004292099 0.0004332759 -0.0041693571 -0.0001979686 0.0002136789 -0.0000397266 0.0005685403 0.0002608286 -0.0002070834 -0.0059661509 -0.0010802938 -0.0009404568 0.0016932793 -0.0034262922 0.0015409072 0.0001701901 0.0022170488 0.0019238463 -0.0001195316 0.0003735943 0.0005726321 -0.0046924644 0.0044786961 -0.0003731957 -0.0007051724 -0.0088455134 -0.0068352246 -0.0036458867 0.0045128446 -0.0006766859 -0.0004745860 0.0012731549 -0.0049165713 0.0429705860 -0.0598781303 0.0143474366 0.0598725542 -0.0486980190 -0.0344640683 0.0007054552 -0.0009544588 0.0016755083 -0.7042486392 0.5890763113 0.3776447934 -0.0003895810 -0.0001559062 -0.0005715150 -0.0031682471 0.0054029816 0.0038779567 0.0070886019 0.0026110329 -0.0019048398 0.0006386929 -0.0063481888 0.0046661917 -0.0001327542 0.0001261494 0.0002238816 0.0013394996 -0.0021434281 -0.0016553917 0.0000053781 0.0009760653 -0.0007452446 0.0002342387 0.0004215720 -0.0001187810 0.0000604731 -0.0051147844 0.0035525658 -0.0020031413 -0.0006147356 -0.0032542255 0.0007817501 -0.0003535156 -0.0009905359 0.0023853338 0.0668698402 0.0262208428 -0.1668895921 -0.1387251840 0.2892917563 0.1390244058 -0.6610681483 -0.6077942943 0.0063523883 -0.0111832818 0.0070008059 0.0017707888 -0.0006614374 0.0041105939 -0.0847974434 0.1395945707 -0.0800618919 -0.0003069222 -0.0013901958 -0.0034115485 -0.0073934303 0.0327621707 0.0270916037 0.0139363937 -0.0181764278 0.0127568860 0.0000948925 0.0002110367 0.0000577719 -0.0003597394 -0.0002293094 0.0006253607 0.0000969659 -0.0035526162 -0.0026203727 0.0002863937 0.0002948837 -0.0006566524 -0.0000282476 -0.0000265679 -0.0002344072 -0.0040237084 -0.0035791460 0.0081194382 0.0011342933 0.0009155215 -0.0003098979 -0.0001234801 -0.0001198909 0.0003649891 -0.0000281923 0.0004630836 -0.0007918694 -0.0040820246 -0.0037126898 0.0153580212 -0.0001926478 0.0002611825 0.0000758995 0.0000080595 -0.0000757520 0.0000409197 0.0003573990 0.0000706915 -0.0000355168 -0.0004850464 0.0009309546 -0.0005035219 0.0000598487 -0.0000378837 -0.0000812893 -0.0001010826 -0.0002089714 -0.0000984304 0.0005164633 -0.0003631261 0.0001652693 0.0003238532 0.0018596177 0.0013543132 0.0017567517 -0.0014360727 0.0017498545 -0.0027399288 -0.0115788407 -0.0097346210 -0.0175933310 0.0286069907 -0.0100874093 -0.0002639645 0.0011863748 0.0010441307 -0.0002037607 0.0000422572 -0.0002931671 0.0083289132 -0.0128391528 -0.0079108948 -0.0294218662 0.0004880190 -0.0416051745 -0.2128557652 0.3321971540 0.2352055243 0.5029787864 0.1803609885 -0.1374956560 0.0524874846 -0.5266267758 0.3852184477 0.0086700481 -0.0082745389 -0.0102800739 -0.1009925984 0.1499552378 0.1149411303 0.0047275468 -0.0399076788 0.0219126300 0.0007903201 -0.0000002414 0.0004980774 -0.0014182398 -0.0019523609 0.0008978888 -0.0072087039 -0.0031330112 -0.0110525737 -0.0000749902 0.0001601115 0.0001311546 -0.0001453075 -0.0000433267 0.0004897818 0.0022005643 0.0021393052 -0.0044362687 0.0000845960 -0.0013164368 -0.0012765895 -0.0020007144 0.0021969380 -0.0037610319 -0.0048026868 0.0191760555 0.0182446853 0.0290138104 -0.0452361564 0.0261450936 0.0000492163 -0.0002431603 0.0000387567 -0.0002370581 0.0012416669 0.0010567747 -0.0011043574 0.0015233812 -0.0011979142 -0.0000663568 -0.0000727944 0.0000764526 0.0008626520 0.0007957828 -0.0013088809 0.0000126284 0.0002734448 0.0002174610 -0.0000535617 -0.0001920140 0.0002147536 -0.0003207609 0.0011792327 0.0009301850 0.0015730125 0.0014480450 -0.0033198676 -0.0008149551 -0.0005392367 -0.0000712171 -0.0000206391 -0.0000142481 -0.0000712562 -0.0001547849 -0.0002202291 -0.0001099979 0.0002745750 0.0003815156 -0.0001506357 0.0000059153 0.0000628683 0.0001591289 0.0005471919 0.0000777102 -0.0004647640 -0.0094522083 -0.0014700755 -0.0003898454 0.0023233219 -0.0041038172 0.0020606500 0.0009760173 0.0047695700 0.0035511221 -0.0000533595 -0.0000611860 -0.0000418747 -0.0006817678 0.0001418467 0.0004318934 0.0003039587 0.0003407947 0.0004683120 -0.0005258935 0.0006910094 -0.0004123395 0.0001031436 0.0010222318 0.0007287541 0.0061121965 -0.0089383048 0.0030454493 0.0019419233 -0.0014708317 0.0003743674 -0.0003014829 0.0004060212 -0.0005396913 -0.0150589829 0.0119876288 0.0059264592 0.0016291962 -0.0001953449 0.0020402889 0.0100929142 -0.0155351795 -0.0109118065 -0.0263945675 -0.0094574962 0.0073085597 -0.0026975310 0.0276495515 -0.0201716050 -0.0010481581 0.0009831407 0.0014784746 0.0125174778 -0.0185468098 -0.0142158897 -0.0006790341 0.0062520379 -0.0039768686 0.0001738155 0.0004469279 -0.0000829101 0.0002364522 -0.0048653463 0.0032797988 -0.0016313757 -0.0004930655 -0.0027420320 0.0002863283 -0.0002853588 -0.0004810919 -0.0023181830 0.0073699881 0.0088900722 0.0119310781 0.0131858393 -0.0243543689 0.0196174685 -0.0916949337 -0.0836381394 -0.0249878744 0.0278074942 -0.0441880681 -0.0558212481 0.2160357751 0.2034743320 0.3576131843 -0.5513456770 0.3192290982 0.0018075037 -0.0240128364 -0.0367350037 -0.1230897644 0.4017782016 0.3676986209 0.0889551522 -0.1160757641 0.0736287755 -0.0023902939 0.0006412334 0.0057882693 0.0255490397 0.0251824429 -0.0457839292 0.0106914297 -0.0327190557 -0.0262238901 0.0011249773 -0.0027317969 0.0028663360 -0.0092616593 0.0279951427 0.0204526874 0.0214180635 0.0200173221 -0.0458206752 -0.0286868472 -0.0161996361 -0.0059436746 -0.0000054995 0.0000086225 0.0002457408 -0.0000664121 -0.0001901407 0.0000371941 -0.0016113677 -0.0014878621 0.0031975735 -0.0001113703 0.0001509483 0.0000244063 -0.0003308690 -0.0002490938 0.0007245144 0.0094815090 0.0015477017 0.0003379774 -0.0043808778 0.0077696717 -0.0038845768 -0.0014215751 -0.0064390163 -0.0048720144 -0.0000777181 -0.0001231690 -0.0002071127 0.0006014184 -0.0010038283 0.0004243387 0.0005164184 0.0023726784 0.0018734263 0.0003081296 0.0000261339 0.0005088961 -0.0012116945 -0.0049475274 -0.0042903215 -0.0028351939 0.0044022644 -0.0015397420 0.0002072561 0.0001270261 0.0001138818 -0.0001189097 0.0000343828 -0.0000734223 0.0000378902 -0.0009302939 -0.0002227643 0.0011012076 -0.0001857038 0.0012356110 0.0060155478 -0.0091550407 -0.0063746563 -0.0172208409 -0.0061668763 0.0048042587 -0.0017026432 0.0177101700 -0.0128920567 -0.0010882194 0.0010328257 0.0016027762 0.0131643058 -0.0195291089 -0.0149639861 -0.0007370772 0.0068294382 -0.0044293412 0.0001354565 0.0003890963 -0.0001527765 0.0001622266 -0.0044478039 0.0029850486 -0.0010141409 -0.0003056393 -0.0015614055 0.0003137922 -0.0002068610 -0.0003755276 -0.0012661660 0.0083137843 0.0082825172 0.0003979136 0.0025320403 -0.0076543917 0.0179399538 -0.1018159166 -0.0919180187 -0.0138935065 0.0114258983 -0.0358414002 -0.0558822667 0.2267449421 0.2199249419 0.2279061186 -0.3564720599 0.2047671535 -0.0006702635 0.0258944485 0.0524074436 0.1659022034 -0.5230430016 -0.4809421750 -0.1608979346 0.2079819625 -0.1367345868 0.0043649240 0.0053046051 -0.0102131218 -0.0619693379 -0.0609091333 0.1183263957 0.0012610315 0.0039488189 0.0000692717 0.0012883891 -0.0036204450 0.0025358485 -0.0082297522 0.0344174947 0.0295747759 0.0243189630 0.0226946848 -0.0531173127 -0.0288135150 -0.0182357210 -0.0070028069 -0.0000456340 -0.0000147750 0.0001603437 -0.0001386010 0.0000545480 -0.0006053459 -0.0014031732 -0.0021199123 0.0093741558 -0.0001162481 0.0001399714 0.0000028337 -0.0003749581 -0.0002678385 0.0007937730 0.0104509197 0.0017206176 0.0003339082 -0.0047142984 0.0084233885 -0.0041993702 -0.0015381377 -0.0070741202 -0.0053536209 -0.0001922537 -0.0002942484 -0.0004460405 0.0011269966 -0.0020081377 0.0008611820 0.0012757548 0.0053774996 0.0042242905 0.0004639508 0.0000807087 0.0007286012 -0.0017919375 -0.0074795179 -0.0065541272 -0.0038276074 0.0061168717 -0.0020099943 -0.0000040637 0.0004131463 0.0003976805 -0.0001572267 0.0000600286 -0.0001476115 0.0034809399 -0.0041798271 -0.0020889978 -0.0007173777 -0.0021607563 -0.0133520005 -0.0707253136 0.1134265266 0.0813188287 0.0610403818 0.0216255428 -0.0136073652 0.0129465245 -0.1107615668 0.0807445072 -0.0311374304 0.0305702900 0.0509027770 0.3958942352 -0.5888189470 -0.4493286548 -0.0273545524 0.2209679145 -0.1453617420 -0.0062612488 -0.0191200842 -0.0026181760 -0.0156349983 0.2077510618 -0.1356872027 0.0904165801 0.0316945296 0.1765944397 -0.0002365893 0.0003929972 -0.0001702919 0.0000764845 -0.0003660303 -0.0003134547 0.0000129228 -0.0000061287 -0.0000034210 -0.0008472159 0.0041635539 0.0037786612 0.0003376100 -0.0002678010 0.0008481288 0.0013723479 -0.0053943416 -0.0051658289 -0.0055625959 0.0085780133 -0.0049193171 -0.0000282985 -0.0000972959 -0.0003860849 -0.0011292775 0.0033446429 0.0030758905 0.0016266547 -0.0020691539 0.0013481761 -0.0000494334 -0.0001104442 0.0001254118 0.0008528973 0.0008489788 -0.0016624092 -0.0001381891 0.0003352632 0.0003130921 -0.0002714092 0.0002403424 -0.0001329282 0.0009772523 -0.0034587843 -0.0027614084 -0.0015392379 -0.0014196958 0.0032980845 0.0036730554 0.0021179239 0.0009814480 0.0000427197 0.0001021185 0.0000615342 -0.0000384413 -0.0000902660 0.0000274475 0.0001843945 0.0003011621 -0.0007588623 0.0005699339 -0.0007829172 -0.0005982423 0.0054015908 0.0039197319 -0.0116608461 -0.1564006837 -0.0256612643 -0.0048383293 0.0706534931 -0.1249515933 0.0620914283 0.0234592556 0.1047236731 0.0784473238 -0.0010456117 -0.0015744367 -0.0014059702 0.0032020175 -0.0065847285 0.0022563195 0.0067615457 0.0244980257 0.0181359788 -0.0002433173 0.0002301924 -0.0002271031 0.0004442277 0.0001288809 0.0002820402 0.0025261077 -0.0030791502 0.0011408475 0.0006777942 -0.0005753575 0.0002334454 -0.0001225889 0.0002198351 -0.0002166567 -0.0051859379 0.0041465606 0.0018373505 -0.0006950741 -0.0004899220 -0.0039175204 -0.0204019204 0.0329149305 0.0233166359 0.0230809522 0.0082668841 -0.0054195430 0.0040375727 -0.0358141493 0.0259146524 -0.0078758943 0.0076473638 0.0130883472 0.1007051392 -0.1500756496 -0.1144180421 -0.0071709980 0.0580559053 -0.0381519517 -0.0018918664 -0.0056908603 -0.0007094279 -0.0045170731 0.0616351370 -0.0402782969 0.0266290476 0.0093202203 0.0516769673 -0.0002593056 0.0002666869 0.0002702905 0.0000252243 -0.0002022124 -0.0001402074 0.0002324655 0.0000907718 0.0000142116 -0.0003982554 0.0021324899 0.0017972907 0.0006286790 -0.0006170997 0.0013514222 0.0019263966 -0.0076915757 -0.0072901272 -0.0097286904 0.0149960611 -0.0086254172 -0.0000561018 -0.0000021125 -0.0003482556 -0.0008838233 0.0024974963 0.0022876732 0.0018529559 -0.0022954600 0.0015261335 -0.0001120024 -0.0004442886 0.0001883929 0.0023876347 0.0022838118 -0.0044383358 -0.0009642621 0.0027829374 0.0024313744 -0.0003437378 0.0003408242 -0.0001971904 0.0013324703 -0.0046360008 -0.0036873599 -0.0021509891 -0.0020040420 0.0046542407 0.0047502849 0.0027212228 0.0012593219 0.0000449309 0.0000231748 -0.0001411983 -0.0000760180 -0.0002183827 -0.0000793986 0.0002488072 0.0003261392 -0.0006400246 0.0002102895 -0.0002769798 -0.0001844841 -0.0192355964 -0.0145383821 0.0429896213 0.5698924400 0.0937928346 0.0177962893 -0.2611857090 0.4617603547 -0.2298189727 -0.0868225049 -0.3844516369 -0.2886391525 0.0046831804 0.0064951147 0.0066443025 -0.0177130186 0.0324433303 -0.0113624339 -0.0290517802 -0.1071352492 -0.0801755334 -0.0028766091 0.0008872004 -0.0038790755 0.0084730900 0.0346504150 0.0302119579 0.0261091740 -0.0448753222 0.0165382046 0.0004635341 -0.0001826599 0.0000654240 -0.0001676906 0.0000371626 -0.0000918770 -0.0031730514 0.0021023928 0.0013813723 -0.0000771762 0.0000080303 0.0000731500 0.0003301641 -0.0005169166 -0.0004021983 0.0006415812 0.0002327829 -0.0002118314 -0.0000573998 0.0002283522 -0.0002006918 0.0002318854 -0.0001840511 -0.0003826224 -0.0028729021 0.0041727470 0.0031992823 0.0002002105 -0.0019656933 0.0013374158 -0.0001333957 -0.0004968967 0.0000478540 -0.0002787697 0.0053282893 -0.0034631492 0.0017114795 0.0006140532 0.0030573334 -0.0000495787 0.0001009473 0.0000161492 -0.0002345277 -0.0002969151 0.0001885484 0.0029772288 0.0026028975 -0.0044852892 -0.0003319486 0.0014064404 0.0013651272 -0.0006649469 0.0000026402 -0.0017720302 -0.0031504593 0.0147185325 0.0131786120 0.0121446134 -0.0173537036 0.0105457607 0.0027201233 -0.0065631449 -0.0027694739 -0.0165358241 0.0523123245 0.0498551947 -0.0195386947 0.0265993364 -0.0191256242 0.0129683909 0.0461628418 -0.0124128032 -0.2511331737 -0.2277388959 0.4353516550 0.1049726515 -0.3207069296 -0.2836686641 -0.0306551393 0.0180553287 -0.0086807468 0.0913040823 -0.3282051445 -0.2596725694 -0.1223683792 -0.1113191815 0.2535146807 0.3901656548 0.2251405759 0.1059763450 0.0000084032 -0.0000165110 -0.0000110801 0.0000463306 -0.0000279917 -0.0000437368 0.0000388050 -0.0001640166 0.0004138218 0.0000267883 -0.0000519277 0.0000028235 0.0000212341 -0.0000074000 -0.0000124715 -0.0002949301 -0.0000487934 -0.0000137268 0.0000239145 -0.0000318410 0.0000080992 0.0000445331 0.0001845907 0.0001304119 0.0000053356 0.0000062996 0.0000240858 -0.0000604428 0.0001320178 -0.0000501607 -0.0000701846 -0.0002518521 -0.0001993806 0.0002101713 -0.0000898705 0.0002611646 -0.0005439612 -0.0020734360 -0.0018117731 -0.0019744329 0.0031643030 -0.0011930942 -0.0000187744 0.0000058929 -0.0000326233 0.0000117256 -0.0000128015 0.0000162230 0.0000165140 0.0000005196 0.0000091961 0.0001892842 -0.0001151672 0.0001294434 0.0004427589 -0.0005633299 -0.0003729431 -0.0024480788 -0.0008780811 0.0007602986 -0.0001768344 0.0027355698 -0.0018867850 -0.0002735644 0.0000909690 0.0004595735 0.0031434661 -0.0043224788 -0.0033658914 -0.0003110920 0.0032164335 -0.0022898564 0.0006709679 0.0022795670 -0.0001318744 0.0014443834 -0.0244864273 0.0159662860 -0.0083623518 -0.0029189231 -0.0153531623 0.0002406913 -0.0002445098 -0.0001971400 -0.0006580806 0.0007907976 0.0023669200 0.0055420729 0.0058063791 -0.0123227507 0.0030455195 -0.0158837674 -0.0145436752 -0.0020759454 0.0009628401 -0.0077794976 -0.0135696186 0.0535851988 0.0535393518 0.0404387526 -0.0611339982 0.0357179939 -0.0021739116 0.0073562383 0.0040983587 0.0183277888 -0.0652779759 -0.0617515471 0.0121305853 -0.0215382091 0.0132699691 -0.0087849257 -0.0468743052 0.0086533541 0.2217411511 0.2046430251 -0.3887708129 -0.1113823132 0.3406925120 0.2953482856 -0.0257041154 0.0278151711 -0.0081777546 0.1086371543 -0.3753126237 -0.2970013240 -0.1390859847 -0.1282002964 0.2964073448 0.3245062744 0.1812419854 0.0895878142 -0.0000492249 0.0000115040 0.0000924664 -0.0001682499 0.0000108579 0.0001026043 -0.0001035611 0.0001048939 0.0002047379 -0.0001325836 0.0001511360 0.0000407539 0.0001154828 0.0002109025 0.0003152353 -0.0005127400 -0.0000050255 -0.0002261784 -0.0002703181 0.0008724185 -0.0004337052 -0.0006733426 -0.0035966381 -0.0028018786 -0.0013878174 -0.0017982309 -0.0027099526 0.0069922404 -0.0128666866 0.0055901819 0.0089024975 0.0341128165 0.0264090004 0.0014717036 0.0003242743 0.0022937321 -0.0059527694 -0.0227981575 -0.0199243210 -0.0113398941 0.0186351540 -0.0067065738 0.0002765707 -0.0000727952 -0.0000253017 -0.0000780093 0.0000557980 -0.0000625277 -0.0014042421 0.0009670643 0.0009996743 -0.0004733364 0.0000028669 -0.0001486228 -0.0007877044 0.0024025634 0.0009742532 0.0063285253 0.0025924963 -0.0018189902 0.0002094655 -0.0042177933 0.0026694419 0.0001485751 0.0008538628 -0.0008404326 -0.0021960712 0.0022267643 0.0019205249 0.0001512257 -0.0114921349 0.0084559698 -0.0013355782 -0.0056094124 0.0007429887 -0.0036866679 0.0613916315 -0.0397174594 0.0174752819 0.0064068265 0.0325836050 0.0007548102 0.0005019711 -0.0019072220 0.0020613945 -0.0017923923 -0.0046947177 -0.0164012516 -0.0140036067 0.0260637975 -0.0074888294 0.0343968582 0.0312741252 -0.0001298773 0.0010160157 0.0012367610 0.0040129231 -0.0147210201 -0.0146912187 -0.0024738562 0.0030216969 -0.0016525114 0.0000485595 -0.0003362092 -0.0004255759 -0.0017169600 0.0050448326 0.0048659886 0.0010424995 -0.0007347707 0.0005339736 0.0003337108 0.0022137887 -0.0002571278 -0.0096597051 -0.0089119212 0.0169080433 0.0054363779 -0.0166743456 -0.0143880536 0.0013938073 -0.0015005401 0.0004593639 -0.0058709187 0.0203098891 0.0160678537 0.0076316991 0.0070129639 -0.0161872976 -0.0178325035 -0.0099567894 -0.0049044606 -0.0003026289 -0.0002010988 0.0006265013 -0.0001455355 0.0002778099 0.0005012773 -0.0004133117 0.0005628998 -0.0001691450 0.0001313357 -0.0003050884 0.0000412516 -0.0002993874 0.0009538302 0.0082312547 0.0521545973 0.0096507472 -0.0019537008 -0.0307528119 0.0601454530 -0.0306702077 -0.0168561350 -0.0825078194 -0.0636498733 -0.0150182927 -0.0171079626 -0.0274029551 0.0764668874 -0.1398063239 0.0621102566 0.0882860061 0.3389991952 0.2619752841 0.0357955351 -0.0044442165 0.0494847382 -0.1174322611 -0.4472176196 -0.3886850082 -0.3038493772 0.4979154615 -0.1835694751 0.0033433357 -0.0025407721 -0.0030416026 -0.0000907403 0.0002437297 0.0000722819 -0.0328841466 0.0299023067 0.0226958722 0.0000339747 -0.0002325954 0.0004116172 0.0012850639 -0.0009672458 -0.0017185426 -0.0008921154 -0.0000036647 0.0001711529 -0.0006201373 0.0048035091 -0.0037560383 0.0003119690 -0.0006003845 -0.0002499792 -0.0036139645 0.0052492876 0.0040984374 0.0002284606 0.0015950917 -0.0010743981 -0.0001760814 -0.0003983875 -0.0000910131 -0.0002377543 0.0037535779 -0.0025173227 0.0021309343 0.0006535996 0.0038055200 -0.0004023688 0.0000258955 0.0006669275 -0.0019426935 0.0005364475 0.0040097506 0.0182142166 0.0155562530 -0.0291690320 0.0046812931 -0.0217186884 -0.0197023967 0.0005531790 -0.0010406449 0.0005012760 -0.0005332750 0.0015948697 0.0017568645 -0.0064867043 0.0102681945 -0.0060665761 0.0000707935 -0.0003164648 -0.0003557637 -0.0010678542 0.0038601548 0.0035016898 0.0002249450 -0.0001219715 0.0001070697 0.0001829404 0.0012550958 -0.0000831642 -0.0055014951 -0.0049783793 0.0094199895 0.0031656305 -0.0097872879 -0.0084974848 0.0005328901 -0.0006441595 0.0001120966 -0.0024513757 0.0084385763 0.0066704265 0.0028392470 0.0025934997 -0.0060018712 -0.0064403756 -0.0035554812 -0.0018155171 0.0000946477 0.0000430489 -0.0002044344 0.0000794490 -0.0001769706 -0.0000824273 -0.0000690065 -0.0002055241 -0.0008221820 0.0000676388 -0.0000202767 -0.0000376265 0.0034976127 0.0034010447 0.0088394833 -0.0010643692 0.0010207208 -0.0018577079 -0.0244584226 0.0462668943 -0.0213360255 -0.0199963531 -0.0928233839 -0.0696595493 -0.0229389208 -0.0344203154 -0.0492635633 0.1142891653 -0.2109955055 0.0904709690 0.1660051215 0.6259743079 0.4856172003 -0.0218379483 0.0148982288 -0.0249191393 0.0458055952 0.1806627360 0.1530039782 0.2182086406 -0.3586500439 0.1352589984 -0.0023892099 0.0018286526 0.0004815552 0.0005879032 -0.0003726333 0.0004209877 0.0134027230 -0.0137968397 -0.0080515866 -0.0000473577 0.0010446289 0.0047720138 0.0245937011 -0.0380985721 -0.0271150202 -0.0157434903 -0.0049008666 0.0013469060 -0.0067985973 0.0348591412 -0.0281248465 0.0105980500 -0.0025173331 -0.0211689175 -0.1346815722 0.1886019053 0.1454250551 0.0169640915 -0.1554206578 0.1086380160 -0.0167052532 -0.0637508278 0.0046660926 -0.0414795590 0.6781038069 -0.4403898900 0.2176993675 0.0761464064 0.4021414095 -0.0016502941 0.0023224107 -0.0010994216 -0.0004077135 0.0009242150 0.0011067849 0.0020862632 0.0019144328 -0.0032802321 0.0028229911 -0.0123465261 -0.0108880592 -0.0003620359 0.0000359394 -0.0013809265 -0.0027499115 0.0104284267 0.0101919206 0.0075396309 -0.0109857932 0.0063822449 -0.0001255641 0.0004107749 0.0003662969 0.0014905575 -0.0045683169 -0.0043662516 -0.0000594718 -0.0005952743 0.0003557417 -0.0003830180 -0.0021780374 0.0002702804 0.0100768276 0.0091191137 -0.0172796598 -0.0052835336 0.0162967758 0.0142326448 -0.0005590845 0.0010129803 -0.0001322688 0.0034125208 -0.0117203919 -0.0092746041 -0.0041049243 -0.0037363586 0.0086366442 0.0070623882 0.0038191013 0.0019847654 -0.0000388663 0.0001754868 0.0005206160 0.0001488343 -0.0006467148 0.0000260563 0.0001076792 0.0007471616 -0.0015546854 0.0018911379 -0.0017094552 -0.0009446474 -0.0000415663 -0.0000844157 -0.0013076346 -0.0081552743 -0.0015018462 0.0000908534 0.0055961475 -0.0104603126 0.0052579930 0.0028665927 0.0129994906 0.0099297401 0.0013063331 0.0014488803 0.0023913990 -0.0065181621 0.0123045220 -0.0055538286 -0.0077426867 -0.0293460759 -0.0225983866 -0.0025645804 -0.0000218988 -0.0036626146 0.0090409603 0.0349972389 0.0299450963 0.0206502602 -0.0342602258 0.0124986550 -0.0003157399 0.0005294751 0.0003586483 -0.0000644565 -0.0000490024 -0.0000360657 0.0052061235 -0.0053615692 -0.0031780073 0.0001393590 0.0003952088 -0.0002844887 -0.0000710793 -0.0001441459 -0.0000009537 -0.0020857538 -0.0007608301 0.0005579097 0.0004899747 -0.0039224994 0.0029272765 -0.0001672444 0.0004207031 0.0000335619 0.0019020225 -0.0026509687 -0.0021124677 0.0000528671 -0.0022064056 0.0015740458 0.0000156052 0.0003177810 0.0000226665 0.0002865877 -0.0033157646 0.0018749397 -0.0008554552 -0.0003991971 -0.0017869344 0.0001996577 0.0007229157 0.0011989996 -0.0375361785 -0.0132050577 0.0734421584 0.4070795204 0.3645693019 -0.6960933509 0.0426849424 -0.2135190681 -0.1894277997 0.0112301837 -0.0263118613 -0.0049759433 -0.0390010560 0.1614122229 0.1634169366 -0.1021200583 0.1537579954 -0.0940703815 -0.0024780394 0.0032881011 -0.0033756329 -0.0015298865 0.0048274320 0.0036418903 0.0365648235 -0.0428546261 0.0309407195 -0.0019389980 0.0024790505 0.0045218055 0.0109177743 0.0112127751 -0.0196417495 0.0126340084 -0.0395808109 -0.0337527157 0.0019075069 -0.0006653533 -0.0019282208 -0.0054963921 0.0192576349 0.0151978809 -0.0052445788 -0.0056733755 0.0118887100 -0.0106817941 -0.0057365691 -0.0038108184 -0.0000809807 0.0002188592 -0.0006254566 0.0008607095 0.0005147482 -0.0021089352 -0.0090444087 -0.0104374237 0.0279622399 -0.0000110040 -0.0001578307 -0.0000823749 -0.0009309858 -0.0000290644 -0.0004917645 0.0079625753 0.0011945257 0.0000969138 0.0025689203 -0.0047047188 0.0023831838 0.0009484437 0.0036522344 0.0024344469 0.0011885341 0.0003449104 0.0018977806 -0.0096827999 0.0167845818 -0.0079698161 -0.0059631116 -0.0202454101 -0.0151865837 0.0012058413 0.0093680764 0.0063731119 -0.0254864818 -0.0950578613 -0.0843450016 0.0108595983 -0.0178547348 0.0080645706 -0.0009940532 0.0001490355 0.0003768131 0.0001686580 -0.0000057578 0.0000002282 0.0061277573 -0.0040212203 -0.0029957836 0.0000113746 -0.0000019224 -0.0000306616 -0.0001740310 0.0002242757 0.0002020952 0.0000179019 -0.0000062501 0.0000027436 0.0000265738 -0.0002284615 0.0001780360 -0.0000428479 0.0001437115 -0.0000281655 0.0004136886 -0.0005673578 -0.0004644728 0.0000909712 -0.0011198003 0.0008005861 0.0000376812 0.0000177633 0.0000857100 0.0000190520 -0.0000213055 -0.0000443128 -0.0005313894 -0.0002100693 -0.0009675654 0.0001074110 0.0000640062 0.0002841333 -0.0072822182 0.0004316751 0.0149861609 0.0720881405 0.0638528240 -0.1212881397 0.0130503661 -0.0648710193 -0.0585749695 -0.0105304318 0.0291416605 0.0164256634 0.0564452373 -0.2496279473 -0.2482949992 0.0658293950 -0.1006241653 0.0614125612 0.0022472884 -0.0052912527 -0.0051302297 -0.0157479889 0.0600693794 0.0535529074 -0.0057206988 0.0044271599 -0.0028831948 0.0341712866 -0.0215823599 -0.0716574952 -0.2534784286 -0.2423587825 0.4367497367 -0.1542018837 0.4985962836 0.4196599934 -0.0029242175 0.0055773626 0.0181469624 0.0268516103 -0.0970065810 -0.0771486045 0.0629694208 0.0598619621 -0.1293495532 -0.0548743396 -0.0290956847 -0.0103135916 -0.0000540776 0.0000491694 -0.0001375358 0.0001745009 -0.0000107353 -0.0005052495 -0.0017043426 -0.0022516876 0.0057881494 0.0000052929 -0.0000175351 -0.0000194505 -0.0001414900 0.0000141907 -0.0000804784 0.0011296469 0.0001575958 0.0000309825 0.0004691866 -0.0008967047 0.0004746240 0.0001372840 0.0005121403 0.0003258444 0.0002529475 -0.0001374091 0.0003145112 -0.0023821624 0.0042072617 -0.0020469451 -0.0007701897 -0.0024603248 -0.0017883839 -0.0000934151 0.0021908361 0.0009478943 -0.0046620489 -0.0170242845 -0.0152156632 0.0056483599 -0.0093728414 0.0037871045 -0.0002415467 0.0001347122 0.0001429750 0.0000290524 -0.0000094380 -0.0000049662 0.0018850651 -0.0018285420 -0.0012670407 0.0000545226 -0.0001544180 0.0001180170 0.0000219796 -0.0001207330 0.0000979611 -0.0004001674 -0.0001880760 0.0000907791 -0.0002373818 0.0020748786 -0.0014477230 -0.0000413820 0.0003685866 -0.0002560975 0.0000168106 -0.0000297121 -0.0000796608 0.0004447417 -0.0042509775 0.0029831064 -0.0001463611 -0.0000647804 -0.0002865552 -0.0000357470 -0.0002422608 0.0001021497 0.0019096649 0.0006667084 0.0033937900 0.0002563837 0.0000979152 0.0005026614 -0.0097619282 0.0026010918 0.0218263754 0.0949724972 0.0839281671 -0.1606637345 0.0200153584 -0.1105856628 -0.0997343965 -0.0215570415 0.0596933134 0.0313257693 0.1179314042 -0.4986689627 -0.5027827990 0.1450755748 -0.2180418205 0.1330893671 0.0189963366 -0.0233530855 0.0165451018 0.0010585348 0.0072369057 0.0077009476 -0.2254719432 0.2805182787 -0.2013956584 -0.0155006687 0.0059025973 0.0314241311 0.1251127328 0.1182189626 -0.2152492759 0.0577298113 -0.1957214707 -0.1630098242 -0.0023981583 -0.0029704674 -0.0065334080 -0.0073413295 0.0272114348 0.0214662425 -0.0217931499 -0.0188616597 0.0418542810 0.0523076902 0.0280666430 0.0133942785 -0.0001556948 0.0000543347 -0.0002674226 0.0003013656 0.0002131186 -0.0017771460 -0.0031343321 -0.0059494672 0.0191686082 -0.0000173495 0.0000150578 -0.0000553477 -0.0005615186 -0.0000009880 -0.0003529041 0.0041970325 0.0006327442 0.0001419240 0.0018561096 -0.0035411993 0.0018177075 0.0006350302 0.0027561358 0.0019559787 0.0006547863 -0.0004291454 0.0007802514 -0.0061480711 0.0109254897 -0.0053227090 -0.0017550985 -0.0056322091 -0.0040753252 -0.0005467925 0.0048469038 0.0016110655 -0.0091003068 -0.0329538311 -0.0296986567 0.0155206381 -0.0254350621 0.0101288555 -0.0003698801 0.0003761742 0.0004521659 -0.0000400095 0.0000243130 -0.0000972393 0.0045843321 -0.0046313436 -0.0029268675 -0.0010878348 -0.0062323535 0.0018882326 -0.0143065279 0.0191284547 0.0168821631 0.0323786572 0.0099763294 -0.0083593764 -0.0052898334 0.0433385867 -0.0305568438 -0.0017447279 0.0073728371 -0.0026413640 0.0145904106 -0.0199403798 -0.0161937328 0.0057397470 -0.0683715780 0.0481689233 0.0029194592 -0.0010933500 0.0065520891 -0.0010477086 0.0278762280 -0.0177916320 -0.0337249232 -0.0124992199 -0.0613196633 0.0009557642 0.0001169226 -0.0021149868 0.0049998805 0.0019627536 -0.0100774129 -0.0571806052 -0.0503686136 0.0967948093 -0.0046833416 0.0269286138 0.0235914694 0.0003504818 -0.0014024963 -0.0013863639 -0.0035573134 0.0159730822 0.0158878033 -0.0003091120 0.0006823279 -0.0003324546 -0.0008151332 0.0009603885 -0.0005512257 0.0000851251 -0.0010628546 -0.0008958274 0.0087125978 -0.0110249206 0.0079464078 0.0002601545 0.0000520094 -0.0004851238 -0.0026178374 -0.0023944266 0.0043994035 -0.0005050945 0.0020347361 0.0015992810 -0.0000842954 -0.0001026829 0.0001516322 -0.0000507553 0.0001257087 0.0001079647 0.0009772794 0.0008645928 -0.0019660504 0.0002577082 0.0001658181 0.0001082771 -0.0001940614 -0.0002900966 0.0006769246 0.0001343997 0.0005037196 0.0009741629 0.0007314934 0.0016800677 -0.0054584439 -0.0000432194 -0.0000730411 0.0001786393 -0.0105723844 0.0055194901 -0.0040361082 0.0815322673 0.0134595306 0.0026530363 0.0444942593 -0.0838742557 0.0429270635 -0.0004688860 0.0017917868 -0.0013712548 0.0111347738 -0.0161485533 0.0101766269 -0.1245243718 0.2200686073 -0.1082172239 -0.0087017304 -0.0234304837 -0.0131318675 -0.0126324096 0.0831566016 0.0226608394 -0.1473500515 -0.5101450745 -0.4622820327 0.3024153912 -0.4856366616 0.1892302723 -0.0038111519 0.0019287500 0.0031780363 -0.0000336985 0.0001737120 -0.0004103551 0.0356890117 -0.0243317512 -0.0186916238 0.0381959004 0.0670451467 -0.0354717042 0.0799106678 -0.1009962134 -0.0889970731 -0.5952584733 -0.1962097857 0.1547455654 0.0632990943 -0.5005466779 0.3604334039 0.0081560191 -0.0304952667 0.0089250513 -0.0711050621 0.0988295269 0.0796483191 -0.0252816562 0.2726472653 -0.1934119825 -0.0057055641 -0.0002510780 -0.0113073985 -0.0007598555 -0.0306967257 0.0190713918 0.0651847365 0.0244616852 0.1186000224 -0.0000237656 0.0002791476 -0.0005421836 0.0006000612 0.0003751876 -0.0011907157 -0.0071632876 -0.0064129169 0.0123461728 -0.0002740251 0.0020437982 0.0018334658 -0.0000380645 -0.0000175668 -0.0001919619 -0.0003748457 0.0014280413 0.0013810538 0.0009967272 -0.0013466386 0.0008272770 0.0001890863 -0.0003031396 0.0000833238 -0.0003131931 0.0009980036 0.0009653733 -0.0021127515 0.0025375173 -0.0018327478 0.0000214055 -0.0000634054 -0.0000612975 -0.0000380853 -0.0000411016 0.0000943949 -0.0002123440 0.0007573467 0.0006415723 0.0000079723 0.0001135056 0.0000839588 0.0003157888 -0.0010997696 -0.0008701657 0.0000137303 0.0000272624 -0.0000336035 -0.0004291707 -0.0002441489 -0.0000978175 0.0000822852 -0.0000007694 0.0002666792 0.0000305096 -0.0000292989 0.0002144265 0.0001253464 0.0004913729 -0.0016191093 0.0000143140 -0.0001478676 0.0000569839 -0.0031500722 0.0024880666 -0.0007865119 0.0238411979 0.0041701846 0.0007017484 0.0150550071 -0.0275629689 0.0139608441 -0.0017050545 -0.0064575819 -0.0055639432 0.0011305695 -0.0018850648 0.0009396667 -0.0125254217 0.0223648947 -0.0114831464 -0.0004781041 0.0004312967 0.0003976157 -0.0011547362 0.0084308438 0.0025092500 -0.0150973059 -0.0535837540 -0.0485495211 0.0294108007 -0.0478216240 0.0187263649 -0.0006518249 0.0005256695 0.0000664534 0.0000074422 -0.0001252872 0.0001576196 0.0055383088 -0.0040681764 -0.0022202162 0.0125168673 0.0141598624 -0.0113748579 -0.0024879476 0.0081187000 0.0017288542 -0.1651950308 -0.0548292706 0.0422259143 0.0147543311 -0.1228207773 0.0881452018 -0.0054149419 0.0198922499 -0.0048744068 0.0509507140 -0.0719736518 -0.0579160979 0.0182406285 -0.1706212718 0.1227145654 0.0315394585 -0.0165537764 0.0712525977 -0.0168610898 0.3387913451 -0.2198234733 -0.3541354704 -0.1361428738 -0.6391638040 -0.0003226596 -0.0004846176 0.0019105554 0.0007473564 -0.0007997198 -0.0015263950 -0.0053277538 -0.0043389572 0.0084440876 -0.0019424678 0.0130410557 0.0114931748 0.0047155271 -0.0119786536 -0.0044410877 -0.0210247609 0.0842488786 0.0857030219 -0.0354989484 0.0566213020 -0.0335271533 0.0177465841 -0.0271780754 0.0063738971 -0.0295999524 0.0945261974 0.0901445318 -0.1825880879 0.2295768554 -0.1655517355 0.0011577029 -0.0031002877 -0.0030933326 -0.0028899186 -0.0023471643 0.0052543564 -0.0104653070 0.0378997299 0.0319349436 0.0018282091 0.0031785732 0.0020661112 0.0056988041 -0.0204586630 -0.0166501467 0.0011456366 0.0009953443 -0.0012351680 -0.0306838364 -0.0166874097 -0.0079394645 0.0002549667 -0.0005028515 -0.0008636213 0.0002033547 0.0003273802 -0.0011954042 -0.0004098704 -0.0030600171 0.0106587343 -0.0004400361 0.0009608570 0.0000671179 0.0033188943 -0.0025172292 0.0009046916 -0.0256386143 -0.0047908204 -0.0006449257 -0.0159264284 0.0292728296 -0.0147377119 0.0019341555 0.0056033450 0.0051348708 -0.0015760589 0.0033517508 -0.0010802789 0.0204231707 -0.0359130173 0.0173349860 -0.0014800349 -0.0047826133 -0.0044935860 0.0005444973 -0.0050839123 -0.0017530424 0.0100552380 0.0347911132 0.0315579206 -0.0167721384 0.0269348129 -0.0105388480 0.0003935018 -0.0002853670 -0.0002105369 -0.0000260277 0.0000437531 -0.0000019366 -0.0034246852 0.0027212792 0.0018508597 -0.0057264325 -0.0064859465 0.0051016996 0.0005320094 -0.0029208145 -0.0002326859 0.0760028222 0.0252256861 -0.0194309508 -0.0066916779 0.0553298779 -0.0397150591 0.0022956510 -0.0085650834 0.0021991250 -0.0213755978 0.0302113842 0.0243545998 -0.0079846815 0.0741938851 -0.0533349664 -0.0136028106 0.0071581901 -0.0306777273 0.0073075459 -0.1460511642 0.0947615340 0.1524225032 0.0586526829 0.2752081997 0.0000300605 0.0003355829 -0.0009957421 0.0024647857 -0.0015491246 -0.0051352609 -0.0210466222 -0.0181073057 0.0344173822 -0.0050487804 0.0338259108 0.0305502701 0.0110035473 -0.0282104402 -0.0108608552 -0.0498144873 0.2012206463 0.2045931656 -0.0816300389 0.1305200874 -0.0770952996 0.0406225045 -0.0623182832 0.0144373809 -0.0684208021 0.2181031677 0.2080577266 -0.4176246491 0.5248853407 -0.3786232898 0.0028275312 -0.0072457392 -0.0074649491 -0.0078222251 -0.0064964766 0.0141183897 -0.0247373512 0.0897644880 0.0756305520 0.0045507649 0.0081360225 0.0055621131 0.0151789673 -0.0539804813 -0.0437281073 0.0037766203 0.0034234678 -0.0050387369 -0.0777848444 -0.0423351286 -0.0201123273 -0.0000424113 0.0001929283 0.0004704221 0.0003375282 0.0007145522 -0.0013226350 -0.0004981407 -0.0042833713 0.0159258008 0.0002025890 -0.0004175329 -0.0000262199 -0.0012070030 0.0012132411 -0.0002140798 0.0093349143 0.0017889545 0.0002055223 0.0064402442 -0.0117595749 0.0059422582 -0.0012794139 -0.0045251248 -0.0038125077 0.0005862602 -0.0013332293 0.0003750432 -0.0079451543 0.0139054495 -0.0066985272 0.0007743828 0.0024167731 0.0021878766 -0.0000792412 0.0021097796 0.0009171223 -0.0046477636 -0.0160641706 -0.0144731210 0.0060560321 -0.0093995083 0.0037043905 -0.0002064812 -0.0000395855 -0.0001405002 0.0000742434 -0.0000550165 0.0000752397 0.0001356862 0.0009019639 0.0003959504 -0.0008816661 -0.0014103589 0.0004696228 -0.0033807694 0.0037344193 0.0033336380 0.0141511191 0.0044186453 -0.0036845584 -0.0009949342 0.0076653051 -0.0056025153 -0.0002937029 0.0007501180 0.0000840346 0.0033813911 -0.0048523932 -0.0037248731 0.0005807166 -0.0045985384 0.0036149496 0.0019651173 -0.0009514250 0.0044254258 -0.0009240931 0.0204328506 -0.0132800860 -0.0220873668 -0.0085284842 -0.0399123498 -0.0002559920 -0.0000281411 0.0005731844 -0.0005609547 -0.0003011799 0.0011516287 0.0069194690 0.0060474391 -0.0116344180 0.0003344921 -0.0023901645 -0.0020553768 0.0000372711 -0.0000394719 0.0000569848 0.0000105643 -0.0001925754 -0.0001613526 -0.0005001754 0.0007165528 -0.0004510115 0.0001184559 -0.0001667703 0.0000379890 -0.0001665250 0.0005822562 0.0005349919 -0.0011365962 0.0014658686 -0.0010630897 0.0000165726 -0.0000135320 -0.0000352290 -0.0001192597 -0.0001046044 0.0001996889 -0.0000793052 0.0002622334 0.0002150677 -0.0000348808 -0.0000511830 -0.0000024378 -0.0000911828 0.0002935192 0.0002283353 0.0001433251 0.0001355160 -0.0003054770 0.0003425786 0.0001972273 0.0000941168 0.0000579122 -0.0000061793 -0.0002006859 -0.0000540507 -0.0001388283 -0.0002039107 0.0000460062 -0.0001711447 0.0007489712 0.0000018240 0.0000578979 -0.0000277039 -0.0692499582 0.0488782593 -0.0157393860 0.5616110590 0.1042331230 0.0117253847 0.3053782496 -0.5590081256 0.2809097224 -0.0412703756 -0.1267728079 -0.1044179519 0.0080530544 -0.0278222124 0.0019253467 -0.1344911651 0.2288239544 -0.1119293790 0.0330236254 0.1067703260 0.0854016173 0.0033180139 -0.0195091001 -0.0049063816 0.0341228470 0.1169928267 0.1040354337 -0.0687702232 0.1133432252 -0.0440836919 0.0010981604 -0.0005124015 -0.0006971418 -0.0001436178 -0.0000472106 0.0001860491 -0.0092925971 0.0061040941 0.0050612249 0.0003169844 -0.0000605955 -0.0001718863 -0.0010794220 0.0018193138 0.0013022699 -0.0026827075 -0.0009277950 0.0007053700 0.0000653488 -0.0001447263 0.0001327183 -0.0000483818 0.0003923136 -0.0002517775 0.0001573487 -0.0002304066 -0.0001790234 0.0004432919 -0.0043704853 0.0030816886 -0.0002763687 0.0000701125 -0.0006003175 0.0000475307 -0.0021697264 0.0014145562 0.0031505196 0.0011765326 0.0057186147 0.0000351552 -0.0000567938 -0.0001221510 0.0003141384 -0.0002655513 -0.0007245073 -0.0027410271 -0.0023165849 0.0043253468 -0.0006418524 0.0055117146 0.0049451465 0.0016511726 -0.0039591269 -0.0015820548 -0.0079669401 0.0290462134 0.0299224402 -0.0108749906 0.0182802421 -0.0112012917 0.0044490111 -0.0067761863 0.0003787280 -0.0081515147 0.0348876258 0.0335727548 -0.0405446769 0.0500550200 -0.0353879772 0.0047992889 -0.0104012289 -0.0121084492 -0.0180246121 -0.0167205779 0.0318270273 -0.0416759889 0.1306143095 0.1094922387 -0.0391516577 -0.0696199636 -0.0447702470 -0.1544744874 0.4992786285 0.3941940487 0.0025010173 -0.0032449792 -0.0241750365 0.6154168477 0.3376921317 0.1626915175 -0.0000076751 0.0000172313 0.0000682357 -0.0000253366 0.0000907776 -0.0001187280 -0.0000098045 -0.0004309604 0.0016907125 -0.0000110881 0.0000235240 0.0000026386 -0.0004442454 -0.0004742100 -0.0003018282 0.0044126524 0.0006934076 0.0000701138 -0.0001625966 0.0001132323 -0.0001101235 0.0010330678 0.0048277131 0.0037019873 -0.0002102538 0.0004600253 -0.0001370978 0.0026980299 -0.0046688171 0.0022898664 -0.0002688887 -0.0008585184 -0.0006901680 0.0000098141 -0.0000372559 0.0000053308 0.0000478201 0.0001567443 0.0001632498 -0.0001548696 0.0003391174 -0.0001462472 0.0000796715 -0.0000510032 -0.0000246779 -0.0000159442 0.0000115196 -0.0000097283 -0.0006116479 0.0005766422 0.0003941045 -0.0009312442 -0.0011064002 0.0009014520 0.0004813083 -0.0022956659 -0.0003571851 0.0116397081 0.0037153522 -0.0028780518 -0.0015506234 0.0104456712 -0.0078035852 0.0009861257 -0.0045227526 0.0018890717 -0.0078083817 0.0112836118 0.0088490155 -0.0040996251 0.0425109607 -0.0303110448 0.0010307886 -0.0012088853 0.0025495304 -0.0007112504 0.0179695425 -0.0116395488 -0.0108812721 -0.0041556148 -0.0191339660 -0.0000742753 -0.0000632284 0.0003369237 -0.0003218532 -0.0001354852 0.0006563361 0.0036386674 0.0033277588 -0.0063403657 0.0003117577 -0.0016713865 -0.0014726018 -0.0000455082 0.0001198061 0.0000226688 0.0001004926 -0.0006831066 -0.0006912764 0.0004715056 -0.0006892989 0.0003858800 0.0000009852 0.0000370192 0.0000439109 0.0001980628 -0.0004315760 -0.0004180110 -0.0000901328 0.0000589296 -0.0000171660 0.0000031771 -0.0001199671 -0.0000442822 0.0003266530 0.0002721961 -0.0004730232 -0.0003684070 0.0010458675 0.0009089914 -0.0002873072 -0.0006484988 -0.0006302276 -0.0016619456 0.0054505279 0.0042782398 -0.0008886949 -0.0008904040 0.0016764837 0.0059468690 0.0032442565 0.0015386482 0.0000749313 0.0000283176 -0.0001442733 0.0000222276 0.0000058667 -0.0002185978 -0.0001264935 -0.0004694733 0.0016951590 -0.0000412181 0.0000864945 -0.0000362700 0.0512369485 0.0598704907 0.0339273955 -0.5358286061 -0.0841705140 -0.0081417740 0.0450093413 -0.0583409637 0.0367071771 -0.1210435969 -0.5700142846 -0.4376798204 0.0149109889 -0.0270681098 0.0115993338 -0.1787970539 0.3071954201 -0.1508390329 0.0091013799 0.0215480399 0.0176115641 0.0014257099 -0.0066349167 -0.0013062364 0.0068923458 0.0305675572 0.0283599331 -0.0286033538 0.0445985582 -0.0162333884 0.0003764751 -0.0003796173 0.0004601845 -0.0003496340 0.0001378871 -0.0001148706 -0.0002769259 0.0005142869 -0.0004663468 -0.0289301398 -0.0071511394 0.0208663373 0.0808635725 -0.1346312212 -0.0920084796 0.2804545882 0.0963512764 -0.0721464418 -0.0194625388 0.1238943664 -0.0930721864 0.0137808709 -0.0685087892 0.0306193593 -0.1062774125 0.1516388971 0.1194131336 -0.0649660356 0.6652909836 -0.4740290056 0.0114336302 -0.0134103476 0.0277674065 -0.0073280357 0.1971214290 -0.1272151950 -0.1184726943 -0.0444622653 -0.2075286411 -0.0001908012 -0.0003480460 0.0010577948 -0.0000508530 0.0000700339 0.0000816802 0.0000972062 0.0001904025 -0.0002903914 0.0001897640 -0.0007648228 -0.0007616791 -0.0000850284 0.0002144496 0.0000563168 0.0001578725 -0.0013012679 -0.0013352703 0.0008696817 -0.0012422927 0.0006812236 -0.0000057222 0.0000346760 0.0000398221 0.0001958605 -0.0004103656 -0.0004242976 -0.0000720625 -0.0000233103 0.0000402127 -0.0000022689 -0.0001192475 -0.0000321586 0.0003879594 0.0003119286 -0.0005689453 -0.0003558222 0.0009982348 0.0008916781 -0.0001754888 -0.0004951737 -0.0005512834 -0.0013751584 0.0045270801 0.0035362182 -0.0009660109 -0.0009556095 0.0018722003 0.0044081287 0.0023879719 0.0011279553 0.0005058550 -0.0001645798 -0.0004175143 0.0001157858 0.0001448791 -0.0003006726 -0.0002409351 -0.0009992086 0.0024382196 -0.0003832474 0.0006811302 -0.0001154896 -0.0023290862 -0.0059091402 -0.0024572547 0.0273994774 0.0039853102 0.0004376014 -0.0101889219 0.0167184013 -0.0092150057 0.0107677282 0.0498708731 0.0375805266 0.0001840686 -0.0005139552 0.0000665721 -0.0024121342 0.0052732697 -0.0019774163 0.0001668550 0.0010417968 0.0013434551 -0.0002801681 0.0031720060 0.0011614380 -0.0057995437 -0.0223700608 -0.0204871919 0.0101727504 -0.0167660502 0.0064109488 -0.0006523055 0.0004046310 0.0000605401 0.0000657018 -0.0000169265 0.0001065558 0.0043776643 -0.0032336263 -0.0018679870 -0.0481816998 0.0468300217 0.0237035680 0.2916584962 -0.4672083345 -0.3422505103 0.2679896840 0.0943871794 -0.0723312666 0.0182252752 -0.1836320459 0.1339710488 -0.0050198084 0.0159376244 -0.0020912107 0.0471021819 -0.0756577749 -0.0619301055 0.0119849776 -0.1171239947 0.0826811115 -0.0005717647 0.0019979111 -0.0024688707 0.0003139655 -0.0242569864 0.0157649964 0.0073117036 0.0028145547 0.0143493968 0.0005525398 -0.0005315507 -0.0005873737 0.0003129550 0.0003164518 -0.0006745676 -0.0043862587 -0.0039777099 0.0076164530 0.0000119507 0.0003380782 0.0003021213 -0.0000763823 0.0001240845 -0.0000400890 0.0000758450 -0.0002503962 -0.0003064924 0.0009947748 -0.0013606207 0.0008349331 -0.0000681726 0.0000986776 -0.0000153852 0.0001276271 -0.0004019226 -0.0003597609 0.0005783335 -0.0008613463 0.0006339062 -0.0000174745 -0.0000031385 0.0000315086 0.0001486404 0.0001301771 -0.0002570638 0.0000451069 -0.0001355196 -0.0001144764 -0.0001186685 -0.0000430262 0.0001176291 0.0001164826 -0.0004596411 -0.0003386138 0.0005725971 0.0005671078 -0.0012730792 0.0007612568 0.0004149839 0.0002264320 -0.0001690254 0.0000769456 0.0002597468 0.0001288815 0.0004214185 0.0003899784 -0.0004380502 -0.0002690035 -0.0007934647 -0.0002237381 0.0000814970 -0.0000746670 -0.0038736276 0.0308117914 0.0054674497 -0.0089414378 0.0015326069 -0.0004179328 0.0983249510 -0.1759882203 0.0933288497 -0.0437972452 -0.1961076237 -0.1542546587 -0.0153744811 0.0446967697 -0.0062170186 0.2228869872 -0.3863591843 0.1896479642 -0.0411933236 -0.1445498485 -0.1158630593 -0.0024198908 0.0108954560 0.0021543311 -0.0181166169 -0.0578225722 -0.0503992539 0.0467435149 -0.0717673350 0.0269061990 -0.0021921204 0.0013908672 -0.0008578807 0.0006217250 -0.0003820163 0.0007146883 0.0131346584 -0.0095166989 -0.0048364062 -0.0375267187 0.0395994653 0.0178399567 0.2351863467 -0.3793746973 -0.2765983160 0.1974939285 0.0695064513 -0.0538758065 0.0166887703 -0.1644698323 0.1200584560 -0.0046861865 0.0157766144 -0.0028833032 0.0429979450 -0.0686134409 -0.0555466794 0.0132120508 -0.1209785846 0.0865840836 -0.0004004058 0.0020095049 -0.0022366141 0.0000154752 -0.0245399276 0.0159584380 0.0057879527 0.0020948573 0.0113545303 0.0004138232 -0.0006390651 -0.0001667933 -0.0002497352 -0.0002531229 0.0004736019 0.0033541755 0.0027658540 -0.0056793338 -0.0001472172 0.0000030275 0.0002158039 0.0000378917 -0.0000930469 -0.0000707242 -0.0001702068 0.0009318816 0.0009337987 -0.0001799841 0.0002733956 -0.0001788265 0.0000712051 -0.0001035567 0.0000137831 -0.0001435227 0.0004847547 0.0004703298 -0.0006514577 0.0007786419 -0.0005591855 0.0000400931 -0.0000812092 -0.0001013772 -0.0001070368 -0.0001211735 0.0002495658 -0.0003309598 0.0010732396 0.0009127049 0.0001170015 -0.0001042399 -0.0003875079 -0.0006730852 0.0022951398 0.0017629955 -0.0012958987 -0.0012746172 0.0027569474 0.0005474054 0.0002825833 0.0000945223 -0.0001803159 0.0001308410 0.0001367984 0.0000729685 0.0003867868 0.0000141357 -0.0005713648 -0.0008562398 0.0020386190 -0.0002537544 0.0001590939 -0.0000901281 0.0053205145 -0.0361133830 -0.0061991866 0.0027238799 -0.0030748852 0.0005790251 -0.1169288264 0.2099193264 -0.1111316487 0.0509725794 0.2277161980 0.1799992322 0.0193151830 -0.0554197013 0.0079298070 -0.2775438902 0.4807124382 -0.2371731719 0.0504969785 0.1783688243 0.1423488378 0.0026969453 -0.0123503795 -0.0024326936 0.0210712831 0.0657342295 0.0581938576 -0.0526412028 0.0798690936 -0.0288312712 -0.0004229308 0.0002894366 -0.0006137356 -0.0001516886 -0.0001448019 0.0006257881 0.0011202792 -0.0010471340 0.0012795010 -0.0001163215 0.0000617633 0.0000961757 0.0007322439 -0.0011937989 -0.0008205254 0.0006908755 0.0002397454 -0.0001902606 -0.0000429922 0.0002015451 -0.0001525215 0.0000318430 -0.0001385286 0.0000525674 -0.0003019008 0.0003996106 0.0003022588 -0.0000923833 0.0012773485 -0.0009145824 0.0000562434 -0.0001039682 0.0001325479 -0.0000886656 0.0012913381 -0.0008301553 -0.0004708625 -0.0001813680 -0.0007965730 0.0000115334 -0.0000208098 0.0000278238 -0.0000197039 -0.0000707914 0.0000592457 0.0010300510 0.0008212593 -0.0014381468 -0.0001827387 0.0000217129 0.0000913119 0.0020958116 -0.0041914110 0.0005685011 -0.0021686270 0.0131453483 0.0135147274 -0.0256556905 0.0366172071 -0.0221118443 0.0001049265 0.0003979542 0.0008997791 0.0011343544 -0.0085342382 -0.0078038259 -0.0015508044 0.0024188714 -0.0022130518 -0.0074216570 0.0015356612 0.0143479387 0.0583407744 0.0576183550 -0.1055294752 0.0253787819 -0.0751941104 -0.0631558505 -0.0551128849 -0.0176888926 0.0710402348 0.0687475959 -0.2625316170 -0.1958756864 0.3342920512 0.3259978443 -0.7308758094 0.2600124437 0.1475302735 0.0808570616 -0.0000129678 0.0000054860 -0.0000159292 -0.0000230213 0.0000536730 -0.0002059221 -0.0003551849 -0.0005656101 0.0022265649 -0.0000155354 0.0000284258 -0.0000096270 0.0001679910 -0.0001038735 0.0000328573 -0.0014528246 -0.0002538325 -0.0000176204 -0.0006613605 0.0012616393 -0.0006457751 0.0000876411 0.0002568717 0.0002278924 0.0001307345 -0.0002955848 0.0000798638 -0.0016925218 0.0029214490 -0.0014354853 0.0001754197 0.0006070138 0.0004956081 0.0000363438 -0.0001929598 -0.0000402605 0.0003335944 0.0009968193 0.0009032239 -0.0007752871 0.0012646897 -0.0004536118 0.0000442110 -0.0000021235 0.0000318879 -0.0000262924 0.0000148762 -0.0000223474 -0.0000185126 -0.0000241951 0.0000409162 -0.0001032039 0.0000024681 0.0000864229 0.0005091221 -0.0009162262 -0.0003972905 0.0008760516 0.0002554755 -0.0002579351 -0.0001121342 0.0005587821 -0.0003540165 0.0000093946 -0.0000894339 0.0000572907 0.0002212176 -0.0001119723 -0.0001729644 -0.0000856808 0.0009273091 -0.0006949554 0.0001082456 0.0002730418 0.0002525613 -0.0003443297 0.0005643442 -0.0000597811 -0.0019836605 -0.0010554241 -0.0042223478 0.0015657796 -0.0041355644 -0.0008198624 -0.0030198697 0.0017618174 0.0022917272 0.0111866618 0.0116020903 -0.0213094187 0.0080550801 -0.0212776375 -0.0161359318 -0.0002138356 -0.0001180056 -0.0000368097 -0.0001735721 0.0005458107 0.0000728117 0.0013332836 -0.0000195276 0.0002983464 0.0011234556 -0.0016858123 0.0008873207 -0.0003874528 0.0020922719 0.0022249763 -0.0131256691 0.0176501482 -0.0119209958 -0.0000587074 0.0000562497 0.0000308912 0.0008504639 0.0006533736 -0.0009104732 0.0000527216 -0.0004262962 -0.0002765539 -0.0001181406 -0.0000882174 0.0001349590 -0.0000055492 -0.0000780673 -0.0000196464 0.0007146642 0.0008001058 -0.0018461779 0.0002108898 0.0002785945 -0.0000199402 0.0000749033 0.0002822841 -0.0006567548 -0.0113369981 -0.0210948594 0.0824863432 0.1318035960 0.2741404996 -0.9475416280 -0.0001800455 0.0003466724 -0.0000062927 0.0000803708 -0.0000176738 0.0000125827 -0.0008543020 -0.0001441608 -0.0000079197 -0.0001691590 0.0004285453 -0.0002178143 0.0000523640 -0.0000350799 -0.0000165212 0.0000936456 -0.0000929840 0.0000494725 -0.0009348738 0.0013785498 -0.0006924824 -0.0002276294 -0.0003803902 -0.0002345824 0.0002276800 -0.0002706449 0.0000609512 0.0009091590 -0.0001919143 -0.0005654920 -0.0019951537 0.0032126791 -0.0010049439 0.0005381748 0.0001940423 0.0007817970 -0.0002915639 0.0003369927 -0.0004836401 0.0021334335 -0.0044730381 -0.0027869114</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">-130.91504486 13.51568147 26.59799462 32.73008690 40.47916497 50.26793950 74.73016204 83.85596118 93.87708975 111.06381372 134.70641208 139.90279675 147.20853305 152.58450520 179.75554579 218.26530476 242.61852064 258.89906243 262.21531822 275.06554702 296.89707342 300.09681506 309.27717332 363.62044223 388.89501455 421.01496349 446.09495597 478.90081302 517.38159502 557.46189328 616.94838318 677.50559306 751.57004386 757.65916942 769.57042014 782.42533341 792.34894882 806.52450988 846.45062207 876.47078487 887.17676265 892.18791185 895.18693747 932.22608151 935.49730431 959.16618854 983.65212066 990.17212621 1006.20298246 1030.34556778 1040.46524730 1077.47960972 1097.61061191 1114.97866616 1127.52669541 1129.85092970 1137.41102143 1143.57963661 1160.25169297 1181.69936741 1199.23836918 1210.73706392 1234.34021962 1268.29460594 1270.65025847 1301.94084946 1306.76641822 1316.12980755 1329.89307043 1331.39626570 1333.41825046 1349.03560681 1376.24488631 1387.24955803 1389.37596501 1396.37572511 1408.02125103 1418.39021086 1421.33323222 1423.51415347 1427.98849432 1439.39015938 1457.46619862 1471.79499754 1475.79223541 1478.37532070 1485.67603858 1486.91375236 1489.12482751 1491.61636764 1492.04477532 1495.61014789 1496.71853868 1500.91023099 1501.87293980 1506.74927904 1533.33843711 1708.66877714 1749.04393772 2883.44858599 2978.73662134 2998.37758432 3001.14396474 3003.59641156 3009.71750923 3010.42267522 3016.59198259 3021.71756978 3023.07293706 3026.29560647 3028.99146568 3057.38013886 3065.98222719 3068.97146561 3077.80449273 3079.78866190 3088.19770252 3088.36556197 3090.98956341 3101.52356386 3103.55524091 3104.77950141 3117.47730639 3119.03837594 3122.83138646 3192.09163324</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="126">6.42530179 3.60778282 2.56430256 3.27213501 2.34323210 3.40838426 2.51012757 3.11812881 3.92278572 3.31994417 2.47607304 3.77263569 3.10404628 3.40371971 2.66660639 2.12558082 2.03426363 1.13045149 3.33615796 3.86321085 1.58352362 1.53536351 1.59320046 3.07278503 2.78175910 2.57504970 2.60864211 2.73839476 2.40301101 2.73221410 2.80166107 3.16630185 1.20913520 1.15017559 1.17961562 1.68332811 2.73737540 1.74194961 1.48983050 1.35888437 2.39586610 2.34705730 1.96039983 1.66585418 1.75682445 1.65172825 1.28024904 1.95376434 1.59689419 1.65245808 1.71427591 2.25837134 2.45212463 2.08248981 1.99900338 1.90545756 1.94127490 1.75085334 1.85587142 2.19014806 1.83278780 3.12685679 1.47395391 1.31972865 1.30161680 1.23137860 1.23491146 1.34421749 1.14294751 1.09914152 1.19057341 1.24790646 1.39493664 1.35784911 1.36440241 1.34835912 1.25402876 1.60472003 1.48789979 1.39450059 1.38269448 1.31346352 1.09448322 1.17363776 1.11410221 1.08561439 1.07545260 1.06091267 1.05896258 1.08054129 1.09161385 1.09397725 1.10166796 1.08128505 1.06626408 1.89703508 1.06522875 8.39980279 9.89079363 1.08691375 1.06727447 1.03947065 1.06815013 1.06661749 1.06587487 1.03981593 1.05022094 1.05207026 1.06495955 1.06933510 1.06299021 1.09612201 1.10357570 1.09708401 1.10200951 1.10184583 1.10316642 1.10040627 1.10371008 1.10401862 1.10167006 1.09893184 1.10431217 1.10268474 1.10328045 1.08941990</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">0.0318659031 -0.0286410163 -0.0101939345 0.0445977773 -0.0490380875 0.0184841317 0.0332502235 -0.0225584323 0.0018553135 0.0306566436 -0.0431434865 -0.0301098788 0.0261512777 0.0060240002 -0.0151281599 0.0342595181 0.0237987536 -0.0313916659 0.0168052920 0.0214147524 0.0085187655 0.0239099638 -0.0010778354 -0.0268573322 0.0344926408 -0.0276278660 -0.0646017549 0.0399510569 0.0252463854 -0.0424549123 -0.0402102094 -0.0294182809 -0.0075263515 -0.1004923787 -0.0780893321 -0.0023490283 -0.0411770268 -0.0928857444 0.0215170777 -0.0532964264 -0.0885845542 0.0246761075 -0.1356701133 0.0486733228 -0.0295014058 -0.1808812072 0.0836501684 -0.0748882210 -0.1146416516 0.1030182676 0.0356371732 -0.1078964713 0.0103783416 -0.0313893861 -0.1086561835 -0.0104716255 -0.0079588357 -0.0748689348 0.0109209020 -0.0690731465 -0.0980810350 -0.0023270676 -0.0232820662 -0.0976194316 -0.0026021078 -0.0226334301 -0.0910419588 -0.0023731820 -0.0206361017 -0.0943177980 -0.0051930012 -0.0290571416 -0.0911487529 -0.0004816280 -0.0334724402 -0.0869849209 -0.0108071662 -0.0283013251 -0.0967800899 -0.0005803519 -0.0306838638 0.1118989968 0.0493755924 -0.0103031152 -0.2701776341 -0.2232966344 -0.0421613210 -0.1209545056 -0.1318353338 0.0039582721 0.0192021838 -0.0418342335 -0.0067798735 -0.0213559907 -0.0398698186 -0.1018445086 -0.0091372683 -0.1095798321 -0.1981572622 -0.0105979680 0.0116697996 -0.0116371637 -0.1441339768 0.0007328603 -0.1175209281 0.1089097974 -0.0630346876 -0.0599414905 0.0942008681 -0.1207450838 -0.1591814087 0.2477109618 -0.1101038969 -0.0489027845 0.0865109813 0.0633661481 0.1071228884 -0.1055137084 0.0455271280 0.1784734733 0.1111679077 0.0950549624 0.1554997782 0.2476878059 0.1784788865 0.1592365691 0.1742997207 0.1472719011 0.1301874741 -0.0205752095 -0.1015732929 0.0918902976 -0.0378934427 -0.0412475126 -0.0331243503 -0.0027470655 -0.0400027225 -0.0040440581 -0.0343782434 -0.0634446466 -0.0486970414 -0.0475632404 -0.0604415832 -0.0576550968 -0.0770739216 0.0124035717 -0.0223516665 -0.1105376446 0.0178460284 -0.0580379932 -0.0733880759 0.0331918555 0.0057414787 -0.0806065170 0.0369696611 0.0009376075 -0.0875963958 0.0237860779 -0.0195092244 -0.1103211368 0.0689262745 0.0103046092 -0.0366912330 0.0621121967 0.0750533481 0.0082581480 0.0847303996 0.1488873466 0.0187815183 0.1744556141 0.2014302094 -0.0464170907 0.0201894499 0.2065810897 0.0488983294 0.0645135928 0.0578349800 0.1175292128 0.1315531722 0.0077774243 0.0328725609 0.0779655604 0.0982297378 0.0304528586 -0.0576261194 -0.0219993632 -0.0564163517 -0.1195312239 0.0155429448 0.0499997030 -0.0545534284 -0.0393944758 0.0966072002 -0.1086366434 -0.1303833598 0.0763296507 -0.1862789216 -0.1846291180 0.1854157494 -0.0547727495 -0.1614288301 0.0789104393 -0.1300322373 -0.1343997016 -0.0084666664 -0.1801081759 -0.1029573441 0.1069694590 -0.0556121959 -0.0885037839 0.1239255019 -0.1717835486 -0.2150701228 -0.0884216393 0.0740552067 0.0713809329 0.0242127858 0.0722111410 0.1076928393 0.0494342842 0.0605521419 0.1079191197 -0.0392645683 0.0401278085 0.0384293724 -0.0374148116 -0.0687309625 -0.0851203898 -0.0213694210 -0.1582640166 -0.1386825777 0.0092142835 -0.0086472839 -0.0186342522 -0.1449923211 -0.0236393232 -0.1127938671 0.0194425818 -0.0864960867 -0.0664033328 -0.0260461659 -0.1457395293 -0.1338346716 0.1265038378 -0.1360014523 -0.0415000140 -0.0017689585 0.0362780172 0.0066606402 -0.1068032812 0.0874878118 -0.0168720148 0.0548949644 0.0985012314 0.0755562466 0.0392794920 0.0201945703 0.0207968423 0.0620064200 0.0026532487 -0.0117719897 0.0791546445 0.0407363757 0.0611716986 0.0166706287 0.0528732346 -0.1733088096 0.0413905540 0.0759863192 -0.1834805316 -0.0149835495 0.0640684027 -0.2821319484 0.0971737681 0.1058307475 -0.1143199592 -0.0749938723 -0.0670966439 -0.0829740293 -0.1144223902 -0.1209845290 -0.0478991463 -0.1266782977 -0.1288022481 -0.1604235573 -0.0517774308 -0.0481974226 0.0659976241 -0.0023581840 -0.0076856743 0.1256839704 -0.1227880749 -0.1175587909 0.1191703236 -0.0237887128 -0.0256414649 0.0435906293 -0.0009248282 -0.0057036108 0.0066931603 0.0098684249 -0.0233152222 0.0034240291 0.0018101842 0.0061782942 -0.0057447996 -0.0020766113 0.0033035030 -0.0015263756 0.0019129769 -0.0148929539 0.0175750931 0.0152394321 -0.0004882628 -0.0271939782 -0.0259504426 0.0374554487 -0.0021600373 -0.0508253321 0.0620989453 -0.0366405710 -0.0340651741 0.0605313061 0.0392706932 -0.0084775967 0.0109301456 -0.0127509354 -0.0365315915 0.0514430842 -0.0067229318 0.0175410775 -0.0218924850 0.0356720937 0.0126940573 -0.0251802187 -0.0932830096 -0.0105804475 0.0081256641 -0.1450307697 0.0437210709 -0.0721563098 -0.1002723389 0.0221134199 -0.0397504159 -0.0987119845 -0.0488061415 -0.0666712079 0.0382018973 -0.0189058188 -0.0101861017 0.0251039107 0.0002384469 0.0264950002 0.0388155211 0.0018522829 -0.0021251895 0.0643364790 0.0338990526 0.0646213239 0.0278479800 0.0050921987 0.2307874838 0.0526536569 -0.0805920402 -0.0640780141 -0.0988224801 0.1917075428 -0.0444117190 0.1236224445 0.0149694677 0.1506192606 0.0374247380 0.1243504544 0.2752779872 0.1630051736 -0.1401852442 0.2674291094 -0.0556154055 0.0534354632 -0.0717824815 0.0062759576 0.1951578513 -0.1875280425 0.0895502606 -0.0668658535 -0.1942198401 -0.1137126598 0.0679720843 0.0023580395 0.0246065366 0.0503956954 0.0044499350 0.0357667967 0.0653131300 0.0106314772 0.0028592284 -0.0170454423 0.0942103094 -0.0288701550 -0.0441632191 0.0675404777 -0.0153883367 -0.0260023098 0.1294217482 -0.0166034666 0.0056838234 0.0865603341 -0.0430630446 -0.0001458910 0.0897119826 -0.0384228682 0.0184068829 0.1024788593 -0.0387132188 -0.0074968223 0.0917325960 -0.0347183960 0.0056222698 0.0652109784 -0.0514953920 0.0176001462 0.0596870354 -0.0613416278 0.0126089137 0.0681336798 -0.0556576839 -0.0326528670 0.0394900271 -0.0388752440 -0.0414036924 0.0289127524 -0.0137848241 -0.0599185025 0.0372754814 -0.0206748681 -0.0406762577 0.0245627327 -0.0090331902 -0.0429317512 0.0092865674 0.0084435583 -0.0433077984 0.0176185860 0.0001177718 -0.0688667355 0.0021836802 0.0246486376 -0.0082654764 -0.0157582503 0.0226761398 -0.0242952501 -0.0219332693 0.0239846534 0.0249219650 0.0061105811 0.0158281122 0.0079799139 -0.0628102943 0.0443058603 0.0373480176 -0.0769762252 0.0536067121 0.0271760313 -0.0567204904 0.0441599247 -0.0352961143 -0.1007363110 0.0545404075 -0.0588401880 -0.1086929659 0.0558730283 -0.0613600241 -0.0870881169 0.0488018044 -0.0193924909 -0.1359641185 0.0667034397 -0.0571620107 0.0329155234 -0.0408910568 -0.0218432219 0.0369663393 -0.0296095845 0.0014375547 0.0394657740 -0.0256053643 -0.0081102042 0.0470581484 -0.0450630646 0.1796367996 -0.2451939637 0.0644786020 0.1732009436 -0.2124208440 0.1272586940 0.1930361516 -0.3332521737 -0.1206788456 0.2608548500 -0.3597188859 0.1887442896 0.0694163826 -0.0361100217 0.0628358192 0.0491623226 0.0392238981 0.2375552825 0.0001744600 0.0717455974 -0.0494245382 0.0731902148 -0.0638999946 -0.0149616678 0.1335415524 -0.1256642151 0.0351727378 0.0759892698 -0.1056698779 -0.1259505653 -0.0069855901 0.0365258145 -0.0168695232 -0.0674094183 0.0573388965 0.0544796926 -0.0103311212 0.0798674687 -0.0965009030 -0.0258579522 -0.0564312285 0.0265682920 -0.0205033305 -0.0514970846 0.0240928045 -0.0114133295 -0.0770720900 0.0553443908 -0.0625284907 -0.0678301045 0.0169459069 -0.0043386545 -0.0199761741 0.0031521372 -0.0043028384 -0.0172959273 -0.0002529398 0.0235763709 -0.0061684255 0.0183176443 -0.0186850285 -0.0019361627 -0.0359062888 -0.0465139924 -0.0126995127 -0.0501975681 -0.0019322677 0.0223256155 -0.0502510338 0.0038067615 0.0137190415 -0.0337577350 0.0054383351 0.0124836460 -0.0351191824 -0.0071963425 -0.0336026919 -0.0660614381 0.0462271047 0.0435974052 -0.0597034584 -0.0213688719 0.0234898693 0.0269738017 -0.0604543504 -0.0451415203 0.0854747634 -0.0035205735 -0.0000752601 -0.0323849013 -0.0251602145 0.1473932161 0.0913484388 -0.0829617360 0.2470428438 -0.0347200323 -0.0091567917 0.2528660891 0.2202784837 0.0222184688 0.0117802666 0.1521525913 -0.0207823036 0.1849267865 0.2221702973 0.0903663315 -0.1315747541 0.3468238873 0.0441754947 -0.1642702276 -0.1222480812 -0.0149185462 -0.0188574631 -0.3322233449 0.0950308443 -0.3685751691 -0.1906101182 0.0715536298 -0.2436308326 -0.0638764788 0.0280882681 0.0297724913 -0.0309032989 -0.0036579987 0.0072214657 -0.0318199224 -0.0131344304 -0.0011931211 -0.0357329450 -0.0202811426 -0.0020291573 -0.0374242673 0.0053885651 0.0428888703 0.0224542936 0.0117037354 0.0058656207 0.0222210173 0.0302919588 0.0859170360 0.0792902073 -0.0299635467 0.0884973972 -0.0261817482 0.0106149954 -0.0202180767 0.0119036334 -0.0105006759 -0.0589850143 -0.0415380848 0.0419299532 -0.0648912826 0.0574861158 0.0028807951 0.0233885556 0.0114129095 -0.0240200445 0.0540145188 -0.0141075018 0.0257740950 0.0512411125 0.0458636853 -0.0005780685 -0.0075405359 0.0013973437 -0.0045024285 -0.0252806638 -0.0113342499 -0.0040952447 -0.0190814853 0.0139232461 0.1070315591 0.1274745302 -0.0713292371 0.0743232127 0.0653348468 -0.0130137370 0.0703855501 0.2115073206 -0.1019568331 0.2001882829 0.1036048759 -0.1186075389 0.0726247946 0.1303363035 -0.0498873221 0.0904745817 0.1821750195 -0.1010733630 -0.0042550305 0.1482354553 -0.0138957010 0.1132670956 0.0385104872 -0.0110461846 0.1895894855 0.0388556628 -0.0184775994 0.0981470754 0.0118949191 0.0032807667 0.0108423896 -0.0408300134 0.0424069078 0.0099561159 -0.0493191146 0.0635720690 0.0219956963 -0.0432006383 0.0741936681 0.0075069605 -0.0551546136 0.0693055119 0.0139538226 -0.0291258104 0.0398342813 0.0147656835 -0.0697974113 0.0805516295 0.0633404993 -0.0321602925 -0.0184983849 -0.0551590118 0.0632984728 0.0343517226 -0.0561410675 0.1147604834 -0.0212319341 -0.1122363043 0.0670777474 0.1045200090 -0.0624904733 0.0951485109 0.0085626604 -0.1503702467 0.2067203347 0.0187111389 -0.0646725799 0.0148289342 0.1028310764 0.0428636949 0.0902832166 -0.1511383749 0.0652079227 0.1808970886 -0.2595006478 0.1245617961 -0.0424665659 -0.1733136618 0.0216323760 0.1275047863 -0.1477017653 -0.0361347118 -0.0322676090 0.0397622145 0.0119354737 -0.0509824571 0.0604407532 0.0147816908 -0.0619570926 0.0574959015 0.0775171354 -0.0141981428 0.0175509673 -0.0866321209 -0.1474977171 -0.0385450965 -0.0796432796 -0.1854040748 -0.0704657390 -0.0660623113 -0.1467882793 -0.0595577827 -0.1318223437 -0.1652048495 -0.0031605147 -0.0646755403 -0.0812587016 -0.0167305796 -0.0918742840 -0.0902769984 -0.0054471412 -0.0123509790 -0.0733026796 -0.0453958814 -0.0747857655 -0.0172305627 0.0218216757 -0.1248645679 0.0229106297 -0.0058800526 -0.0456063405 0.0198312446 0.0699515561 -0.0602220681 -0.0530483409 0.0227337896 -0.0296445415 -0.0418700489 0.0111539829 -0.0474120345 -0.0505196846 0.0449603308 0.0225123210 0.0641709790 -0.1576150995 0.0222299750 0.0568212228 -0.1464216065 -0.0222204311 0.1144507559 -0.2639999319 0.1362923207 0.1043612289 -0.1210031938 -0.0673836056 -0.0482953437 -0.0698864356 -0.1041383067 -0.0937604102 -0.0429558759 -0.1318656431 -0.1038777276 -0.1363151298 -0.0399931367 -0.0360502337 0.0817130215 0.0086068879 0.0192391536 0.1639915997 -0.1047334728 -0.1301870000 0.1364593547 0.0381057221 0.0149846142 0.0168117536 0.0157935340 0.0061122543 -0.0915410694 0.0258435545 -0.0443735086 -0.1119027406 0.0089673732 0.0473895272 -0.1385419019 0.0187542111 -0.0263035302 -0.0684948492 0.0211213335 -0.0576585454 -0.0369176591 0.0058347084 -0.0530797613 -0.0995993443 0.0380012234 0.0089669408 -0.0340343860 0.0535264277 0.0325129289 -0.0540840767 0.0500784155 0.0278108438 -0.0221306433 0.0285765511 -0.0099979274 0.0197241753 0.0698180932 -0.0123040362 0.0423314667 0.0114249471 -0.0104707167 0.0139170692 -0.0125423911 -0.0262477004 0.0573381706 -0.0058450067 -0.0342700613 0.0701201213 -0.0523288483 -0.0136047358 0.0448646648 -0.0118585288 -0.0426103992 0.0873865561 0.0902000554 -0.0034832914 0.0192319807 0.0053269102 0.0346647710 -0.0263759952 -0.0472366153 0.0484259926 -0.0300309562 0.0011872514 0.0231163438 0.0559460061 0.0003291751 -0.0321241362 0.0508071444 0.0317349142 -0.2145866825 0.0349693138 0.1314892990 0.1052141889 0.1763760238 -0.1649498425 0.0812573482 -0.0484014886 0.0058467116 -0.1150558047 0.0360612595 -0.1052611862 -0.2372542188 -0.0849519498 0.1534391868 -0.2299685430 0.1294505425 -0.0327668482 0.1043777173 0.0542213763 -0.1652771444 0.2117582486 -0.0232880020 0.0862504447 0.2225241994 0.1654872698 -0.0552644188 0.0324565240 0.0306647018 -0.0547678845 0.0140990337 0.0159344667 -0.0689045942 0.0083379759 0.0470709318 0.0847160268 0.0193454019 -0.0027332441 0.1040567028 -0.0049283924 0.0475796679 0.0729708405 0.0299974522 -0.0350587327 0.1154856260 -0.0085867874 -0.0455321968 0.0252314219 0.0713578362 0.0214673849 -0.0039498981 0.0931551255 -0.0318109454 0.0015474806 0.0943379590 0.0563622734 0.0357114115 0.0637556461 0.0604851493 0.0592229097 0.0759704268 0.0782225346 0.0208381769 0.0395066632 0.0745143809 -0.0521429033 0.0054582084 0.0216447681 -0.0555679444 0.0110986046 -0.0050183389 -0.0593434341 0.0157144552 -0.0060583518 -0.0659522617 0.0112257421 -0.0079599337 -0.0504006101 -0.0048594043 -0.0102930561 -0.0348470877 -0.0155300689 0.0043845541 -0.0493353618 -0.0155429747 -0.0297149754 -0.0611309806 0.0072147868 -0.0112979962 -0.0717617543 0.0154165658 -0.0234744824 -0.0622593311 0.0170680027 0.0042413196 -0.0551460994 -0.0057260429 -0.0130619175 -0.0448314863 -0.0207157336 -0.0152410612 -0.0462400695 0.0041021330 -0.0213470800 -0.0742111621 -0.0150586623 0.0007806805 -0.0959095142 -0.0329703253 0.0156155641 -0.0806519012 0.0115392626 0.0096298395 -0.0616858186 -0.0318350028 -0.0114955198 -0.1257841620 -0.0592588898 0.0114611846 -0.0420655074 0.0263177923 0.0030492514 0.0027746852 0.0725016101 0.0232248463 0.0392817262 0.0737351408 0.0512657416 0.0973779680 0.1600942734 0.0452090550 0.1111460081 0.0757083741 0.0826970433 0.1595638157 0.3129641070 0.2756184763 0.0289443305 0.3449218568 -0.1734472647 0.0927573820 -0.1480786536 -0.0179671822 0.0704285688 -0.2581425661 -0.2154394332 0.1249238800 -0.3073061192 0.1721686332 0.0807723324 -0.0918804932 -0.0580648903 0.0571138775 -0.0839122039 -0.0598400798 0.1268918720 -0.0665414247 -0.0678383696 0.0470632029 -0.0478070509 -0.0586204540 0.0025556416 -0.0763222428 -0.0458855246 0.0843794272 0.0034091018 -0.0765118090 -0.1307875575 0.1081462022 0.0004752204 -0.1920613387 0.1023304453 -0.0449996240 -0.1355067069 0.1521566936 0.0418916298 -0.1175407847 0.1394050518 0.0407310384 -0.0431149724 0.0140251213 -0.0306823140 0.0411622982 0.0327718212 0.0183358388 -0.0730551319 -0.0101435262 -0.0600443745 -0.0208851665 -0.0726169450 -0.0747140003 0.0150276240 -0.0890479798 -0.1050929731 -0.0004176556 -0.0643471274 -0.0877802790 -0.0208809343 -0.0779711260 -0.0053271794 0.0362150436 -0.0563182560 0.0686629234 0.0271530534 -0.0168892289 0.0833824133 0.0280349026 -0.0844556293 0.0973313092 0.0444654818 -0.0532942243 0.0571266111 0.0458650180 -0.0405756832 0.0448528165 0.0484685166 -0.0442699783 0.0689922630 0.0361587744 -0.0614994125 0.0443815018 0.0694362674 -0.0743108192 0.0691794281 0.0090879963 -0.1015544419 0.0193090239 0.0063029267 0.0136593155 0.0228538077 -0.0600782951 0.0817795634 0.0216372174 -0.0316355527 -0.0290291243 0.0594034090 0.1067980258 0.0671716984 -0.0489940214 0.1924648515 0.1408372447 -0.1112648716 0.1534813766 -0.0431494546 -0.0766515643 0.0546357185 0.1464238498 -0.0168767041 -0.0642377968 -0.0640738942 -0.0073750184 0.0521963105 -0.0630239761 0.0304437216 0.0868259844 -0.0670468086 0.0344961498 -0.0637396560 -0.1319963905 -0.0487287930 0.0798566803 0.1068026223 0.0469821220 0.0958040312 0.0092855012 0.0957408151 0.1649967605 0.2297226309 0.1942391092 0.0164661469 0.2404995769 -0.1074636250 0.0393295568 -0.0837560407 -0.0070165336 -0.0065078165 -0.1673000160 -0.1251156439 0.0706654955 -0.1970378104 0.1245386984 0.0239205896 -0.0016849144 -0.0589097087 -0.0075579972 -0.0051670840 -0.0458708109 0.0928069989 0.0256391926 -0.1005295221 -0.0401457225 0.0910085085 -0.0501390803 -0.0300407871 0.2253346130 0.0616246917 -0.0975201335 0.0947825684 -0.1621609149 0.0407771883 -0.1495933698 -0.0337400442 0.0901551188 -0.1100477233 -0.0437830973 0.0655003692 -0.2239260583 -0.0351005418 -0.0257472612 -0.1515695485 -0.0260335289 0.0122299837 -0.0990552425 -0.0292126905 -0.0528307782 -0.1451286751 -0.0257554096 0.0756750027 -0.0945036753 -0.0326585878 -0.0233788101 0.0188736326 -0.0061469659 -0.0906501069 0.0087208984 -0.0151585320 -0.0641082465 0.0730357020 0.0046308047 0.0460910489 0.0670922204 0.0286603558 -0.0817412746 -0.0394918630 0.0538601640 -0.1242913223 0.0163004397 0.0579893803 -0.1571244609 -0.0611570460 0.0603598818 -0.0376287554 -0.1539351699 0.0433300967 0.0247699548 -0.1830793217 0.0868541907 -0.0582078514 -0.2050006422 -0.0186761621 -0.0685865396 -0.1238616923 0.0359911142 -0.0103883117 -0.1162193942 0.0470808783 -0.1249419524 -0.1758891595 0.0282353097 -0.1297588344 -0.0052657259 0.0262610073 -0.2175393100 0.1129940228 0.0400253214 -0.2070641171 -0.0819932668 0.0884496485 0.0094707979 0.0696263874 -0.0756317263 0.1593681236 0.1941201090 -0.1791553075 0.0561462881 -0.1161254576 -0.1367323913 -0.0781916142 0.1880314418 0.0079254475 0.0376830170 0.0838857727 0.0299002689 0.0185734693 0.0412629732 0.0418089839 0.0369296439 0.0180322599 0.0381573342 0.0727619393 0.0800193925 0.0173478817 0.1120751698 -0.0254513925 0.0399087247 0.1203014891 -0.0780444462 0.1121709630 0.1884365638 -0.0150025047 -0.0220825910 0.1195092355 -0.0366851806 0.0520279880 0.0074274332 0.0392982344 0.0114654453 -0.0576173175 0.0281973787 0.0643808791 0.0097929116 0.0448390896 0.0038668882 -0.0059396208 0.0986049435 -0.0428525596 -0.0209555618 0.1293522921 -0.0729178324 0.0289184406 0.1314275037 -0.0156132314 -0.0206480063 0.0543865755 -0.0540827193 0.0000928673 0.0412183806 -0.0795073060 0.0010034438 0.0646413717 -0.0282503571 0.0468483378 -0.0532798947 -0.0243662385 0.0458137321 -0.0350796779 -0.0491772498 0.0504063016 -0.0667171533 -0.0271170346 0.0356557263 -0.0343220909 0.0029220877 0.0504668616 -0.0822434110 -0.0196026103 0.0403160364 -0.1117354172 0.0097913078 0.0704683089 -0.0994334833 -0.0471870704 0.0386260199 -0.0448485381 -0.0095245323 0.0191766372 -0.0465086585 -0.0099135676 0.0265294424 -0.0318826582 -0.0058064361 0.0319187164 -0.0370399515 0.0048867023 0.0277909183 -0.0088343823 0.0883616926 0.0319029160 0.0234566278 0.1073174407 0.0756145060 -0.0418176900 0.1358309229 -0.0040722053 0.0957666362 0.0681231538 -0.0417755626 0.1010294194 0.0541292561 0.0623497171 0.1419110314 0.0720759587 -0.0772937211 0.1193414419 0.0260827381 -0.1854006640 0.1366015891 -0.0289370861 -0.0865226492 0.1705597201 0.1091784495 0.0098386115 0.0155625672 -0.0736996590 0.0476804181 -0.1503698863 -0.1425869889 0.1396180275 0.1285257396 -0.1593547445 -0.1069541425 -0.0440300515 0.0126500257 -0.3847669338 -0.2519649922 0.1748425386 -0.0752473193 0.2616369529 0.1626834933 0.0419947465 -0.1945606178 -0.2292872997 0.0221574822 -0.0297622696 0.0059880699 0.0176075615 -0.0572150935 0.0237415889 0.0515375963 -0.0733970193 0.0238588674 0.0662642639 -0.0256901960 -0.0030639059 0.0557412619 -0.0053082494 0.0445270144 0.0618104260 -0.0460228585 0.1201093852 0.1205119150 0.0173117496 0.0186123600 0.0706870777 0.0072173099 0.0239060126 -0.0404533781 0.0016133083 0.0071376116 -0.0872857923 -0.0119743803 0.0325677831 -0.0542010658 -0.0101696518 0.0267388050 -0.0474833895 0.0381895372 -0.0558611431 -0.0480291083 0.0519165707 -0.0717048241 -0.0165540659 0.0583869734 -0.0535882980 -0.0695900807 0.0284258160 -0.0598424119 -0.0331967940 0.0865580366 -0.0381548248 -0.0908901778 0.0173792171 -0.0790964184 -0.0403871853 0.1732404459 -0.0022871867 -0.0859461653 0.2133223597 -0.0974865883 -0.0608473326 0.1989508591 -0.0495275722 0.0154218509 0.2662305367 0.1158804996 -0.0121811850 -0.0401480469 0.0370640981 0.0151576737 -0.1239664849 0.1673557504 -0.0186738895 -0.1417260830 -0.1015404747 -0.0092080685 -0.0312821843 0.0739490294 -0.0011837953 0.0143539830 0.1450217659 0.0068475923 -0.1193654908 0.0816102162 0.0562739997 0.0347330352 -0.0270706355 -0.0400305492 0.0210066754 0.0679214489 -0.0784430998 0.0541816452 0.0630662943 0.0308563442 -0.0116037762 0.1210247970 -0.0922426970 0.1091633784 0.1185567408 -0.1766063600 0.2300368929 -0.0231486466 -0.1162603960 0.1986853064 0.2962949447 -0.0369464149 -0.0686105179 0.0684822207 -0.0364539208 -0.1813054304 0.1885860282 -0.0103243428 -0.1375564853 -0.0572442336 -0.0320192122 -0.0252194315 -0.0119865292 -0.0870769912 -0.0355769970 -0.0497542423 -0.0167019113 -0.0135640234 -0.0203415811 0.0305859953 0.0146336525 -0.0484103400 0.0615021676 0.0416830321 -0.0713684890 0.0709397833 -0.0268673930 -0.0482368469 0.0094831259 0.0581892971 -0.0579631632 0.2422313445 0.1082343711 -0.0069305783 -0.0357047775 -0.0243508946 -0.0267499319 -0.0464390962 -0.0859142852 -0.0463995312 -0.0471291940 -0.0039834676 0.0036538959 0.0185137356 0.0192921025 -0.0222905628 0.0108560704 0.0633467088 -0.0028160503 -0.0117838564 0.0140564059 -0.0000288514 0.0608185145 0.0329630631 -0.0516763161 0.0118223904 -0.0440146997 -0.0362045372 0.0422343696 -0.0361992189 -0.0571969553 -0.0256189634 -0.0537108957 -0.0103368535 0.0199923943 -0.0954401957 -0.0631354355 0.0605749824 -0.1193104438 -0.0500385083 0.0027977082 -0.1202712478 -0.1005535551 -0.0084689684 -0.0706728438 -0.0686188723 -0.0444111436 -0.0925916186 -0.0539544242 0.0174616418 -0.0346468582 -0.0799991648 0.0989816850 -0.0940984851 -0.0267295524 0.1312485192 -0.0703792409 -0.0303682682 0.1057127023 -0.1344685184 -0.0532672964 0.0798099590 -0.0832674172 -0.0095072350 0.0559586269 -0.0906670523 -0.0014960060 0.0014482378 -0.1420798550 0.0178815616 0.0985596596 -0.1061328005 -0.0313028705 0.0275512135 0.0078477841 0.0374386738 -0.0169569887 0.0278267434 0.0755808666 0.0085938115 -0.0024623152 0.0503235731 -0.0347137683 -0.0074464143 -0.0564054369 -0.0130584976 0.0458539421 -0.0251638440 -0.0261985595 0.0304118582 -0.0422552708 0.0804163178 0.0440871030 -0.0006204603 -0.0742105308 0.1614676388 0.0424530868 -0.1824217304 0.3136905860 -0.1352090989 -0.1275402616 0.2696923065 0.2837591526 0.0670685505 -0.0668622647 0.0267347405 0.1110612819 -0.2070760277 0.1915620551 0.1461666052 -0.1428151239 -0.1690830013 0.0494152220 -0.0200209841 0.0221349141 0.0136561373 0.0192548209 0.0229176707 0.0199980998 -0.0431516534 0.0384713779 0.1225384652 0.0232047673 -0.0211660540 0.2732350147 0.1323073195 -0.1040131300 0.1178880784 -0.1373479725 -0.0942684706 0.0409255590 0.1135169011 0.0956559204 -0.0890591576 -0.0860785326 -0.0666179884 -0.0587007361 -0.0148740420 -0.0730438553 -0.0141222687 0.0102932459 -0.0602240940 0.0890711393 0.0867039801 -0.0000485275 -0.0552268122 -0.0013080202 0.0162823773 -0.0542511641 -0.0066762072 -0.0010908667 -0.0601254323 0.0087329643 0.0412894039 -0.0725446123 0.0115360985 0.0047364762 -0.0342975164 -0.0211421802 0.0193974493 -0.0279488104 -0.0254738376 0.0039403128 -0.0325239168 -0.0282155480 0.0274357529 -0.0311725113 -0.0224344991 0.0164817705 -0.0183504319 -0.0485548379 0.0417868969 -0.0280267778 -0.0368714827 -0.0249772661 -0.0512649684 0.0346169508 0.0197430716 -0.0812280572 0.0626395055 0.0626355743 -0.0987554780 0.0137799537 -0.0354268178 0.0224981088 0.0257841258 0.0209916061 0.0119107705 -0.0531501733 0.1171264885 -0.0198480284 0.1213577836 -0.0181679554 0.1315996735 -0.0322051339 -0.0747636707 -0.0408137632 0.0974016645 0.0430483634 -0.0239034117 0.1940046896 -0.0668539256 -0.1440084053 0.1509249836 0.1337048778 0.0071232502 -0.0293453782 0.0606503913 0.0923687878 -0.0036857352 0.0930124721 0.0369142416 -0.1144867841 0.0621235702 -0.0518625611 -0.0689380387 -0.0177704453 -0.0027938132 -0.0036250356 -0.0080286692 -0.0094767275 -0.0192455342 -0.0214277653 0.0642824511 -0.0003428000 0.0048898426 -0.0488392414 0.0812038552 0.0331228593 -0.1200848838 0.1623458017 -0.0649217762 -0.0641483257 0.1492023768 0.1643522346 0.0131202435 -0.0341427786 0.0190764816 0.0282033729 -0.1067040093 0.1018930317 0.0494174598 -0.0736234177 -0.0770934778 0.0092539169 -0.0137526617 0.0039950343 -0.0091948557 -0.0069227048 -0.0029200716 0.0046548946 -0.0165127923 0.0055315164 0.0399490594 0.0050841327 -0.0134023110 0.0907198015 0.0424591532 -0.0420049506 0.0444716580 -0.0500492536 -0.0357366627 0.0118404143 0.0390091946 0.0210931846 -0.0434403964 -0.1073098657 -0.0206285070 -0.0403786626 -0.0488390400 -0.0376794811 -0.0106408129 -0.0208992099 -0.0248803162 -0.0898951928 -0.0768991499 0.0186298264 0.1217231753 -0.0337719939 0.0555319971 0.1379765478 -0.1363787498 0.1456263176 0.2487727234 -0.0153872654 -0.0452256079 0.1053892382 -0.0595432080 0.0934493452 -0.0122143536 0.0937669662 0.0262802414 -0.1163060605 0.0717602938 0.1009236237 0.0230057325 0.1045592057 0.0007161731 -0.0377137821 0.2065203802 0.0009924150 -0.1280374971 0.3149199626 -0.0939902384 0.0018048329 0.2955534899 0.1691724284 0.0322002169 0.0038390277 -0.0263070840 0.0974236328 -0.0784669709 -0.1655621203 -0.0017079623 -0.1161259486 0.1026201572 0.0854289865 -0.1490464909 -0.0412965543 0.1409950575 -0.2731575964 0.1800022407 0.0506126499 -0.0749759732 -0.0766270947 0.1706191038 -0.3016122558 -0.2626375151 -0.0581834610 0.1407131854 -0.0252887633 -0.1049492806 0.3003371588 -0.2704492702 -0.1550649752 0.2847355665 0.1951559391 -0.0102130996 0.0237648058 0.0046818779 0.0778237167 0.0069896913 -0.0312529464 -0.0142691501 0.0159116976 0.0091517925 0.0007900550 -0.0117719034 0.0636130102 0.0107059449 -0.0034701379 -0.0253097982 0.0514710277 -0.0597031686 -0.0294561534 0.0291229156 0.0289726454 -0.0570413835 0.0003805160 0.0341773804 -0.0271670502 -0.0258342224 0.0557563690 -0.0552332669 -0.0026274725 0.0563080771 0.0134035359 0.0349260876 0.0033694335 -0.0189521810 0.0508157809 -0.0136902320 0.0046243325 0.0590297830 -0.0008704758 -0.0532316750 0.0297466419 -0.0009010349 0.0116807116 0.0425438572 0.0150962495 0.0278140595 0.0151722460 -0.0132341750 0.0207774855 0.0276631087 -0.0046891526 0.0122082662 0.0781837590 0.0298498644 -0.0130488095 0.0031304774 -0.0544090863 -0.0211639289 0.0028440680 0.0112800530 0.0705813771 0.1227998292 0.0522234627 0.0755721417 -0.0541223348 -0.0269474899 0.0298350652 -0.0894789439 0.0001083185 0.0326031764 -0.0742885916 -0.0655002504 0.0504790105 0.0182571018 0.0252455179 0.0172544954 -0.0002160036 0.1288050402 0.0861810574 -0.0361912129 -0.0218084377 -0.0157380456 0.1418454731 0.0057074495 0.0073241444 -0.0402419015 -0.0158317043 -0.0146517647 -0.0143809411 0.0108864628 0.0110818569 -0.1171496340 -0.0053095794 -0.0007296480 -0.0256081781 -0.0892575674 -0.0702734874 0.0286078799 -0.1539135208 -0.0164165821 -0.0505906384 -0.1395080305 -0.1592493877 -0.0405858518 0.0105215238 -0.0506717398 -0.0503625703 0.0692128961 0.0073944926 -0.0519685634 0.0372103854 -0.1147660049 -0.0431535722 0.0486265338 0.0087136776 -0.0555924110 0.1185489559 -0.1010828830 -0.0073160982 -0.0218223946 0.0537359405 -0.1341983806 0.1119677797 0.1094295274 0.0381655846 -0.0473657520 -0.0174590018 0.0571248996 -0.1150866564 0.0855336947 0.1005453934 -0.0977750057 -0.0986358958 0.0106550436 0.0095733462 -0.0482937014 -0.0311505424 -0.0310893107 -0.1077627862 -0.0046886542 0.0967344191 -0.0580525572 -0.0163379953 -0.0119815403 0.0645673567 0.0076194613 -0.0017910674 0.0435390782 0.1031268980 0.0396250488 0.1218612657 -0.0368647512 -0.0470183047 0.0834992160 0.0283869890 0.0696384995 -0.0961782210 0.0520038984 0.1136110657 -0.1332204950 0.0491815981 0.1086208584 -0.0561113241 0.0476996626 0.0311173149 -0.1077180038 0.0851597390 0.0208380507 -0.0831336351 0.0881067662 0.0377234129 -0.1444442664 0.0174010242 0.0095408105 0.0231700579 0.0940004166 0.0883580159 0.1109199108 -0.0546833022 -0.0547461748 0.0725106718 -0.0366981892 -0.0394554924 0.0370183756 0.2529875258 0.1658359551 -0.1173474985 -0.2217564986 -0.3341631647 -0.1798205611 -0.1752492486 0.0208321089 0.4196836814 -0.0205292988 0.0467645692 0.0654818582 -0.0782535205 -0.0671692088 0.0672407880 -0.0573101534 -0.0373995285 0.0780865276 0.0589771988 -0.0024627251 0.0161028290 0.0352316759 -0.0027964708 0.0414028021 0.0362037597 -0.0153588138 0.1298886505 0.0819233731 0.0095828097 0.0153015017 0.0795757404 0.0073513225 0.0157968818 -0.0581734546 -0.0155506459 -0.0011963944 -0.0783231837 -0.0160148217 0.0183328823 -0.0904524984 -0.0234256702 0.0205131472 -0.0572700732 -0.0186567631 -0.0390403868 -0.0623176781 -0.0269735239 -0.0307556020 -0.0623456794 -0.0198887437 -0.0312398283 -0.0008167342 -0.0152639939 -0.0221504300 0.0411024430 -0.0086594757 -0.0594084144 -0.0135171076 -0.0509263193 0.0068466673 0.0762872125 -0.0216416494 -0.0077186519 0.0700989940 -0.0829369191 0.0748300601 0.0244851982 0.0727196488 -0.0832607312 0.2084003175 -0.0519880528 -0.0702914685 -0.0033508027 -0.0030263890 0.0362402503 -0.0161941540 0.0298094199 -0.0170302498 -0.0515619196 0.0125850107 0.0655276553 0.0110075926 -0.0448457554 0.0499878758 0.0350204432 -0.0002618999 0.1174042080 0.0530078723 -0.1428820967 0.0459582614 0.0179422125 0.0013775223 -0.0624226475 0.0075173476 0.0437714205 0.1148094892 -0.0235921395 0.2484793138 0.2020386841 -0.0701666765 -0.0981368181 0.2528949998 0.0414491926 0.0213999569 0.0026126433 0.1120116227 0.0423402494 -0.0007675791 0.0528342461 0.0184448218 -0.0186922183 -0.0240671890 0.0064787946 -0.0526017767 -0.0240453123 0.0049073114 -0.0505340148 -0.0476560957 -0.0030032977 -0.0365034863 -0.0491427253 0.0102633597 -0.0141979991 0.0011068131 0.0467083916 0.0349262704 -0.0911883651 -0.0241994465 0.0109554273 -0.1125705367 -0.0369082869 0.0036029277 0.1541274606 0.1543276896 -0.1416646837 -0.3045150817 -0.3120784832 -0.2079321880 -0.2386707733 0.0051086233 0.3775103895 0.0103065365 -0.0246590695 -0.0601601939 0.1004332271 0.0370414697 -0.0191677373 0.1204748901 -0.0382745629 -0.0377727754 -0.0664455649 -0.0352152683 -0.0393459130 -0.0227152642 0.0033234528 -0.0317141695 -0.0299968295 0.0513614529 -0.0954688641 -0.0866522878 -0.0289678299 -0.0260011766 -0.0227632010 -0.0189797165 -0.0030770741 0.0472452352 0.0119536395 0.0009796433 0.0593978951 0.0107779689 -0.0136200506 0.0721600377 0.0164289722 -0.0139294173 0.0444540327 0.0235363927 0.0217419605 0.0434706450 0.0483334842 -0.0031179952 0.0649752371 0.0397328965 0.0284417140 -0.0166907295 0.0021652659 0.0032073218 -0.0365215311 0.0159077497 0.0421953500 0.0034112906 0.0438693022 -0.0213437844 -0.0194962718 0.0028919562 0.0014537310 -0.0320679323 0.0001207252 -0.0062129727 -0.0162299425 0.0062363892 0.0185363070 -0.0273968553 0.0037019017 0.0039053505 -0.0013549527 -0.0017710326 -0.0084101248 0.0057266916 -0.0013089770 -0.0027237143 -0.0034130807 -0.0018951474 -0.0087857874 0.0004899285 -0.0004199814 -0.0038920425 0.0012559994 -0.0034689741 -0.0085586649 -0.0116850387 0.0087092293 0.0011204919 0.0020835268 -0.0044141887 0.0087654239 -0.0004698554 -0.0061821545 -0.0005801787 0.0054327383 -0.0080524323 0.0013548485 0.0010539656 -0.0053603045 -0.0009369514 -0.0019871228 0.0020767217 -0.0020193160 -0.0066774770 0.0041407153 -0.0051314258 -0.0000106531 0.0064066972 0.0032294051 0.0021830267 0.0009755026 0.0002771808 0.0034463932 0.0004614191 0.0012943729 0.0054865610 0.0018375352 -0.0023170954 0.0028351261 -0.0000296470 0.0023270898 0.0018225466 0.0007794389 0.0022074518 0.0032819395 -0.0003395620 0.0028757045 0.0054963660 0.0010424525 0.0007172016 -0.0059091655 -0.0064256137 0.0060316104 0.0141372137 0.0118626711 0.0095149045 0.0108766344 -0.0008867008 -0.0150188079 -0.0072239943 -0.0091183395 0.0067846489 -0.0085408147 -0.0094107012 0.0029694951 0.0046632926 0.0043391734 0.0086766405 0.0193601857 0.0045544816 0.0087144589 0.0004647664 0.0162281473 -0.0044866560 -0.0950058875 0.5715834907 0.0478482561 -0.4162536553 -0.2889596793 -0.1509785421 0.4792927967 -0.1626574705 0.0907146294 0.0329850726 -0.0613573756 -0.0059380703 0.0070232116 -0.1109106890 -0.0765243480 0.0860084712 -0.1153614826 0.0434833534 0.0114322942 0.0516321518 0.0099513913 -0.0852738525 0.1290109967 -0.0469025117 0.0947596935 0.1355498738 0.0910672202 -0.0094218978 0.0104400921 -0.0065280060 -0.0248061107 -0.0077411900 -0.0115624574 -0.0220982129 -0.0040879326 -0.0060351165 0.1310213822 0.0299982600 -0.0073746789 0.1665764384 0.0353845567 0.0163215840 0.0790669385 0.0706214985 -0.1562607961 0.2648416916 0.0659664295 0.0198198074 0.0141355700 -0.0526312092 0.0845958211 -0.0320537530 -0.1115633184 0.1194150847 0.0286160609 -0.0995641766 0.0152854605 -0.0140010797 -0.0056256581 0.0761428356 -0.0535058473 0.0419272906 0.1564895928 0.0717081887 -0.1037366283 0.0458930116 -0.0638388214 0.0406761349 -0.0902659373 -0.0452679140 0.0247168823 0.0494842934 -0.0338079868 0.1590298304 0.1271422078 -0.1469914409 -0.0743549435 0.1354039027 0.0385561920 -0.0747906214 -0.0389816471 0.1458298167 -0.1473329962 0.0596464621 0.0279568951 -0.1580271564 -0.1652260072 0.0267640657 0.0170371531 -0.0040791218 0.0200326626 0.0883600481 -0.0822193171 0.0196555646 0.0670570165 0.0714654659 0.0358115736 -0.0000373730 0.0262528956 0.0256158042 0.0185647838 0.0304513259 0.0324878740 -0.0090658742 0.0361296015 0.0682405802 0.0213934137 0.0170869509 -0.0422005134 -0.0617414477 0.0822556544 0.1557063912 0.1411756875 0.1110761839 0.1197773068 0.0107973520 -0.1483477956 -0.0317448048 0.0899463405 -0.0869798631 -0.0489388141 -0.0148398543 -0.0301434668 -0.0492684671 -0.0977792817 -0.0555434624 -0.1078225892 0.0244489406 -0.0705606198 -0.0103996064 -0.0145359947 0.0876285370 -0.0391040494 0.1444751634 0.2156088523 -0.0844477679 -0.0853232210 0.0289732196 0.1938711515 -0.0429502247 0.0660717949 -0.1127290563 -0.0826810461 0.0216158475 -0.1408715381 -0.0994271150 0.0146157645 -0.1501030212 -0.1203168244 0.0827122140 -0.1033694927 -0.0713436636 -0.0309241227 -0.1135570623 -0.0771083561 -0.0196764462 -0.1090634633 -0.0718767973 -0.0207729380 0.0227606838 -0.0242935328 0.0100073182 0.1638088366 0.0792954237 -0.0234786997 -0.0121474988 -0.0930004947 0.0495656021 -0.1008522845 -0.0133049373 0.0087542126 -0.1351434800 -0.0562310993 0.0383146818 -0.0918424871 0.0217109937 0.0935363578 -0.1258513130 -0.0617405647 -0.0524640071 -0.0385973846 0.0533891670 -0.0445319965 -0.0097474507 0.1085922998 -0.0890074852 -0.0730301822 0.0907163501 0.0145324862 -0.0048353143 0.0092239474 -0.0110491117 0.0317715535 0.0266558005 0.0107594146 -0.0652482553 -0.0062353806 0.0280104852 0.0780511059 0.0146841051 -0.0151359240 0.0636814698 0.0233939043 -0.0887577844 -0.0278566437 -0.1309372049 -0.2219075161 0.1858421950 0.1501181126 -0.2008061230 -0.0312559827 0.0408520002 0.0824132766 -0.1251645320 0.0901934524 0.0094297569 -0.0498021552 0.0836629806 0.1719567011 -0.0527424589 -0.0423120327 0.0347262453 -0.0554424297 -0.1179944394 0.1137003922 -0.0861333467 -0.1158361296 -0.0270743853 -0.0688128810 0.0001677280 -0.0480118777 -0.0710616670 -0.0414645961 -0.0722169175 -0.0549344919 0.0245361027 -0.0722986741 -0.1130207856 -0.0233540901 -0.0347785635 0.0207409213 0.0782096540 -0.1150960334 -0.2319855137 -0.1707128374 -0.1554500357 -0.1746853661 -0.0175690094 0.1772966689 0.0435593325 -0.0737630784 -0.0169998017 0.1499057544 0.1094640636 -0.0358618754 0.0318280348 0.0637906541 -0.0637315626 0.0592519246 0.0457684886 0.0183542781 -0.0499461279 -0.0258305609 0.0851440164 -0.0682598709 0.0787705254 0.1445516950 -0.1097481785 -0.0677909362 0.0665279981 0.0693307242 -0.0365813864 0.0642120249 -0.0947726991 -0.0864961275 0.0413808228 -0.1220682867 -0.1077439613 0.0247437092 -0.1155961853 -0.1248303320 0.0969751471 -0.0803659834 -0.0764997719 -0.0092290642 -0.0546333719 -0.0713040567 -0.0163749300 -0.0916590563 -0.0803594406 -0.0026590527 0.0257967145 -0.0491877771 0.0248587969 0.2317905279 0.1041699953 0.0025292502 0.0736032269 -0.0349915733 0.0929085106 -0.1048278407 -0.0224819969 0.0241463003 -0.3734026743 -0.3351336124 0.2200678115 -0.2527427851 0.4527422213 0.0844045149 0.2697405813 -0.1554677962 -0.2160981310 -0.0337020506 0.0037256173 -0.0231192604 0.0086784557 0.0652950156 -0.0639119647 -0.0922628013 0.0363061924 0.0326468515 -0.0076333422 -0.0114675352 0.0243649265 0.0025724105 0.0182774405 0.0715757654 -0.0681863851 -0.0412722392 0.0645264223 0.0242116602 0.0081772468 -0.0292405610 -0.0248375375 0.0002723782 0.0626819103 -0.0088914368 0.1517341203 0.1502011028 -0.0969209159 -0.1124636322 0.1710416558 0.0175119947 -0.0021823484 -0.0385458054 0.0622105522 0.0067370720 -0.0359031039 0.0264664052 -0.0013653056 -0.0459404391 0.0250864818 0.0016253751 -0.0332440512 0.0648334033 0.0137648927 -0.0326189559 0.0363941105 0.0031113146 -0.0440587472 -0.0010659851 0.0118013137 0.0390512814 0.0053741988 0.0794029576 0.0800597448 -0.0422600185 -0.0377091316 0.0825254577 0.0156673346 -0.0006243312 0.0033346125 -0.0937077293 -0.0512743297 0.0269886036 0.0869264809 0.0731124837 0.0686464331 0.0685392176 -0.0350499966 -0.1203064700 0.0238986471 -0.0298728823 -0.0341128709 -0.0219661432 -0.0382067139 -0.0228972772 0.0327799377 -0.0598714345 -0.0225126918 0.0934734315 0.0727639423 0.0169591103 0.0000505612 0.0040736894 0.0000310021 0.0049616223 -0.0256525719 0.0070262358 0.0264696955 0.0212795254 0.0052044870 -0.0201218163 0.0143440855 -0.0073808723 -0.0120477074 0.0087060930 -0.0043989135 -0.0130884649 0.0159510709 0.0137597502 -0.0281253659 0.0179308340 -0.0102007490 -0.0064916074 -0.0120057136 -0.0086551197 0.0047506858 -0.0234200838 0.0008267057 -0.0219481718 -0.0249463098 -0.0159735651 0.0097959729 -0.0016893019 -0.0021830316 -0.0006383889 -0.0080327472 -0.0050844647 -0.0099127386 -0.0209590760 -0.0083794039 0.0220400797 0.0034591420 -0.0069341660 0.1013179930 0.0955217258 -0.0639859747 0.0696391800 -0.1409381113 -0.0145137168 -0.0988588400 0.0382171876 0.0595800459 0.0074945387 0.0049878699 0.0008515345 -0.0002625752 -0.0032573620 0.0044326702 0.0170630395 0.0013159553 -0.0059418024 0.0059931196 -0.0020878640 -0.0084611426 0.0118962316 -0.0085419706 -0.0200402340 0.0169372975 0.0024935548 -0.0153859760 0.0079174134 -0.0037707358 0.0118766055 0.0187311395 0.0169324710 0.0113943762 0.0297546085 0.0677816101 0.0443039134 -0.0130859205 -0.0173009433 0.0417577035 0.0129227531 0.0431353285 -0.0476767204 0.0014806679 0.1389916521 -0.1454980877 0.0097729173 0.1098017676 0.0688162125 0.0536588483 -0.0686474740 -0.0666268736 0.2360192516 -0.1508707498 0.0819709958 0.0600856547 -0.1919547677 -0.2438819879 -0.0812439388 0.0510733432 0.0963343499 -0.0737428706 0.2535398477 0.2126552636 -0.2206855562 -0.1051912389 0.2289646123 -0.0652321243 -0.0269829259 -0.0383364490 -0.4120571935 -0.1459379577 -0.0173360589 0.1077615662 0.1463336335 0.1169031767 0.1067836039 -0.1853581582 -0.3499330525 -0.0024504930 -0.0038371763 0.0139155324 0.0407111546 0.0266625252 0.0126784739 0.0190480309 0.0197264957 0.0081455630 -0.0211296739 -0.0265165636 -0.0012964432 -0.0073206066 -0.0033630733 0.0024440542 -0.0076937263 0.0000513221 -0.0091068809 -0.0148373640 -0.0059122948 0.0054045353 -0.0113557780 -0.0048695805 0.0053774309 0.0035036879 -0.0036768497 0.0062129748 0.0050475763 -0.0047406473 0.0013427177 0.0068182465 -0.0054080891 0.0070494349 0.0033554985 0.0002947166 0.0029627040 0.0065262195 0.0069731286 -0.0046729823 0.0102224962 0.0052097977 0.0040635604 -0.0057187949 -0.0055893855 -0.0000359236 0.0123572825 0.0103910031 0.0045035472 0.0143338040 0.0150435248 0.0054022782 -0.0548250596 -0.0162242300 -0.0119990354 0.1797525402 0.2462081202 -0.1723482708 0.1301060782 -0.4914702150 0.0739822728 -0.5248659906 0.0409792393 0.1417998298 -0.0478167047 0.0844859618 -0.0396311924 -0.0542422721 0.1231996853 -0.0944149054 -0.0881351200 0.1173770271 0.0144307254 0.0017237834 0.0265483954 0.0429101610 0.0962371424 0.0707814131 0.1047519475 -0.0529074542 -0.0664946258 0.0935027997 0.0127640318 -0.0090454293 -0.0431676555 -0.0349361223 0.0066172300 0.0714764731 -0.0388816572 0.1851975310 0.1609916993 -0.1085875377 -0.1241125219 0.1992884595 0.0157371287 -0.0186889180 -0.0164119923 0.0755860520 -0.0425176364 0.0222542302 0.0219328616 -0.0467517566 -0.0697497504 0.0025069782 0.0215545314 -0.0095497366 -0.0205628538 0.0622797892 -0.0604529627 0.0066803116 0.0632235242 0.0431844415 0.0197830100 -0.0057741225 0.0057059231 0.0235573828 -0.0041766694 0.0085872701 0.0234506311 -0.0044628144 0.0059180959 0.0302690600 0.0074105179 0.0147159059 0.0427812309 0.0012287972 0.0275075724 0.0391797419 0.0163507664 0.0229587360 0.0228119058 0.0267549679 0.0039709768 0.0583810272 -0.0769834453 -0.0461335782 -0.0180328074 -0.0352088615 -0.0457187894 0.0314601021 -0.0742112219 -0.0508088656 0.0263314733 0.0452178442 0.0305307440 -0.0058761720 -0.0052883457 0.0100102597 -0.0036189131 -0.0193721084 0.0099621941 0.0048511440 0.0010805967 0.0109735545 -0.0167967938 -0.0029270545 0.0102315850 -0.0076087752 -0.0022894236 0.0079843550 -0.0012347148 0.0016903484 0.0070065003 -0.0148458428 -0.0004465235 0.0080748054 -0.0055249309 -0.0076833441 -0.0003656003 -0.0019059641 -0.0085883113 -0.0001080818 -0.0059861175 -0.0090021658 -0.0021864290 -0.0010778728 -0.0063862043 -0.0029705554 0.0015837124 0.0001863280 -0.0038684337 -0.0290829425 -0.0372358508 -0.0077325054 0.0064778989 0.0039547398 0.0004806661 -0.0220468433 -0.0185992302 0.0062841801 -0.0113180897 0.0521270972 -0.0051040910 0.0513454469 0.0007463128 -0.0112747975 0.0113257811 -0.0069682076 0.0002597531 0.0097314644 -0.0180308511 0.0127067607 0.0316721151 -0.0121928327 -0.0099630377 -0.0016275551 0.0053633849 -0.0232513373 -0.0192112762 -0.0239310205 -0.0682232660 0.0050740424 0.0591050555 -0.0374351768 -0.0042735315 -0.0088378997 0.0222013501 -0.0324977670 -0.0008281059 0.0089958287 -0.0229369408 0.0456681173 0.0378668726 -0.0596135690 -0.0334307476 0.0387600032 -0.0237718907 0.0071740377 -0.0222631570 -0.0219626448 0.0077339958 -0.0221918343 -0.0146591600 0.0129931276 -0.0210323432 -0.0123973936 0.0144657014 -0.0110095092 -0.0348699555 0.0323720314 -0.0374875355 0.0109162297 0.0505556890 0.0126046810 0.0053120283 -0.0183586258 0.0052808664 0.0058928263 -0.0153145034 0.0070785426 0.0088922318 -0.0166045510 0.0048793314 0.0295645875 0.0058654156 0.0119330281 0.0465486547 -0.0019999237 0.0286372349 0.0546468863 0.0170484536 0.0286500751 0.0183265769 0.0396999264 -0.0137263775 0.0084735309 -0.0116217223 0.0247723375 -0.0204395720 -0.0005505423 0.0027424028 0.0155569147 0.0350996815 0.0191230447 -0.0073144872 -0.0230485522 0.0131942648 -0.2010873986 -0.0532847555 0.1036780430 -0.1984125116 -0.0442557317 -0.2716553751 -0.3709974917 -0.0839351637 0.2268524466 -0.4318620819 -0.0766365848 0.1995409254 0.1060019512 -0.0167232710 0.1968365141 0.1089374272 -0.0185450932 0.1798178397 0.0839565041 0.0059293298 0.1735970418 0.1186865455 0.0005106482 -0.0167718013 0.2431828579 -0.0498259597 -0.0020650509 0.1973583014 -0.0155182981 -0.1832869346 -0.0085544025 0.0481302498 -0.1218531702 0.0398176258 0.0514335071 -0.1670433493 -0.0096505566 0.0428722165 -0.1168731716 -0.0412594471 -0.0203724064 0.0048442469 0.0118456749 0.0214992268 -0.0074319642 0.0041617953 -0.1243929397 0.0456694558 -0.1572079409 -0.0337679271 0.0062522748 -0.0470216671 0.0312823735 -0.0021791526 -0.0210338264 0.1154503712 -0.0858963586 -0.1825511928 0.0662996443 0.0672638133 0.0326139849 -0.0619956690 0.1295921442 0.1534096158 0.0895527363 0.3609635787 -0.0060071763 -0.3566205054 0.2063732986 -0.0132105812 0.0193095857 -0.0427905006 0.0987197136 -0.0954351256 -0.0204371715 0.1625758944 -0.3299942938 -0.1036408125 0.2119943971 0.0534566330 -0.1585165013 0.0594363234 -0.0165623457 0.0441996986 -0.0007584093 -0.0056756770 0.0189691158 0.0739019205 0.0152884643 0.0785974086 0.0460338874 -0.0220693225 0.0244252465 0.1104864397 -0.0672557314 0.0938780328 -0.0031807845 -0.1122686472 -0.0449849747 0.0130296307 0.0551147719 -0.0161075992 0.0163597421 0.0282188796 -0.0282272245 0.0180975797 0.0637070179 -0.0254090312 -0.0601225906 -0.0144045226 -0.0245111369 -0.1011159490 0.0065848794 -0.0672974593 -0.1371802626 -0.0438623823 -0.0736534929 -0.0313500655 -0.1079554424 0.0545340338 -0.0970227404 0.1722663922 -0.0453692755 -0.0377660222 -0.1230336948 0.0517085982 -0.0265815801 -0.1551231982 0.0405230656 0.0445319130 0.0631712303 -0.0499513320 -0.0213986151 -0.0041201063 0.0016865161 -0.0180225617 -0.0186361068 -0.0761372099 -0.0428483929 -0.0053967024 0.0225871139 -0.0810883377 -0.0092800832 0.0254310888 0.0389445112 0.0150181561 0.0281680718 0.0522584533 0.0258354445 0.0336365463 0.0284620016 0.0306683517 0.0111291699 0.0363693483 0.0079278531 -0.0071915622 0.0489676637 0.0329151956 -0.0414247394 0.0545062679 0.0194952887 -0.0059929546 -0.0248319122 -0.0323749059 -0.0438413147 -0.0097530640 0.0171768889 -0.0168468585 -0.0972734809 -0.0917181720 -0.0859237072 -0.0391331641 -0.0254110133 -0.0011894172 -0.0710813669 -0.0295048121 -0.0205176522 -0.0036351388 -0.0482530458 0.1110064742 -0.1331431481 -0.0493977429 -0.0181214879 0.0332247115 0.0043254012 -0.0501120729 0.0746062018 0.0576281365 -0.0813182324 -0.0552466717 0.0205339484 -0.0134845104 0.0950442569 -0.1002312331 0.0551269690 0.2420634485 0.0304792059 0.2468055695 0.0678772384 -0.3715837827 0.1237928227 0.0372951549 0.0096031583 0.0221834504 -0.0430961144 -0.0147856021 -0.0170501450 -0.0493917873 0.0242890785 0.0005129902 -0.0810258812 -0.0230235645 -0.0163051230 -0.0908165652 0.0631395529 -0.0826598685 -0.1547123342 0.1252160428 -0.1598422783 -0.0058825080 0.1646612007 0.0007131804 -0.1027398243 0.0407940026 -0.0834776550 -0.2291796138 0.1022045744 -0.1906549297 -0.0056969194 0.2037380888 0.0344921326 -0.0545849306 -0.1252985886 0.0318137960 -0.0400007171 -0.0349329737 0.0890673677 -0.0934013976 -0.1696376406 0.0715426071 0.0949044431 0.0129725646 0.0505950267 0.2061045772 -0.0153466992 0.1295117528 0.2607934302 0.0535399938 0.1449321889 0.0216617050 0.2228136424 -0.0966327101 -0.0552620420 0.0817992686 0.0302618602 0.0882337839 0.0760732551 0.0387208680 0.0377691945 0.0699857853 0.0324334277 0.0120615352 -0.0554192602 -0.0474485204 0.0097342997 0.0026158211 -0.0109334829 0.0102662508 0.0007996951 -0.0018095142 0.0160252569 0.0044470028 -0.0145619232 0.0156302923 0.0044204994 -0.0154830305 0.0018596238 0.0011016243 -0.0095423016 0.0043602300 0.0017621478 -0.0099591358 0.0076528526 -0.0004186713 -0.0097699521 0.0000814872 -0.0020424957 0.0051701967 0.0027592019 0.0258628574 -0.0237404665 -0.0014887518 0.0074950588 0.0294684608 -0.0154545679 -0.0283565027 0.0077811102 0.0263019698 0.0113033350 0.0269608189 0.0512331519 0.0421944798 0.0216214921 0.0440421820 0.0287309447 0.0073441817 0.1480606752 0.0740909021 0.0380802401 0.0077326538 -0.0013682154 -0.1771424419 0.1416212979 0.0631162218 0.0381558609 -0.0805393280 0.0045675517 0.0830141594 -0.0940116268 0.0279044802 0.0411396732 -0.0717216947 0.0232153783 0.1058345534 -0.1095529651 0.0522023056 -0.0370251180 -0.2786415550 -0.0606204093 -0.2007134167 -0.0887499555 0.3112558975 -0.1018213770 0.0254049671 -0.0029615237 -0.0180449240 0.0379342243 -0.0825267657 0.0089697893 0.0735494763 -0.1331777744 0.0047216257 0.0755083855 -0.0490897665 -0.0186738106 -0.0085368990 0.0291344202 -0.0269912407 -0.0805738223 0.0843367000 -0.0991719976 0.0764917836 0.1275233385 0.0484121050 -0.0514149851 0.0177391306 -0.0516957613 -0.1173408854 0.0500804195 -0.1083043145 -0.0233664084 0.0927680013 0.0215965629 -0.0363918028 -0.0645021775 0.0153797096 -0.0200508385 0.0001582297 0.0598912205 -0.0704618138 -0.1018894709 0.0478279100 0.0357773299 0.0006791272 0.0253026557 0.0991072379 -0.0089973827 0.0617035504 0.1181972507 0.0147396577 0.0689201128 -0.0044913072 0.1086043577 -0.0406890063 0.0049416950 -0.0087232114 -0.0170846580 0.0349460577 -0.0561915817 0.0216637090 -0.0319148242 -0.1697056156 -0.0220176230 0.0216814630 0.0694197384 0.0274343438 0.0155525692 0.0049173194 -0.0344515681 0.0211579686 -0.0216278746 -0.0874246425 0.0177403387 0.0059397782 -0.0356071978 -0.0328866860 -0.0042911110 -0.0094090991 0.0517715459 0.0338028001 0.0014025874 0.0791101620 0.0527310886 0.0079290801 0.0503186050 0.0513512202 -0.0223874832 0.0361422613 0.0210919420 0.0027043050 0.0205455408 0.1926003890 -0.1841313320 0.0637554844 0.1088802173 0.1786954342 -0.0924790588 -0.1992448002 -0.0608158212 0.0548698088 0.0641639369 0.0704096372 -0.2129808041 -0.2892237577 -0.1440956788 0.0383965723 0.0308619835 0.0134620268 0.1607736047 0.1053562043 0.0131273445 0.0224345041 -0.0566968934 -0.1708884195 0.0862997359 0.0784923861 0.0706207363 -0.0919546660 0.0137148086 0.0887728944 -0.0494909631 0.1316012250 -0.0261654377 -0.1856901739 0.0685030198 0.1772788173 -0.0813698658 -0.0263597550 -0.0184234979 -0.2062884947 -0.0931354217 -0.1102701043 -0.0504901710 0.1334667513 -0.0709829827 0.0521706842 0.0149036072 -0.0315879047 0.0925363295 -0.0855516131 0.0196021618 0.1018723982 -0.1832073569 -0.0279168902 0.1582071793 -0.0125033094 -0.0458430135 0.0332746356 0.0280615736 0.0036444366 -0.0191678852 0.0818078420 -0.0627331230 0.1256878860 0.1242177131 0.0626175777 -0.0518333533 0.0066604395 -0.0515491461 -0.1311170623 0.0329412205 -0.1045095726 -0.0337146154 0.0763985159 0.0278700856 -0.0530329239 -0.0686966969 0.0126565935 -0.0363974894 0.0156346435 0.0689482780 -0.1051594112 -0.1205261726 0.0554118373 0.0189839578 -0.0014340769 0.0203404847 0.0894604394 -0.0076776569 0.0553045509 0.1072415405 0.0092021565 0.0647382395 -0.0259892199 0.1137168564 -0.0449165547 -0.0121939525 0.0061727007 -0.0492423049 0.0722939478 -0.0521162296 0.0185795995 0.2016774306 -0.0383024847 0.0388483026 0.0475143375 0.0349512715 -0.0158110763 -0.0142594863 -0.0058597913 0.0304520739 -0.0194372315 0.0174767375 0.0869236737 -0.0124944620 -0.0050558336 0.0310060902 0.0339814528 0.0038506695 0.0048099877 -0.0503548322 -0.0329544129 -0.0055190870 -0.0773219604 -0.0535979933 -0.0172600376 -0.0434998348 -0.0526784510 0.0189143974 -0.0322994653 -0.0182478499 -0.0031000108 -0.0038440667 -0.1971123498 0.1903735143 -0.0621862766 -0.1147218402 -0.1973684276 0.0891514609 0.2026544432 0.0620421274 -0.0662120772 -0.0675316190 -0.0689357902 0.2065128742 0.2945463352 0.1409424587 -0.0270403693 -0.0274249511 -0.0167633675 -0.1444462114 -0.1122837407 -0.0015010023 -0.0154673977 0.0629988553 0.1525647381 -0.0632991989 -0.0829034646 -0.0869220720 0.0730504366 0.0005902620 -0.0724895305 -0.0415082857 -0.2186386922 0.1094773620 0.2714400950 -0.0952321800 -0.2331865704 0.0274001011 0.1321550820 0.0377523324 0.1304690984 0.1782599140 0.1005602552 0.0123783783 0.0054789835 0.0760408344 -0.0710910217 -0.0010307249 -0.0209763311 0.1326465561 0.0612784044 0.0228093767 0.1654266753 -0.1756709763 -0.0831594334 0.2845391688 0.2036846500 -0.1020609531 0.1149222224 0.0279411791 0.0555073954 0.2497887638 0.0101855682 0.1042359102 0.1348230431 -0.0247373929 -0.0582449672 -0.0579923583 -0.0248633785 -0.0479596187 -0.1828023400 -0.0044656911 -0.1084879154 -0.0856040478 0.0384072916 0.0710001447 -0.0912239687 -0.0973670405 0.0129877260 -0.0748498394 0.0517589684 0.1047990523 -0.1939145463 -0.1939203422 0.0902266721 0.0060738780 -0.0021165509 0.0181152922 0.0964533278 -0.0144612180 0.0682306107 0.1249358308 0.0176834542 0.0806531915 -0.0528336117 0.1525485163 -0.0751893339 0.0348136215 -0.0442432681 -0.0216655710 -0.0521502771 -0.0450034004 0.0134039518 -0.0572975243 -0.0731654864 0.0020073708 -0.0993324097 0.0310828178 0.0206556519 -0.0004093178 0.0007223480 -0.0000503477 -0.0008626258 0.0027822974 -0.0043423921 -0.0040364799 -0.0005057785 0.0017189359 -0.0023443772 -0.0000399251 0.0017506764 0.0033539154 0.0017952042 0.0014136790 -0.0013904947 -0.0004212494 0.0030779391 0.0051244204 0.0023546633 0.0001001984 0.0013509837 0.0065319810 -0.0010066358 0.0001158224 -0.0108461368 0.0158456664 0.0042744291 0.0025211948 -0.0145220576 0.0018513245 0.0110540442 -0.0031900218 -0.0137525909 -0.0004244245 -0.0114297924 -0.0401343244 -0.0327957731 -0.0119339797 -0.0152297148 -0.0220305208 -0.0152702134 -0.0909012805 -0.0912726810 0.0181047496 -0.0104930316 0.0466128599 0.0988663495 -0.0334919960 -0.0788829279 -0.0903887783 0.0403552641 0.0125486335 -0.0452064497 -0.1003633193 -0.2304621453 0.1448486461 0.2691171814 -0.0928792689 -0.2240284123 -0.0061927643 0.1557381879 0.0424100932 0.0722193893 0.1916393557 0.0884485609 -0.0117482654 0.0563474986 0.0695827732 0.0223899734 0.0285631498 -0.0206041069 -0.0412188615 -0.2318720814 0.0260583210 -0.0073905153 -0.1803570768 0.0729050218 -0.1333632979 -0.2321368408 0.0072076560 -0.0777050852 -0.0238372133 -0.0548668934 -0.3483584610 0.0850052435 -0.2270453674 0.0415868384 0.1987813513 0.1925742857 0.0266089969 0.0352943720 -0.0044265588 0.1131880596 0.0473962110 0.0086976387 0.0544134393 0.0189668345 -0.0554550612 0.0626976938 0.0594784124 -0.0045614942 0.0683463917 -0.0289369800 -0.0502420157 0.1276960753 0.1166783254 -0.0487633475 0.0061167466 -0.0025285462 -0.0016858661 -0.0405166445 0.0076603842 -0.0324675208 -0.0601113590 -0.0182371298 -0.0394038631 0.0382321551 -0.0905337320 0.0572271175 0.0061984805 -0.0290782588 -0.0214587268 0.1227710821 -0.0124683445 0.0714218035 0.1664595434 -0.1377853940 0.0408353408 -0.1268340822 0.0416658355 0.0126981948 0.0046003429 0.0010406432 -0.0056357875 0.0032683833 0.0092563822 0.0062138232 0.0037555766 0.0006413942 -0.0056346994 0.0186742764 0.0040503295 -0.0139171984 -0.0002498768 -0.0058985749 -0.0049211640 -0.0108520307 -0.0177207036 -0.0155140822 0.0230415465 -0.0160307574 0.0001333303 -0.0035019424 0.0001267535 0.0130475629 0.0308380710 -0.0438335066 0.0547900024 -0.0138564340 -0.0307917322 -0.0509557795 -0.0088477510 0.0318509261 0.0251282365 0.0058618435 -0.0069240011 -0.0114169585 0.0733772595 0.1072930761 0.0649085668 0.0031961175 -0.0003633772 0.0051428345 0.0079377632 0.0114927330 -0.0058730799 -0.0063083321 0.0067680866 -0.0215566665 0.0256788973 0.0057020782 0.0099372999 -0.0054131412 -0.0011095335 0.0075413877 0.0138496080 0.0404637925 -0.0289101241 -0.0329461402 0.0201821734 0.0421424882 0.0009016105 -0.0219272043 -0.0135796599 -0.0138302329 -0.0003551888 0.0208632006 0.0057975702 -0.0470436648 -0.0104958180 -0.0158771440 -0.0085664267 -0.0046673985 -0.0112053232 0.0197027228 0.0060854024 0.0154865887 -0.0221128362 0.0024344170 -0.0077495706 0.0492086579 -0.0241981529 0.0015904154 0.0031429598 0.0005104163 0.0242405157 -0.0066028562 0.0153727991 -0.0088763913 -0.0170036732 -0.0211124447 0.0009349844 -0.0001290963 -0.0024553297 0.0044354975 -0.0044856282 0.0030318088 -0.0073984257 -0.0075935656 -0.0051196916 0.0015437476 0.0009187535 0.0003401108 0.0037904568 0.0051959537 0.0038167917 -0.0008540540 -0.0024610875 0.0034083157 0.0020017798 -0.0008339623 0.0009233048 0.0006240920 -0.0019779970 0.0016995679 0.0005672617 0.0003469181 0.0009173570 0.0031112841 -0.0025449909 0.0009409203 0.0169331772 -0.0218437184 0.0086667653 -0.0070949958 0.0197327920 0.0333220871 -0.2783874698 -0.1806437729 -0.0610373770 0.0132257541 0.0184654494 -0.0317241752 0.0647397807 0.0207545630 -0.0853550615 0.0610084817 0.0478603014 -0.0312199739 0.0781388257 0.0268600527 -0.0887307219 0.1280377941 0.0346172942 -0.1227307793 0.0741721333 -0.0088642599 -0.0118932535 0.1105199953 -0.0292553842 -0.0973904139 0.2236999869 -0.0268005093 -0.0396526333 -0.0079456849 -0.0310550181 0.1818048586 0.1867694613 -0.3074922144 0.4321771871 -0.0568472351 -0.2346667306 -0.2695089778 -0.2383854549 0.0264484572 0.1099611125 0.0584570529 0.0356117062 -0.1458150991 -0.2575517779 -0.0817791882 0.2599675494 0.0156246067 0.0051650952 0.0211359804 0.0646464418 0.0387227468 0.0200539091 0.0016922462 -0.0192922028 -0.0684505166 0.0601839695 0.0282671224 0.0460362344 -0.0162269050 -0.0091535822 0.0200982120 0.0568515443 0.0822781065 -0.0336614550 -0.0693491858 0.0305284879 0.0843129838 -0.0137649241 -0.0477770450 -0.0596823101 -0.0162375797 0.1209787420 0.2076590551 0.0432469864 -0.3265528575 -0.0301490224 -0.0188471864 0.0760029409 0.0240079677 -0.0653532300 0.0093202695 0.0696493714 0.0693127984 -0.3878342599 -0.0593914050 0.0072160108 0.3094660243 -0.2477628910 -0.0333254077 0.0112793373 -0.0093781902 0.0664619779 -0.0520299526 0.0759645449 -0.0041356649 -0.0440058868 -0.1317202904 0.0010875281 0.0129407699 -0.0315399980 0.0620774131 -0.0442863168 0.0489445600 0.0401235560 -0.0288730105 -0.1345513602 0.0201830291 0.0185567762 0.0027564594 0.0394724928 0.0129528857 0.0104672554 0.0256936091 0.0210363533 0.0014461888 0.0143844862 -0.0052112951 0.0058401154 -0.0026797717 -0.0037879579 -0.0027257626 0.0046735585 -0.0081738726 0.0002993283 0.0260806300 -0.0288431857 0.0113649257 0.0847630541 -0.1664157720 0.0275296631 -0.0596910251 0.0465989297 0.2066392191 -0.2494013513 -0.2092236055 0.1090477829 -0.0064739555 0.0918938814 -0.2010632963 -0.0070894153 -0.0022973201 0.0108855704 -0.0062329831 -0.0039202322 -0.0355183850 -0.0275791099 -0.0077569123 0.0219985186 -0.0381367420 -0.0062256769 0.0245870645 0.0035453599 0.0030715721 0.0060685763 -0.0036472383 0.0110366012 0.0305491816 -0.0378640459 0.0117312216 0.0089353523 0.0061376368 0.0093735912 -0.0564044238 -0.0171485707 0.0975631403 -0.1441116023 0.0459950027 0.0786343776 0.0536641395 0.0221235552 -0.0095164341 -0.0109324662 -0.0014688531 -0.0056254707 0.0323964932 0.2018084766 0.1903908000 0.0014860087 0.0025947018 -0.0003314755 0.0030440718 -0.0027391838 0.0075010031 -0.0114269081 -0.0005669507 0.0039016027 -0.0038751593 0.0092161852 0.0114849164 0.0182013564 0.0026897275 -0.0051041196 -0.0002944197 0.0118136226 0.0194170170 -0.0237852495 -0.0142620231 0.0114926674 0.0255884514 -0.0005506019 -0.0069203916 -0.0082772223 -0.0062707647 0.0140022222 0.0254807455 0.0013208700 -0.0366576675 -0.0025583706 -0.0451634880 -0.0213401996 0.0072523998 0.0032875572 -0.0096964670 -0.0260510075 -0.0267519397 0.0980967196 0.0143751998 -0.0755390914 -0.0780969814 0.0333939021 0.0366759208 -0.0421636659 0.0313283251 -0.1079790076 0.1774418447 -0.2186973704 -0.0700996723 0.0926371818 0.3696069722 0.0397260351 -0.0459923979 0.0034304418 -0.1559821090 0.1624325017 -0.2817766057 -0.0952568013 0.1065952437 0.3621866470 0.0370247618 0.0061055606 -0.0441910840 -0.0494331595 0.3000266730 0.0686687169 -0.1172430225 -0.2052867177 0.1512028066 -0.0055503787 0.0141234108 -0.0175483606 -0.0038784662 -0.0955289666 0.1258947516 -0.2043953737 0.1620440091 -0.0414115220 -0.0028997531 -0.0531185312 0.1047348605 0.0118166403 -0.0043169353 0.0195987180 -0.0097320536 0.0239478996 -0.0037632112 -0.2580850331 -0.0646326721 -0.0634053409 0.0070709249 0.0187764951 -0.0198133518 0.0016799759 -0.0028038495 0.0004695197 -0.0024370495 0.0231929062 -0.0113776826 -0.0222653117 0.0169582096 0.0639373086 -0.0015382072 0.0352335723 -0.0473021246 0.0068041510 -0.0149988015 -0.0001374604 0.0540302777 0.0608486075 0.0966607397 -0.0755329335 0.0671938929 -0.0741274017 0.0011462206 -0.0089689208 -0.0094429115 -0.0718883283 0.0420797003 -0.0429045399 0.0662047323 0.0548578825 0.0475150725 0.0001764446 0.0102738748 0.0063656600 0.0005953618 -0.0006311720 -0.0010670162 0.0701399782 0.0831734705 0.0239378418 -0.0003981548 -0.0017088021 -0.0017415630 -0.0103631734 0.0005276082 -0.0138788502 -0.0015927126 0.0055177874 0.0040230602 -0.0022445975 0.0027866836 0.0046128699 0.0020663814 -0.0010422410 -0.0005765484 -0.0076317754 -0.0026832685 -0.0068658709 0.0026090963 0.0036937327 0.0064348633 0.0013311155 0.0039855670 0.0039892252 -0.0055906180 -0.0045124259 -0.0091365100 -0.0003178698 0.0209364267 0.0013547765 0.0030809789 -0.0057436055 -0.0034647659 0.0127152518 0.0000960574 -0.0030384657 0.0242900843 0.0234606822 0.0155918776 0.0045974684 -0.0158333535 0.0128854134 -0.0026485272 0.0086964983 -0.0147895438 0.0064019508 -0.0366464229 0.0316957216 0.0235039671 -0.0101099476 -0.0742503065 -0.0110922868 0.0114626399 0.0087584927 0.0477446644 -0.0344151870 0.0765094992 0.0150556624 -0.0303393041 -0.0778778040 -0.0182995069 -0.0057233888 0.0181087316 0.0099752355 -0.1282851956 -0.0333100871 0.0417881724 0.0825669363 -0.0651458185 -0.0024876344 -0.0031506507 0.0053809055 -0.0038284481 0.0424369161 -0.0544542027 0.0789803609 -0.0647731777 0.0146202867 -0.0036975868 0.0243246876 -0.0444780062 -0.0026181988 0.0035745995 -0.0051891695 0.0104725174 -0.0024878300 -0.0000675864 -0.0492075152 -0.0455323997 -0.0209074550 -0.0014720649 -0.0009668277 0.0071797630 0.0072433334 -0.0136129552 -0.0073474332 -0.0121981128 0.1001115780 0.0189264847 -0.0613082558 0.0856809884 0.2573653418 0.0425303197 0.1620868654 -0.2419034502 0.0167282609 -0.0695289061 -0.0078053969 0.2279759896 0.2492449102 0.3839880441 -0.2861220783 0.2776947654 -0.3363275723 0.0015795621 -0.0485734048 0.0203491008 -0.2621871958 0.1113609884 -0.0704667038 0.2195428528 0.1521211318 0.1816207856 -0.0207832185 0.0276082474 0.0187978412 0.0003881198 0.0066183770 -0.0296942172 0.0259071151 0.0695343052 0.0438199931 -0.0000258775 -0.0007965378 -0.0022086733 -0.0111790149 -0.0011295112 -0.0083014651 0.0010291996 0.0023949196 0.0069440552 -0.0049362633 -0.0001828006 -0.0006690168 0.0036468313 -0.0001629113 -0.0021351612 -0.0078128816 -0.0018107109 -0.0097175163 0.0027095609 0.0021108417 0.0007723793 0.0030676835 0.0023374661 0.0056983058 -0.0070423976 -0.0153424839 -0.0225172419 -0.0047627097 0.0389167314 0.0022519818 -0.0189376121 -0.0310741957 -0.0106278728 0.0399352071 0.0056171365 -0.0257904086 0.0647607918 0.1565463434 0.0727763414 -0.0519133200 -0.1024102806 0.0751779775 0.0215849921 -0.0020920823 -0.0333682482 -0.0480038163 0.0174226630 -0.0698315520 0.0198155871 0.0336224556 0.0272723559 -0.0067043202 0.0037833717 0.0332748164 0.0588453168 0.0138796927 0.0429135928 -0.0330775463 -0.0284297253 0.0154888526 -0.0382795834 -0.0145731853 0.0353325256 0.0041362640 -0.2523733885 -0.0715162447 0.0642130581 0.1571997828 -0.1321540075 -0.0135299671 -0.0000895477 0.0077092267 -0.0251302381 0.0899700048 -0.1138956793 0.1398460505 -0.1228159195 0.0219241831 -0.0113713043 0.0436180609 -0.0866763364 -0.0093667805 0.0122980924 0.0034412001 0.0248613744 0.0119680498 0.0072797863 -0.6403292484 -0.3875023314 -0.2001795241 0.0080206706 0.0023967796 0.0176508492 -0.0003397579 0.0037608237 0.0054246581 0.0045358332 -0.0196765460 -0.0534222727 -0.0107480168 -0.0278384913 -0.0449776886 -0.0392268134 -0.0414136206 0.0737468631 0.0045307451 0.0175520914 0.0063002648 -0.0568898557 -0.0547015214 -0.0664906435 0.0451812499 -0.0597106660 0.0886159352 0.0001040261 0.0178715068 -0.0505894261 0.0609144901 0.0139253857 -0.0636037803 -0.0077653854 0.0099702984 -0.0621690584 0.0067372964 0.0072279627 0.0124106134 0.0004610295 -0.0094982445 0.0204097635 0.1909189365 0.1993145234 0.0539968714 -0.0035489630 0.0045485841 0.0164570849 0.1112737702 0.0067985115 0.1107419571 -0.0130798228 -0.0555769809 -0.1036283927 0.0478164292 -0.0459207929 -0.0593404730 -0.0423989491 0.0193125258 0.0220588886 -0.0114274788 -0.0719473468 0.1644681280 0.0483413077 -0.0495881859 -0.0843383874 -0.0145922631 0.0150217961 -0.0342900025 0.0627746200 0.1289194251 0.1411408636 -0.0048083987 -0.2006397937 0.0071179960 -0.0855461260 -0.0575040754 0.0403732775 0.0588967001 -0.0040603094 -0.0434704229 0.0528234128 0.2140935321 0.0638682695 -0.0728061760 -0.1644874875 0.1031462119 0.0447896078 -0.0192068719 -0.0377858248 -0.0789585182 0.0945041831 -0.1793966005 0.0247356532 0.0878505360 0.1604896692 0.0176460582 -0.0155781930 0.0484699589 0.0322092911 0.0921316017 -0.0611071939 -0.0017374480 0.0435127165 0.1540887560 -0.0493871422 -0.0266981199 0.0431488677 -0.0099953235 -0.3086202837 -0.0892778870 0.0410932206 0.1789705005 -0.1696446541 -0.0342116275 0.0128839256 0.0015821545 -0.0605924183 0.1272755226 -0.1567137535 0.1525825169 -0.1416888120 0.0159729821 -0.0274639921 0.0587998790 -0.1167356566 0.0404196033 -0.0131156423 0.0600417011 -0.0138426612 0.0007695977 -0.0122290371 0.2950093215 0.3817073603 0.1410803643 0.0222099845 0.0501485232 -0.0983427263 -0.0018885861 0.0011262909 0.0001738432 -0.0006135261 -0.0086506196 0.0284322784 0.0178625050 0.0007578218 -0.0213448221 0.0112548791 -0.0064934684 0.0065496544 -0.0057866862 0.0031902386 -0.0023866100 0.0008480930 -0.0048543637 -0.0264499027 0.0142362284 -0.0090571501 0.0063146052 0.0009408328 -0.0006915514 0.0271465691 -0.0207817010 -0.0295436497 0.0599650168 -0.0181865001 -0.0178290455 0.0179934832 0.0073975254 -0.0036532388 -0.0152297535 -0.0024883207 0.0039792961 -0.0066083593 -0.0998314598 -0.1114160577 -0.0438428923 -0.0124142262 0.0150070765 0.0163546947 0.2216024803 -0.0281986109 0.2748068851 -0.0018528043 -0.1355105976 -0.1470097664 0.0203517082 -0.1658787771 -0.2332501485 -0.0741708538 0.0677392140 0.0319552772 -0.0381995490 -0.2197301147 0.4271650267 0.1678079763 -0.1543657853 -0.3104400694 -0.0113507233 0.0174518033 -0.0336733608 0.1629894396 0.0941773403 0.0708473246 -0.0091232430 -0.1798726153 0.0046235056 0.2880170262 0.1477795243 0.0608546974 0.0166283991 0.0299795850 -0.0353850259 0.0284248640 0.1504076174 0.0383072832 -0.0107698042 -0.0712566002 0.0766699964 0.0120723806 0.0084609581 -0.0001394826 0.0223022269 0.0099936411 0.0020709018 -0.0571770373 -0.0224187874 0.0215670848 0.0114281508 -0.0129830188 0.0274158294 -0.0449120305 0.0145338129 -0.0190491436 -0.0135594943 0.0118734419 0.0876295123 -0.0035000543 -0.0133009743 -0.0078966459 -0.0397034670 0.0418947945 0.0023961403 -0.0239854231 -0.0520727646 0.0311365924 -0.0085559003 0.0056073376 -0.0096102408 0.0078645872 -0.0199192831 0.0302189302 -0.0418725266 0.0425459781 -0.0079077206 -0.0197649816 0.0159840323 0.0086206095 -0.0861603316 -0.0433442687 0.0256433099 -0.0798702974 -0.0593756045 -0.0390366964 -0.2130199089 -0.1257982324 -0.0819202487 -0.0132553120 -0.0499556247 -0.0413575132 -0.0014530087 -0.0026720885 -0.0001919365 -0.0037220622 0.0086309747 0.0131710255 -0.0036272176 0.0073296067 0.0216608392 0.0089513053 0.0142657876 -0.0248371898 -0.0035934260 -0.0067122617 -0.0028071341 0.0046907446 0.0106409369 0.0226396063 -0.0170473471 0.0160035548 -0.0268053452 0.0017560549 -0.0050089937 -0.0067623882 0.0253154636 0.0014594905 -0.0160799053 0.0112282139 -0.0070794265 -0.0267952687 -0.0043511477 0.0050682072 0.0099928289 -0.0033222651 -0.0038230269 -0.0070505877 -0.0682033105 -0.0623588170 -0.0099562564 -0.0258222607 0.0111535796 0.0054483280 0.2032381010 -0.0193321437 0.2446569415 -0.0208042949 -0.1400166003 -0.1788494533 0.0186461208 -0.1575050515 -0.2288534236 -0.0788670268 0.0574221139 0.0409415110 -0.0452494219 -0.2021302604 0.3988282233 0.1104950061 -0.1432382153 -0.2616386464 0.0124237984 0.0203521304 -0.0150598311 0.1288428299 0.0391836606 0.0069461557 -0.0015009850 -0.0564922753 0.0083620361 -0.1095957981 -0.1331215312 -0.0160892651 -0.0127946798 -0.0034743186 0.0020786425 -0.0583482198 0.0041355821 -0.0200158350 0.0416035272 -0.0096519917 0.0199965887 -0.0415335420 0.0212919542 0.0210120754 0.0129462112 -0.1297416238 0.1820117547 0.0039607708 -0.0804039198 -0.1965051357 -0.0311837369 0.0273531712 -0.0218041065 -0.0012692306 -0.1270737680 0.1516071516 0.0141193289 -0.0684671051 -0.2047730553 0.0273224765 0.0142413636 -0.0327300035 -0.0102783620 0.2104731706 0.0537708036 -0.0016244546 -0.1307119331 0.1303280072 0.0278617610 -0.0162817405 -0.0028109690 0.0771109301 -0.1082126670 0.1350243126 -0.1030088161 0.1107713232 -0.0041511524 0.0057657363 -0.0183666537 0.0838102875 0.0251493870 0.0436224239 0.0111333958 0.0701918413 0.0146242641 -0.0087666364 -0.1090427099 -0.0520244323 -0.0483216968 0.0694308281 -0.0030311726 -0.0111644730 0.0031661042 0.0001571006 0.0005359588 0.0026979529 0.0070919883 -0.0282693064 -0.0143064298 -0.0033040228 0.0120054392 -0.0120757671 0.0017998892 0.0024860391 0.0059247997 0.0002309038 0.0030328660 -0.0016709322 0.0020089711 0.0156275084 -0.0025548271 0.0057601636 -0.0003904030 -0.0029708354 0.0069207621 -0.0108898094 -0.0155750892 0.0058895875 -0.0075507454 0.0099583577 0.0193448709 -0.0020437191 -0.0008273796 0.0058724245 0.0030771022 0.0016186096 -0.0023636971 0.0050397641 0.1070328849 0.1150999008 0.0377157433 0.0175826994 -0.0129552867 0.0091535425 -0.0963667906 0.0267179990 -0.1411234684 -0.0064529240 0.0893646499 0.0534209637 0.0415820992 0.1127609933 0.1745771982 0.0247120160 -0.0317416461 -0.0155621509 -0.0343622651 0.0795427561 -0.2061395218 -0.0080207916 0.0884645106 0.1552633054 -0.0277660661 0.0288642846 -0.0075488539 -0.0438374669 0.1084180240 0.1169853629 -0.0281471808 -0.0851094905 0.0187132180 0.0219679861 -0.0051871740 0.0452696946 0.0725074327 -0.0450514190 -0.0641552565 0.0583195003 0.2839894149 0.1016759237 -0.0329193717 -0.2954752195 0.1930403036 0.0011773568 0.0256941013 -0.0043114936 -0.1130456939 -0.1594180096 0.1512632117 0.0830359714 -0.0228415117 -0.1741573088 -0.0310709158 0.0478140292 0.0493199052 0.0340945735 -0.1621594985 0.2937846830 0.0151351786 -0.1063618548 -0.2126256642 -0.0038105915 -0.0237489527 -0.0354365735 -0.0984593732 0.1679704508 0.0171467524 0.0588225245 -0.1716129616 0.1658116526 0.0037898196 -0.0215798851 -0.0255191585 0.1635210816 -0.1470799174 0.1989825194 -0.1111769510 0.1688248926 0.0086351331 -0.0874517731 0.1027388924 0.0588254599 -0.0060976331 -0.0134419947 0.0607171249 0.0008908352 -0.0208473291 -0.0353655725 -0.0898631074 0.0778755600 -0.0218424947 -0.0355823290 0.0468353163 -0.0584024330 -0.0021757596 0.0026190565 0.0017086470 0.0003900134 -0.0132515886 0.0085485394 0.0111935374 -0.0041304870 -0.0252625929 -0.0028857889 -0.0129279620 0.0217894561 -0.0029660126 0.0033201908 -0.0011799182 0.0058524364 -0.0031691434 -0.0243222257 -0.0024036003 -0.0124615061 0.0182876277 0.0027495525 -0.0039420910 0.0018545431 -0.0132056768 -0.0022375109 0.0032178419 0.0093389563 0.0005759274 0.0043496152 0.0042078053 0.0041725980 -0.0008254198 -0.0008404103 -0.0002002535 -0.0001850783 -0.0117907899 -0.0098691814 -0.0091629949 0.0104471114 0.0050448201 0.0076877757 0.0011964818 -0.0003184850 0.0071036506 0.0169275141 0.0022378670 0.0294039385 -0.0065796896 0.0079675142 0.0147630713 0.0051674376 -0.0000628834 -0.0099690049 0.0165245104 0.0135626983 -0.0178631694 0.0002215147 0.0043987635 -0.0028541505 -0.0144627272 -0.0068863437 -0.0057767082 -0.0078828467 0.0086067664 0.0181722785 -0.0276089981 -0.0303549837 0.0062637608 -0.0098622219 -0.0021058611 0.0041324308 -0.0001232409 -0.0032274496 0.0000694489 -0.0150214508 0.0063940824 -0.0030642229 -0.0043225833 -0.0104088167 0.0084446146 0.0009604445 -0.0018761854 0.0037397117 -0.0026525202 -0.0003687547 0.0014527053 0.0108454734 0.0046236707 0.0037057322 -0.0058296714 0.0019240062 -0.0056850763 0.0010992842 -0.0058175696 0.0047255107 -0.0115531636 -0.0091999606 -0.0148477376 0.0006301057 0.0047868563 -0.0006542753 0.0077050831 0.0033500656 0.0024530715 0.0009008709 0.0057643569 -0.0016095882 0.0041949983 -0.0028504919 0.0034084373 0.0009544856 -0.0005823639 -0.0009185468 0.0063342060 -0.0072936928 0.0024168899 0.0072395510 -0.0079997546 0.0032737533 0.0015832642 0.0005114119 0.0108473101 0.0074522584 0.0065284321 -0.0053847554 -0.0237822846 -0.0046249791 -0.0129228940 -0.0007389704 0.0069548181 -0.0033679629 0.0126751683 -0.0533315344 0.0086024486 -0.0295782016 0.1962519991 -0.0530350376 -0.1834983267 0.0449107538 0.4045643932 0.0358545425 0.1777360024 -0.2920782697 0.0080158340 -0.0264207348 -0.0088384596 -0.2647928849 -0.0405911266 0.2743848375 0.1431832494 0.1025379614 -0.2167626924 -0.0135070248 0.1267736990 -0.0721252112 0.2572361806 -0.1435081547 0.1366085199 -0.1912837271 -0.1138919974 -0.4008974348 0.0150726879 -0.0232078121 0.0117165061 0.0086165467 -0.0259754822 0.0497574164 -0.1358497271 -0.2083512761 0.0132128517 -0.0829533916 -0.0422326754 -0.0826088241 -0.0655560398 0.0129765951 -0.1459269160 -0.1354872594 -0.0160233823 -0.2398943829 0.0035093344 0.0375679975 0.0085714950 -0.0379755995 -0.0204068388 0.0959247186 -0.1557124023 -0.0303867761 0.0121260830 -0.0419449403 0.0130059335 0.1451454227 0.1235840307 0.0689734339 0.0525184092 0.0225367982 -0.0353183365 -0.1020290164 0.2757307472 0.2345495474 -0.0644992931 0.0091985322 -0.0047731557 -0.0214217418 0.0091777912 0.0505168929 -0.0008416054 0.1558423237 0.0046661146 0.0603981756 -0.0438526395 0.0733527471 -0.0410764431 -0.0393386861 0.0238671383 -0.0857898970 -0.0300120469 -0.0291463712 -0.0303695827 -0.1529149566 -0.0619233667 -0.1030719664 0.0884040807 -0.0028088207 0.1072153785 0.0576856392 0.0656681234 0.0245556259 0.2184486965 0.1235457754 0.1397983499 -0.0097599924 -0.0895759412 0.0076715265 -0.1588094224 -0.0368546457 -0.0465547457 0.0616630494 -0.1325080512 0.0844910187 -0.0735082239 0.0392876482 -0.0716765109 0.0563010001 -0.0431198623 0.0879920944 -0.1404260931 0.1879271284 -0.0358747374 -0.1700815537 0.1978184436 -0.0457983971 0.0073587329 -0.0048658506 -0.0320108726 -0.0016327470 -0.0335268333 0.0716649950 0.2128968988 0.0149784840 0.1174259165 0.0060675348 -0.0261902389 -0.0178498728 0.0452789237 0.0071993639 -0.0198235536 0.0413673000 0.0521834417 -0.2692072645 -0.0964928710 -0.0316128355 0.0546633534 -0.0867036589 0.0066362152 0.0168330539 0.0394240751 0.0007432797 0.0329983008 -0.0394417799 -0.0193435563 0.0848050573 -0.0057507781 -0.0073040823 0.0591765011 -0.0535173757 0.0061657983 -0.0605950357 -0.0132076683 -0.0043720528 -0.0612761367 -0.0434295724 0.0027736086 -0.0912343576 -0.0358623587 -0.0065815550 0.0419276504 0.0135150543 -0.0082022388 0.0160284871 0.0782197943 0.0808548017 0.1180655968 0.0978596539 0.0658893974 0.0831666523 0.0896544829 -0.0525218597 0.2404251437 0.2005674948 -0.0206528049 0.3548429984 -0.0911833175 -0.1262143883 -0.1419828613 0.0476869228 0.0400304654 -0.1140442566 0.2155282236 0.0132475618 0.0578109845 -0.0119293543 -0.0714727723 -0.2631107650 -0.1341250180 -0.1065613492 -0.0276354554 -0.0970406077 -0.0853042805 0.0029149271 -0.2957745121 -0.1153339346 0.0593792196 -0.0327955450 0.0129925794 -0.0337384637 0.0096067081 0.0165900173 0.0080303516 0.1368895744 -0.0268366519 0.0590108546 -0.0567267126 0.0478427379 -0.0433671700 -0.0213553867 0.0160507622 -0.0705437296 -0.0560416681 -0.0324891794 -0.0299163223 -0.0695876932 -0.0211248460 -0.0779272298 0.0756659025 0.0151022908 0.0941408962 0.0947696309 0.0450147969 0.0682988572 0.1897205865 0.0866387156 0.0695607243 -0.0108724257 -0.0833784276 0.0052138472 -0.1380787171 -0.0313553359 -0.0370269072 0.0894085253 -0.1298550265 0.0970696705 -0.0697762870 0.0276349906 -0.0681838696 0.0923206545 -0.0566844185 0.1061266595 -0.1158605840 0.1840641537 -0.0196534609 -0.1826361672 0.2203973295 -0.0495307819 0.0120969627 0.0056283916 -0.0461706229 0.0095936990 -0.0070320287 0.0583939612 0.1256317772 -0.0477311072 0.0634360265 0.0032469869 0.0098371558 0.0632389779 0.0119414638 0.0057516868 -0.0074698237 0.0135206438 0.0027198490 -0.0699789332 -0.0134479136 -0.0095569382 -0.0105391290 -0.0239035740 -0.0080493298 0.0200581534 0.0099843858 0.0011457159 0.0100897493 0.0050221406 -0.0017476342 0.0104364596 -0.0145214069 -0.0038401227 0.0252211524 -0.0140100544 -0.0072294193 -0.0093220513 -0.0182685311 0.0077419907 -0.0231135532 0.0037873424 0.0118066674 0.0090339747 -0.0116210187 -0.0018997420 0.0093793301 0.0023909987 -0.0001325270 -0.0021367214 0.0303154774 0.0364496419 0.0299944546 -0.0248242199 -0.0081733921 -0.0252943742 -0.0071926534 -0.0037224795 -0.0167972834 -0.0310885282 -0.0169863754 -0.0596036358 -0.0128477246 -0.0100482775 -0.0304120137 -0.0084016062 -0.0033262235 0.0268423310 -0.0200151027 -0.0068925351 0.0222539058 -0.0301716213 -0.0099703920 0.0210612981 0.0383792232 0.0092337314 0.0171023823 0.0003353837 -0.0346930576 -0.0472027683 0.0899003120 0.0782834632 -0.0260877291 -0.0206233862 0.0084213542 -0.0116725279 0.0029899424 0.0192334873 0.0093174680 0.0782820746 -0.0164702745 0.0348096869 -0.0506831190 0.0535327356 -0.0388642579 -0.0184522976 0.0052714375 -0.0421587078 -0.0366270892 -0.0130236062 -0.0278340246 -0.0549081939 -0.0144116617 -0.0349627182 0.0326917458 0.0061256876 0.0469891155 0.0497900362 0.0251239738 0.0319666272 0.0767447041 0.0340951289 0.0369260553 -0.0040481134 -0.0369744388 0.0029486579 -0.0737464546 -0.0128175631 -0.0227798732 0.0521528639 -0.0587766954 0.0495441480 -0.0296481668 0.0122766412 -0.0324925100 0.0455810402 -0.0333998642 0.0569722844 -0.0640551985 0.0931162943 -0.0119507566 -0.0820624305 0.0973670927 -0.0148660931 0.0039651322 -0.0064635646 -0.0122190929 0.0315667365 0.0146999333 0.0510513470 -0.1566530172 -0.1805247066 -0.0297188707 0.0078954287 -0.0097527145 0.0008341759 -0.1067744253 -0.0378579623 0.0471497424 -0.1125382868 -0.0574229322 0.6376061010 0.1730424166 0.0934070550 0.0053259855 0.2285041573 0.0467206701 -0.1522455407 -0.0871576379 -0.0058818633 -0.0798422815 -0.0043293374 0.0235375931 -0.1198112932 0.0975615336 0.0471904441 -0.2120509864 0.1242415389 0.0345530149 0.1059016030 0.1809059185 -0.0201245257 0.1497948696 0.0574873970 -0.0381467257 0.0399472922 0.0580134629 -0.0071402451 -0.0832463748 -0.0211677987 0.0115605591 -0.0144299933 -0.1022124711 -0.1156123907 -0.2194325006 0.0235944733 -0.0214898661 0.0494340433 -0.0164487767 0.0589759866 -0.0909715337 -0.0379036882 0.0851253528 -0.0530636227 0.1527991825 0.1401907694 0.2463293225 -0.0163530826 -0.0062561741 -0.0313216635 -0.1190850513 -0.0208015131 -0.1011261007 0.1963562604 0.0922120753 0.0747044854 -0.0572077748 0.0506815096 -0.0362270396 0.1665609187 0.1562363380 0.1093254689 -0.1914852551 -0.1836391475 0.0875910720 0.0235054291 -0.0561733496 -0.0017220248 0.0503762866 0.0701401217 0.0079016174 0.1361175564 0.0347723600 0.0394635621 0.1399022825 0.0596448441 0.0377817254 -0.1058838622 0.0291911080 -0.0717730590 0.0507722497 -0.0445087366 0.0352443075 -0.2802594021 -0.1578194283 -0.1927067001 -0.0116756625 -0.0782883131 0.0221420920 -0.2097985019 0.0002671076 -0.1260350825 0.0726438886 0.0994439282 0.1699155368 0.0140833419 0.0161301224 0.0092842321 -0.1023791134 0.0151564750 -0.0577899666 -0.1491869420 0.0438301541 -0.0846591755 0.0456343702 0.0388875323 0.0178315118 -0.2136766125 0.0471973584 -0.0931345753 -0.1346701844 -0.0328538782 -0.0938075563 0.1928820350 -0.2849333889 0.1217307553 -0.0076014250 0.0176461804 0.0016881624 0.0526284013 -0.0644629545 0.0173598727 0.0899694750 -0.1260476840 0.0071480582 0.0090963992 -0.0063054109 0.0075988389 -0.0091516422 -0.0024063314 0.0043384020 -0.0089467788 -0.0071705923 0.0485537470 0.0141069239 0.0058568085 -0.0041559107 0.0155163650 0.0008483506 -0.0067390602 -0.0046989315 0.0003872908 -0.0060439475 0.0052675917 0.0024091948 -0.0139927156 0.0097284741 0.0017938009 -0.0129654841 0.0097420389 0.0049363181 -0.0004023351 0.0172573860 0.0005796185 0.0017736081 0.0234804602 0.0055946640 -0.0206684898 -0.0053972127 0.0008505226 0.0012514694 0.0000359334 -0.0007978862 0.0014075146 0.0466853874 0.0531203337 0.0162144135 0.0032480170 0.0331213089 -0.0439677576 -0.0237174708 -0.0860199793 0.0935209776 0.0950239041 -0.0546604242 0.2028670468 -0.2096674664 -0.1550639673 -0.2625936950 0.0217705960 0.0099327270 0.0135777025 0.0771573509 0.0077049512 0.0640254978 -0.2411583042 -0.1063303912 -0.1109405454 0.0265624523 -0.0398547640 0.0636139205 -0.2544722431 -0.1639495134 -0.1054885846 0.1662829060 0.2437464779 -0.0749009477 -0.0121818065 0.0308887216 -0.0081097908 0.0954409959 0.0506470809 -0.0297285699 0.2176808245 0.1722725239 0.1044356203 -0.0591833904 -0.0470987146 0.0429037977 -0.0266507863 -0.0160402914 -0.0726340396 -0.1303869986 -0.0152154200 -0.0999590735 -0.0768356696 -0.0124206648 -0.0177852987 -0.1008226937 -0.0393389499 0.0320681218 -0.0977291262 -0.0650286208 0.0599747882 -0.1853875138 -0.1155547204 0.0177390134 -0.0171215152 0.0685248644 -0.0126271563 -0.1610374938 0.0717288752 -0.0936602475 -0.0202935456 0.0777048779 -0.0227004086 0.0967276912 -0.0270998607 0.0386760775 -0.0449043254 -0.0772734916 0.0475786825 -0.0993858904 -0.0183578593 -0.0423119475 0.1917148144 -0.2765191664 0.1940854931 0.0123162306 -0.0193738016 -0.0201972545 -0.0149860477 -0.0167610271 0.0734679703 0.0678908322 0.0732967562 0.1105718499 -0.0123996433 0.0152941397 -0.0241635379 0.0019747042 0.0013990396 -0.0021815030 0.0022062105 0.0006244466 -0.0112314659 -0.0012181965 -0.0008494476 -0.0034374590 -0.0033148614 -0.0016364475 0.0033989692 0.0002217402 0.0001680372 0.0016886083 -0.0053214930 -0.0022230825 0.0034753166 -0.0056854772 -0.0003265868 0.0045074602 -0.0016269930 0.0002280486 -0.0031717616 0.0027063603 -0.0059747940 0.0027695220 0.0090838784 0.0022036807 -0.0147417885 -0.0030220267 -0.0010803401 0.0032624835 -0.0008257153 -0.0005832229 -0.0018242897 -0.0235524220 -0.0224913796 -0.0012983435 0.0300256855 0.0304592471 -0.0304835706 -0.0813281997 -0.0859177683 0.0358448974 0.1183593694 0.0118879578 0.2995195131 -0.2044825429 -0.1071933272 -0.1777385896 0.0127296559 0.0023603848 0.0040923997 -0.0467354170 -0.0152676057 -0.0227974652 -0.2427651299 -0.0862405893 -0.0832213035 -0.0031845268 0.0011864847 0.0648010379 -0.2966172401 -0.0576897265 -0.0046484817 0.1326060531 0.1983703380 -0.0519215725 0.0314929177 -0.0553460259 0.0359999056 -0.0223957946 -0.0374381177 -0.0058487779 -0.1084052587 -0.0055057431 -0.0373062499 0.1612746910 -0.0883326431 0.0927637593 -0.0442854133 0.0515994864 0.0468972142 0.1170462564 -0.0792877672 0.2131863818 -0.0772857585 -0.1047201636 -0.1696973955 0.0691812353 -0.0238416971 -0.0298834886 -0.1839951851 -0.0190448128 -0.1169771926 0.2314140417 0.1809972550 0.0729663678 0.0371251763 -0.0469955642 0.0078486338 0.1353912742 -0.0121246937 0.0838642709 -0.1964271762 -0.0545251711 -0.0717789143 -0.0442191258 0.0607315170 -0.0021360039 -0.1842131134 0.1506725612 -0.1724974369 0.0161980942 -0.0683250035 -0.0351703407 0.0267995683 -0.0322307683 -0.0839212146 -0.0078182580 0.0020213690 0.0653997742 0.0234801965 -0.0254331897 -0.0552913671 -0.0369632840 -0.0083437963 -0.0581076467 -0.0213759028 0.0400461986 -0.0784003232 -0.0080668237 -0.0048555161 0.0014761979 -0.0094837951 0.0013493006 0.0481704124 0.0112402098 0.0096095488 0.0086871155 0.0218192744 0.0082630584 -0.0234141004 -0.0021950332 0.0024680931 -0.0035762402 -0.0091988148 -0.0034365933 -0.0065606277 0.0327805478 0.0053291996 -0.0191396286 0.0078364276 0.0032048085 0.0054837769 0.0322684596 0.0113314850 -0.0104588368 -0.0043169666 -0.0045428036 0.0046985000 -0.0095396047 -0.0055674145 -0.0036281808 0.0048882597 0.0026111611 0.0027035003 0.1022186212 0.1110218574 0.0233899862 -0.0027592233 0.0019682826 -0.0065340670 -0.0013613587 -0.0084483833 0.0048666881 0.0039133914 -0.0030261269 0.0126161269 -0.0170713620 -0.0121237690 -0.0231403963 0.0030160173 -0.0020721324 0.0055487390 0.0178083605 0.0068465226 0.0070649909 -0.0308403586 -0.0081287818 0.0015461989 0.0022669128 0.0001845762 0.0039443179 -0.0189404163 -0.0006436248 0.0068595351 0.0306413800 -0.0006362397 -0.0120381884 -0.0231793746 0.0126741791 0.0142054164 0.0040518144 -0.0006691578 0.0149791103 -0.0138035989 -0.0201700790 -0.0065566459 -0.0047569038 0.0378832696 -0.0230277862 -0.0239820895 0.0017964897 -0.0050894535 -0.0040881672 -0.0154392944 0.0168795823 -0.0278866871 -0.0151135158 -0.0286306524 0.0089037583 -0.0028142798 -0.0024661851 -0.0176301651 0.0024430141 -0.0167853112 0.0512482041 0.0340754802 0.0012193259 0.0083784176 -0.0098063911 0.0046356277 0.0056683405 -0.0060509940 0.0053179269 -0.0116988350 -0.0094547108 -0.0034448157 -0.0061252190 0.0126110137 -0.0046766196 -0.0295015640 0.0162203641 -0.0179648767 -0.0191467012 0.0063443149 -0.0136242230 0.0038960520 -0.0078010626 -0.0025505277 0.0006944775 -0.0045247272 0.0179636239 0.0624226459 0.0273919161 -0.0004554364 -0.1058328036 -0.1624565250 -0.0781362586 0.0025402868 0.0035614321 -0.0118372265 0.0020140744 0.0334046939 0.0325435338 0.0211424485 -0.0789160534 -0.0868924959 -0.0054846966 -0.0497618762 -0.1170974118 -0.1074469725 -0.0928962622 0.2241015875 0.0001938505 -0.0222721651 -0.0291911207 0.1430734489 0.0546908133 -0.0431603446 -0.2586829061 -0.0207230612 0.0588563647 0.0183798006 0.0044005762 -0.0674935770 -0.2187595019 -0.0664782355 0.0798298037 0.2018079326 0.0777280882 -0.1790508004 0.0347291534 0.0576620356 0.0533257573 -0.0102160710 -0.0287485493 0.0015317023 -0.5269666134 -0.5492660263 -0.0466725654 0.0000987671 -0.0007379491 0.0057836426 0.0074861730 0.0078258982 0.0024162161 -0.0040637562 0.0013881489 -0.0089483887 0.0152258136 -0.0028463558 0.0005020400 0.0008489784 0.0022536035 -0.0054134196 0.0011199219 -0.0025782210 0.0007237659 0.0181540394 0.0036917467 -0.0054936643 -0.0015936968 -0.0041658288 -0.0027548476 0.0044399557 -0.0049392513 -0.0064498556 -0.0256485299 0.0054749674 0.0091425075 0.0092724913 -0.0176277405 -0.0124750384 -0.0097051265 -0.0011341498 -0.0176294176 0.0035319954 0.0202813220 0.0010018287 -0.0163027860 -0.0284442761 0.0072735152 0.0196404858 -0.0038110246 0.0169275647 -0.0080932094 0.0059048294 0.0009131251 0.0273984937 0.0117091067 0.0345910422 -0.0031882544 0.0058817539 -0.0062729675 0.0070549718 -0.0064377150 0.0104448796 -0.0336022526 -0.0225173408 -0.0108972040 -0.0022470759 0.0069036474 -0.0060676525 0.0319605241 0.0104391764 0.0152263849 -0.0004877992 0.0006946983 0.0021061247 -0.0018829075 -0.0096193752 0.0049886223 0.0246798651 -0.0000475501 0.0024232445 0.0378097726 -0.0167708163 0.0195386022 -0.0134158894 0.0247152144 -0.0193390476 0.0042035961 0.0071030963 -0.0137805166 -0.0525660590 -0.0204737234 -0.0018447790 0.1837976871 0.1958776382 0.0935558854 -0.0028363403 0.0009099354 0.0096827692 -0.0866657835 -0.0023450737 0.0612655176 -0.0725037393 -0.1125060384 0.3750299169 0.1180511541 0.0280659102 -0.0943579170 0.0696957722 -0.0572574062 0.0889372814 0.0105034088 -0.0012541796 -0.0665213280 0.2035024772 0.0620490529 -0.1657871251 -0.0087828229 0.0371784670 -0.1091104510 0.0793247917 0.0403404036 -0.1341698661 0.1282394345 0.0575091905 -0.1673959877 0.3968182766 0.1489760876 -0.3880329206 -0.1311050570 -0.0196672118 0.1254328705 0.0473304642 -0.0240762596 0.0327229558 0.1464761046 0.1906089304 0.3190860652 -0.0721834885 -0.0085213135 -0.0204170141 0.1329544573 0.0563738828 0.0609011085 -0.1102185255 -0.1324059529 -0.3431348739 0.0917717432 -0.0344371556 -0.0824521708 0.0624631767 -0.0046808053 0.0158413798 0.3836019568 0.1493779529 0.0957906091 0.1036202519 0.0476746093 0.0836433668 0.0224162686 -0.0562866002 -0.0415835126 0.0492309505 -0.0367509776 -0.0154498223 -0.0338508181 -0.0689933067 -0.0041655360 -0.0437166100 0.0725346795 -0.0192242210 0.0265950755 -0.0758380723 -0.0363409768 0.0776019274 0.0776031824 0.0750518255 -0.0771011898 -0.1877023724 0.0663526520 0.0142242157 0.0483584844 0.0170913479 -0.1047172383 -0.1332198018 0.1674467081 0.1441034637 0.0259433450 -0.1549001154 0.0176324931 -0.0125059069 0.0158047002 -0.2869967828 -0.1480080602 0.0602911146 0.1787872609 0.1115997058 0.0108341019 0.0229207020 -0.0429975570 -0.0126729322 0.0460963953 0.0459907286 0.0510449668 -0.2659121343 -0.0822329293 -0.0733981563 -0.0048103329 0.0539207085 0.0175738149 -0.2133598761 0.1233663823 -0.1541196473 -0.0334218317 -0.0808192655 -0.0579037136 0.1102225939 -0.1570788825 0.0091347040 0.0097432559 -0.0106716516 -0.0324404370 -0.0286502340 0.0418595564 0.0315723767 -0.0540762156 0.0828880483 0.0371440885 -0.0304394444 0.0230895906 0.0682150481 0.0008990570 -0.0018067385 -0.0020493134 -0.0002937788 0.0051487445 -0.0009113846 -0.0017334836 0.0016014756 0.0072116531 0.0033978979 0.0052149473 -0.0117886310 -0.0002554076 0.0011613850 0.0023656615 -0.0073783896 -0.0027954896 0.0026012676 0.0103532733 0.0007631977 -0.0010429011 -0.0020187545 -0.0003048745 0.0005014696 0.0151710580 0.0029453082 -0.0080058900 -0.0084616238 -0.0015156071 0.0086238022 -0.0007946753 -0.0047959178 -0.0009367506 0.0003936649 0.0010066914 -0.0002418731 -0.0024617700 -0.0038139132 -0.0060674641 -0.0409289296 0.0028077566 -0.0253752256 0.0598412785 0.0168080011 0.0398938501 -0.0428291617 -0.0811260893 -0.1461990773 0.0042251911 -0.0512075362 -0.1061267974 0.0557222687 -0.0066061950 0.0155365720 0.2572237415 0.1118780146 0.0400474573 0.0026930157 0.0192399203 0.0595047436 -0.0006525108 -0.0203640013 -0.0114855233 -0.1004036870 0.0208705204 0.0567707607 -0.0018757712 -0.0147478220 -0.0079949291 0.0090603956 -0.0240056351 0.0270703054 -0.0455480388 -0.0470941615 0.0662029139 -0.0789714938 -0.2335842844 -0.0545683588 0.2199423221 0.0650204148 -0.0016586266 0.0356195921 0.0356735675 -0.0606842026 0.3253202816 0.1467085859 -0.1032413132 0.1317093267 0.0769619309 -0.0955690928 -0.0083352538 -0.0225138729 0.0462034736 0.1721351609 0.1080798424 -0.0330326887 0.0587072111 0.0353632924 0.0517299273 -0.0632234648 -0.0032800648 0.0390454672 -0.3992174891 -0.1172981827 -0.2155871931 0.1185438310 0.0930591731 -0.0081544707 0.0584791042 -0.0027812216 -0.0254834522 0.0027870492 -0.1383838390 0.1301783617 -0.2269342384 0.1348701914 -0.0892867932 0.0719133397 -0.1488574102 0.2106095864 -0.0103278258 0.0086994606 0.0583039262 0.0045851862 0.0161819048 -0.1190550029 0.0251225230 -0.0575027678 -0.1404146011 -0.0348108346 0.0425717198 -0.0008440983 -0.0047676232 -0.0015283853 0.0059818631 -0.0044441377 -0.0039059617 0.0213614808 0.0027291679 0.0009291686 0.0031432788 0.0028064477 -0.0018054780 0.0042183887 0.0043179715 0.0012929400 -0.0053247137 0.0172219382 0.0046450359 -0.0132585062 0.0134502769 0.0037816882 -0.0116331939 0.0011378886 0.0009590468 -0.0056087252 0.0020708090 0.0075489345 -0.0143713925 0.0058690672 0.0034917873 -0.0085412234 -0.0094100674 -0.0016859120 0.0049657165 0.0045842507 0.0001145361 0.0035600499 0.0509462696 0.0521687543 0.0354038822 0.0653870310 -0.0008299508 0.0371292115 -0.0946332495 -0.0335170898 -0.0512790356 0.0757759650 0.1222380675 0.2466579485 -0.0256616825 0.0644316478 0.1408794444 -0.0929103914 0.0051755005 -0.0183843766 -0.4119301247 -0.1779823056 -0.0626799260 -0.0657626588 -0.0525158915 -0.1026526219 0.0215104140 0.0214048192 0.0046167730 0.1368543396 -0.0270058019 -0.0762312014 0.0564219542 0.0071339544 -0.0163036980 -0.0158709785 0.0253718331 -0.0142287388 -0.0724633630 -0.0633421469 -0.0224409058 -0.0474798380 -0.0438213646 0.0009362455 -0.2041986947 -0.0313247784 -0.0866190203 0.1091239857 0.0649359330 -0.0143859567 0.0815408442 0.0147899401 0.0291906576 0.3616396231 0.1695421472 -0.1120064944 0.0036402222 -0.0003973950 0.0612175063 -0.1269444780 -0.0921143194 0.1170150977 0.1399040900 0.0732029820 0.0144228904 -0.0408617469 -0.0383526872 -0.0032051399 -0.2429422670 -0.0159815110 -0.1047151314 -0.1829918169 -0.0255567761 -0.0704388129 0.0415166363 0.0279703517 0.0091825585 -0.1478970623 0.0003508700 -0.0294015163 -0.1417770356 -0.0039677265 -0.0878100210 0.1387745141 -0.2249991864 0.1477078808 0.0071871597 -0.0043376477 -0.0282878321 -0.0261439970 0.0543307908 0.0188677935 -0.0797018356 0.0910378947 0.0226416842 0.0464115031 -0.0520933046 -0.0097121935 -0.0003537906 0.0008461157 0.0008488757 0.0001025740 -0.0025122804 -0.0008086547 0.0000369122 -0.0004590875 -0.0020744149 -0.0017050558 -0.0024602363 0.0055647988 0.0002152386 -0.0008978375 -0.0014120159 0.0010837776 0.0005381438 0.0002081775 -0.0084799581 0.0002132545 0.0000689235 0.0015530080 -0.0008646362 -0.0029131150 0.0030982798 0.0033054219 -0.0069934796 0.0031416626 0.0020025127 0.0011558415 0.0008576472 -0.0002468530 0.0031781470 0.0016495239 -0.0009240462 0.0002944413 -0.0359438130 -0.0366881313 -0.0094574677 -0.0003681315 0.0002669662 -0.0025914693 -0.0026667959 -0.0025048953 -0.0009913469 -0.0000117637 -0.0042108924 -0.0057546529 -0.0049713818 0.0040701712 0.0032600029 0.0016804687 0.0007687911 0.0019212663 0.0076199330 0.0042840266 0.0027294619 0.0080532210 0.0031438064 0.0047054538 -0.0014858857 -0.0006618105 -0.0008103793 -0.0029527305 0.0020985294 0.0033238446 -0.0036163046 -0.0019384240 0.0008495897 -0.0006924970 -0.0069148724 -0.0022165731 -0.0063575628 -0.0029547451 0.0003744814 0.0076381150 -0.0138640534 0.0020897279 0.0054758601 -0.0004228470 -0.0003106397 0.0027214560 0.0020942923 0.0013597155 0.0141995395 0.0052738196 0.0009482938 0.0039501017 0.0009831552 -0.0014817303 0.0010849401 -0.0004464020 0.0003882472 0.0057399337 0.0038477517 -0.0025470543 -0.0012910118 -0.0000266199 0.0035573576 -0.0022589584 0.0010133022 -0.0000670502 -0.0065971056 -0.0014500448 -0.0039433090 0.0005142160 0.0028459492 -0.0012157679 0.0009611885 -0.0015511823 0.0000011741 0.0035756310 -0.0034337846 0.0034204931 0.0000666992 0.0007626764 0.0007103826 -0.0003934076 0.0000315697 0.0019662227 0.0003076359 0.0018723365 0.0038444126 -0.0070324086 -0.0012611568 -0.0056245460 0.0116566572 0.0161498572 0.0022205061 -0.0006204579 0.0018166468 -0.0000518103 0.0049638999 0.0417653784 -0.1921476505 0.0197470694 -0.0277932327 -0.0186954112 0.2187939876 0.0716511763 -0.3732099860 0.1839590812 0.0460349936 -0.2569133510 -0.1432961714 -0.0740895230 0.1931324106 -0.2008710074 -0.0549013957 0.3023195939 -0.3781400988 -0.0738549845 0.2812046158 0.0910033781 0.0476686761 0.0028294139 0.2121406621 0.0087123323 0.0149144318 0.3425183172 0.1086461692 -0.2285281495 0.0045406482 -0.0019884258 -0.0034626766 0.0122708012 -0.0127472267 0.0185965196 0.0154272495 0.0054602251 -0.0076407126 -0.0274263594 -0.0033035937 -0.0364113947 0.0013304692 0.0044942822 -0.0233026697 -0.0274047148 -0.0285815776 -0.0695199098 -0.0188115763 -0.0261500217 -0.0703318892 0.0658081784 0.0149383412 0.0188413202 0.1832920467 0.0825839209 0.0370645803 0.1355703557 0.0665966321 0.0803690268 -0.0678477666 0.0217029395 0.0382103019 -0.1455506188 0.0461408094 0.0833478693 -0.1149620867 0.0392879632 0.0605040394 0.0420756818 -0.0775190284 0.0032010482 -0.1176226091 0.0452779760 -0.0787652574 -0.0875975777 0.0919512783 -0.0359969795 -0.3599131893 0.0866576509 -0.1764124451 0.0699100658 0.0588499165 0.0163702428 0.0124727332 -0.0112353487 0.0765022199 -0.0300528524 -0.0140015201 0.0013645349 0.1013942359 0.0413364319 0.0626846241 0.0114809941 0.0313285280 0.0499852438 0.0098226881 0.0124804625 0.1204798475 -0.1133408450 0.0562055420 -0.1233799867 -0.1536834298 0.1662423639 -0.0862826702 -0.4305743172 -0.0064651175 -0.1639791924 0.0311597964 -0.1030257789 0.0719894928 0.1505931046 -0.0427558892 0.0327820859 0.2599554434 -0.1986270899 0.1342246484 0.0126826966 0.0071419794 -0.0666124431 -0.0057728738 0.0108789278 0.0039020179 0.0595622958 -0.0807777934 0.0575444271 0.1696625228 -0.2388129526 0.0339831474 -0.0020540541 0.0022406541 -0.0275285639 0.0081069310 0.0037703063 0.0079697250 0.0088103905 0.0000094374 -0.0410545800 -0.0227683007 -0.0141204094 0.0064593208 -0.0303880016 -0.0073863391 0.0326281399 -0.0078703121 -0.0042322206 -0.0126815323 -0.0113160773 0.0028444827 0.0049619475 -0.0403418228 -0.0059729286 0.0008655801 0.0077577191 0.0061367311 0.0111942832 -0.0308660260 -0.0186378419 0.0505659781 -0.0013576197 -0.0056509597 -0.0043425174 0.0077470487 0.0053509533 -0.0091298258 -0.0013191130 -0.0025780673 0.0008634133 -0.0123639696 -0.0046164761 -0.0360600788 -0.0150231386 -0.0084408841 -0.0532944694 -0.0534255597 -0.0191503839 -0.0735063602 -0.0098067071 0.0108452678 -0.0018684242 -0.0599276447 -0.0160532622 -0.0588254782 0.0588729946 0.0293044337 0.0387236263 0.1197865319 0.0515167234 0.0651001487 0.1832508043 0.0744636697 0.0840493444 -0.0798045324 0.0177014591 0.0370464646 -0.1229017080 0.0414606990 0.0811898002 -0.1046451458 0.0086886205 0.0511923597 0.0378471274 -0.0661146427 0.0048595461 -0.0682910866 0.0609398807 -0.0321595017 -0.0636674642 0.0364524232 -0.0454586473 -0.3292458465 0.1608106139 -0.2039219680 0.0949706779 0.0014501991 -0.0362461718 0.0344118052 0.0883945971 -0.1377897376 0.2516666183 0.1461945257 0.0255300634 -0.1230794028 -0.0319982870 0.0175271058 -0.2554213409 -0.2225058969 0.1734556943 -0.1639876938 -0.1154892799 -0.0479852467 0.1159054973 -0.0522083121 0.0741205347 0.2190076510 -0.0501881528 0.1373173410 0.2740704694 -0.0753151749 0.1600436588 -0.0373069201 0.0912913494 -0.0345478062 -0.1711127514 0.1047997351 -0.0988325460 -0.1442399833 0.0852897283 -0.0891981347 0.0067791401 -0.0200446848 0.0136746619 -0.0061795843 0.0100777878 0.0078224610 0.0253262317 -0.0535735939 0.0121903108 0.1172283837 -0.1382058722 0.0043396388 0.0149249718 -0.0134014993 -0.0322140817 0.0041542513 0.0016188742 0.0038514352 0.0043237011 0.0007943621 -0.0200126747 -0.0118014028 -0.0071644415 0.0037970685 -0.0151009845 -0.0027217638 0.0145038942 -0.0055813606 -0.0015551585 -0.0069247696 -0.0113306774 0.0002148293 0.0033766601 -0.0183623016 -0.0040627230 0.0007532590 0.0060601933 0.0032247089 0.0063373534 -0.0101108206 -0.0067609807 0.0217446052 0.0038999068 -0.0017857575 -0.0035605925 0.0007096335 0.0019869159 -0.0038225300 0.0003345467 -0.0012746298 0.0008135518 0.0108111080 0.0183844927 -0.0142636393 0.0061096721 -0.0086937264 -0.0455136093 -0.0857719037 -0.0402767484 -0.0857501912 0.0172561213 0.0437287360 0.0733516731 -0.0759981715 -0.0010286006 -0.0235498716 0.0172594191 0.0252022094 0.0440613225 0.0099015089 -0.0017578055 0.0709494143 0.1152381120 0.0355089689 0.0458147860 -0.0419577560 -0.0041601746 0.0032762867 0.0006064987 0.0070215031 0.0239874116 -0.0057081296 -0.0640632537 -0.0065705115 -0.0216249816 0.0198308871 0.0038009793 0.0174801731 0.0163801163 0.0111177686 -0.0250610748 0.0131188327 -0.0152578227 -0.0488831699 0.0438152830 -0.0321192177 -0.0089416808 -0.0256626467 0.0115770176 -0.1108750533 -0.0368611531 -0.0000562894 0.0188548924 0.0156382432 0.0487568485 0.0120377963 0.0250997553 -0.0104529508 0.0432383670 0.0141468344 0.0106032577 0.0832286297 0.0421370468 -0.0643362018 -0.0153261874 -0.0156392263 -0.0067439042 -0.0446092856 -0.0074394426 -0.0191647656 -0.0603937603 -0.0116539482 -0.0284287068 0.0105251410 0.0055500293 0.0029543654 -0.0294132024 -0.0007728489 -0.0050587336 -0.0238414975 -0.0056845978 -0.0174584207 0.0302117660 -0.0435101978 0.0258438057 0.0009496398 -0.0023107961 0.0146350382 0.0201788104 0.0042071054 -0.0117929243 0.0227291779 -0.1103484287 -0.0462745605 0.0223521917 -0.0163700160 -0.0091297403 -0.0851587374 -0.0277286794 -0.0698393564 -0.0846857297 -0.0195255719 0.3944097392 0.2443924271 0.1331717951 -0.1097656398 0.2915710182 0.0496148615 -0.2713339557 0.1136504719 0.0336885258 0.1381519543 0.2386533943 0.0125594326 -0.0410543950 0.4117071213 0.0559737351 0.0083499475 -0.1338977847 -0.0541229647 -0.0803960127 -0.0059828888 0.0628625865 -0.2571776099 -0.1121328566 0.0099585086 0.0448824822 0.0378131498 0.0412798149 0.0231905409 -0.0111094780 -0.0084480590 0.0000926420 -0.1521984706 -0.1852686827 0.0281141294 -0.0136528032 0.0326206355 0.1087280160 0.2089238840 0.0833061510 0.2369196413 -0.0203417126 -0.1238690442 -0.1464153147 0.1661508029 -0.0239953377 0.0092842730 -0.0457704210 -0.0818331679 -0.0992943077 0.0053915624 0.0225319572 -0.1859155545 -0.3738731975 -0.1067465318 -0.0898338998 0.0994906116 0.0309693441 -0.0144719528 0.0096008105 0.0248715605 -0.0245648420 0.0738275683 0.0869189550 -0.0094211437 -0.0114646997 0.0019962872 0.0155473993 -0.0347043871 0.0018616311 0.0115560194 0.1445324730 -0.1032531870 0.0579170735 -0.0897242339 0.0780779309 -0.0897146669 0.0364624429 0.0319301559 -0.0745791992 0.0338329598 0.0246750070 -0.0686059224 0.0336788337 0.0312348702 -0.0748964360 -0.0272730514 -0.0361743791 0.0732871302 -0.2296949823 -0.1352388492 0.1131645109 -0.1809963622 -0.1129149951 0.1377167571 0.0476049100 0.0358491608 -0.0351814699 0.1596221160 0.1305604454 0.0831342000 -0.0195419213 -0.0547433229 0.0495753965 -0.0361464631 -0.0188461857 0.0231352290 0.0491808349 0.0639010065 -0.0514284328 0.1521282495 -0.0806095716 0.0784610096 -0.0584596628 0.0985611217 -0.1218743015 -0.0048390695 0.0011581920 0.0426773341 0.0212043870 -0.0052788045 -0.0577818475 0.2201921288 -0.2860375748 -0.1142940546 -0.0383515220 0.0279928222 0.0070725526 -0.0214153038 -0.0067082537 -0.0186867300 -0.0210130004 -0.0050030681 0.0986682275 0.0637353015 0.0347393437 -0.0295398868 0.0754891979 0.0122920906 -0.0693883458 0.0296155266 0.0068240634 0.0374216403 0.0703215272 0.0054380656 -0.0117589664 0.1012664401 0.0169419855 0.0006069872 -0.0377907073 -0.0115681229 -0.0192052272 -0.0068626058 0.0099192013 -0.0548523025 -0.0272306244 0.0035236607 0.0012424872 0.0095716226 0.0113792503 0.0020895830 -0.0017220009 -0.0030346765 0.0022255414 -0.0146551827 -0.0264766614 0.0157346987 0.0327153333 -0.0250302732 -0.0910773260 -0.2141008249 -0.0967664273 -0.2110196550 0.0488449284 0.1326538885 0.2044698567 -0.1775949124 0.0228850172 0.0033333682 0.0018943486 0.0601079968 0.0988225399 -0.0917141222 -0.0575823078 0.1634812639 0.2200474381 0.0434388376 0.0480275773 -0.0402440737 -0.0519483860 -0.0401056676 0.0896881547 -0.0240909797 -0.0011444535 0.0485124654 -0.1757257539 -0.0638802854 -0.0386161423 0.0492933762 -0.0042367140 -0.0071931605 -0.0698657721 0.0310288300 0.2088759713 -0.1649746381 0.1048571422 0.1765266295 -0.0691209372 0.0670520506 -0.0045187769 0.0642204159 -0.0857505985 0.1812706193 0.0380633239 -0.0189707507 -0.0600217259 -0.0324851842 -0.1816609293 -0.0057130729 -0.0710251941 0.0790801257 -0.2095565391 -0.0737634667 0.0179800688 -0.2171261344 -0.1187077354 0.2441551434 0.0392812155 0.0763117321 -0.0408646113 0.1464337181 0.1476875274 0.0609588101 0.0038635910 -0.0046827897 0.0445664694 -0.0421770321 -0.0525741818 0.0239971581 0.1459268785 0.0287023080 -0.0087506935 0.2166620859 -0.0828224879 0.1262692421 -0.1096042210 0.1705390461 -0.1583835307 0.0040658168 -0.0026628972 0.0162661224 -0.0130070267 0.0589040893 -0.0523202107 0.0381745170 -0.0070445400 -0.0687237682 0.0248684822 -0.0043682074 0.0196489001 0.0048283344 -0.0026474615 0.0047150834 0.0026342414 0.0084565366 -0.0189943481 -0.0189855298 -0.0063568550 0.0225577746 -0.0150666435 0.0029912778 0.0031214025 -0.0082601575 0.0057623396 -0.0101726704 -0.0409632310 -0.0097707662 -0.0025400890 -0.0045339527 -0.0073831484 0.0043405376 0.0129359218 -0.0063060668 -0.0011667259 0.0252233573 0.0147401328 -0.0289721756 0.0100899466 0.0048444942 0.0307019178 -0.0077564341 -0.0023500695 0.0092309406 0.0025209879 0.0018983816 -0.0018178890 0.0001784918 0.0065660446 0.0145162110 0.0167016083 -0.0005097550 -0.0269532132 -0.0706326405 -0.0408486660 -0.0491894275 0.0320312572 0.0370528753 0.0927257113 -0.0762786653 -0.0044184961 -0.0174920405 -0.0115440915 0.0037623741 0.0376683480 -0.0431218174 -0.0177011679 0.0362609870 -0.0125401169 -0.0137294121 0.0147104185 0.0066058076 -0.0158654879 -0.0390183267 0.0467641164 0.0234821242 0.0202501234 0.0698384619 -0.1120563715 -0.0530813837 -0.0243940519 0.0236494262 0.0059125916 0.0465260489 0.0613746947 0.0798521950 0.1701241232 -0.1319981023 0.0495618569 -0.0955108786 0.1962247363 -0.1087491390 -0.0067268034 -0.1008239170 -0.0164031141 -0.4647001539 -0.1349093735 -0.0861812680 0.1169915200 0.0902829101 0.1645447581 0.0144033009 0.0787732509 0.0117336445 0.0265100236 -0.0504969362 0.1476957519 0.1650204790 0.0614838741 -0.1713818761 -0.0113735904 -0.0493382994 -0.0482851916 -0.0227850989 0.0610456604 0.0067395240 -0.2244496348 -0.1103430294 -0.0550282517 0.0107239209 0.0223706688 0.0262697807 -0.1085810594 0.0625221417 -0.0755501498 -0.0018094580 -0.0766071698 -0.0252368550 0.0823291213 -0.1048623906 0.0105404828 -0.0067873301 0.0016965293 0.0646204692 -0.0256064212 0.0051737980 -0.1124477411 0.2716801994 -0.3252084784 -0.1751172236 0.0021289048 0.0103394511 0.0113001016 0.0224553748 -0.0061201139 0.0134521638 0.0154393318 0.0304559470 -0.0886807186 -0.0707509854 -0.0262975078 0.0718493433 -0.0618023004 0.0088331174 0.0178744516 -0.0380574601 0.0118579071 -0.0328318652 -0.1310733561 -0.0277267213 -0.0049698024 -0.0529649597 -0.0241164819 0.0163644542 0.0494701229 -0.0071673640 0.0097938452 0.0598499381 0.0278289681 -0.0323926484 0.0460160870 0.0077803675 0.0504690099 -0.0258494799 -0.0076470121 0.0155912136 0.0039457800 0.0050883657 -0.0063363917 0.0678793174 0.0904856605 0.0400506558 -0.0052382452 0.0046488265 0.0106490525 0.0332871099 0.0101814676 0.0318519687 -0.0064150376 -0.0223231751 -0.0312254793 0.0193961557 -0.0016067550 -0.0005301509 0.0011307503 -0.0097115206 -0.0129916296 0.0316468406 0.0144841183 -0.0166120311 -0.0284453786 -0.0023064312 0.0017257658 -0.0010874962 0.0133498111 0.0109516339 -0.0066284734 0.0049617807 0.0001899085 -0.0137853825 0.0218248017 0.0152220370 -0.0156819056 0.0017644143 -0.0003397024 -0.0079677919 -0.0082257975 -0.0267181408 -0.0427166667 0.0540763638 -0.0139547123 -0.0294865829 -0.0317078057 -0.0007633007 0.0007956965 0.0206068393 0.0164654523 0.0925042337 0.0249252619 0.0332382271 -0.0321393132 -0.0244801979 -0.0226659689 -0.0019314452 -0.0145314878 -0.0135535331 0.0071834272 0.0195872005 -0.0451817553 -0.0154856149 -0.0004123844 0.0196291759 -0.0028627796 0.0081474401 0.0168945030 -0.0067015032 -0.0313567766 -0.0074670090 0.0555279586 0.0350697637 0.0064916781 0.0019135824 -0.0029718986 -0.0095698824 0.0196161394 -0.0230031476 0.0243194462 -0.0175200804 0.0288725517 -0.0034538463 -0.0128806352 0.0133121424 0.0129410752 0.0038969034 -0.0003887970 0.0006087592 0.0210649171 -0.0060739340 0.0207996629 0.0159447500 -0.0199586259 0.0183029065 0.0037838407 -0.0072791225 -0.0069312090 0.0277299264 -0.0722606493 -0.0099274355 -0.0128567792 0.1573165553 -0.0516710413 -0.1075388769 0.0088631433 0.2806855269 -0.0051191272 0.1105607378 -0.2311945551 -0.0760703299 0.1111242302 -0.0081146888 -0.4121288872 -0.1290082417 -0.0950755756 0.1468206998 -0.0893579857 0.1619142695 0.1149862470 -0.1160940623 -0.0458534890 0.1642042150 0.1968571251 -0.4094943306 0.0727092110 0.0201377480 0.3529474377 -0.0354364105 0.0673500408 0.1079228640 -0.0017293657 -0.0033543063 -0.0395038813 -0.2575929661 -0.1363136609 0.0230263210 0.0398917853 0.0227108044 -0.0399542788 -0.1185724563 -0.0903404938 -0.0231939551 0.0926968360 0.0334792707 0.2029435117 -0.1719623110 -0.0502772697 -0.1018342714 -0.0425715580 -0.0455722667 0.0817589241 -0.0553474122 -0.0003174363 0.0112142934 -0.2207043037 -0.0879772725 0.0515429829 0.0661672703 -0.0260102692 -0.1572057060 0.1897545810 0.1286262505 0.0669778886 0.1720254422 -0.3108644574 -0.1456725100 -0.0304926951 0.0329880602 0.0014765028 -0.0323909831 0.0124288925 -0.1127030783 -0.1050490997 0.2103270817 -0.0489904853 -0.1526828938 -0.0974452952 -0.0159519330 0.0249025373 0.0442071928 0.0681875999 0.1353545850 0.0346472716 0.1030504673 -0.1000950631 -0.0765695518 0.0019894669 -0.0068409681 -0.0173634361 -0.0564797989 0.0401106165 0.0396480836 -0.0989611691 -0.0355393491 0.0028312755 0.0006316632 -0.0184498880 0.0005923922 0.0542500149 -0.0102087911 -0.1221551890 -0.0102305721 0.1307678064 0.0897198574 0.0025123002 0.0166728626 0.0063515665 -0.0307270056 0.0099848186 -0.0654319879 0.0622191755 -0.0962549850 0.0920236290 -0.0416100826 -0.0045344395 -0.0058196233 0.0695537417 0.0005884116 0.0006801099 0.0109528687 0.0424358416 -0.0731918716 0.0437267907 0.3252990742 -0.4216714432 -0.0185857008 -0.0479247873 0.0728485467 0.0951373907 -0.0017890010 0.0056992875 0.0010407965 0.0011099421 -0.0101196343 0.0032084493 0.0067083069 -0.0002869730 -0.0191879443 -0.0016753945 -0.0086996532 0.0194246338 0.0040368888 -0.0070380306 -0.0011099449 0.0129635836 0.0047983718 0.0121293338 -0.0061911385 0.0075403020 -0.0152762508 -0.0045100751 0.0089378805 0.0039914323 -0.0124159873 -0.0164981919 0.0345636373 0.0005323827 0.0017028210 -0.0228442155 -0.0004529347 -0.0064155448 -0.0080846418 0.0003420303 0.0003284979 0.0028851868 0.0457253646 0.0431847800 -0.0012995768 0.0088161102 0.0746009499 -0.0340966593 -0.0208355305 -0.0683333292 0.1373985555 0.1073607624 -0.0928435140 0.1444552967 -0.1816443719 -0.1474911838 -0.2965793297 0.0088422550 -0.1137839553 0.0753228095 0.0502602979 0.0992047735 -0.1512066513 -0.2583071005 -0.0415446362 0.2150071448 -0.0083997249 0.1041845489 -0.0942120314 0.0460090658 0.3047161640 0.2127570263 -0.0476541299 -0.2250543006 0.0038685568 0.0597315798 -0.0816527398 0.0058751276 0.0037154139 0.0067581932 0.0599588143 -0.0422176130 -0.0857130786 -0.0165334675 0.0310021484 0.0897441717 -0.0239658591 -0.0096418641 -0.0230781778 -0.0399747183 -0.0220065643 0.0115661989 -0.0768843124 0.0558213614 0.0477283076 0.0047818020 0.0003079582 0.0151231366 0.0362231555 -0.0067747185 -0.0190109789 0.0689388907 0.0145857370 -0.0068437048 -0.0091564963 0.0133173477 -0.0070299025 -0.0334085865 -0.0073593589 0.0757969569 0.0017046008 -0.0666932649 -0.0660244370 0.0078010468 -0.0099573740 0.0012824275 0.0205366993 -0.0205511966 0.0482697746 -0.0460473525 0.0508031006 -0.0593264462 0.0196961845 0.0105149602 -0.0058883373 -0.0408198146 -0.0054852384 0.0159058862 -0.0664874665 -0.0003733106 0.0067682118 0.0149604721 -0.3422356972 0.4234548247 0.0949489869 -0.0025989825 -0.0207177725 0.0433110619 -0.0007131000 -0.0049527779 -0.0027703364 -0.0030563223 0.0095426269 0.0085757080 0.0015642778 0.0051999027 0.0139613333 0.0062890516 0.0057685037 -0.0177819021 -0.0002185877 0.0073813332 0.0035464811 -0.0114189786 -0.0053223382 -0.0081027232 0.0126843224 -0.0048822703 0.0146562945 0.0026875449 -0.0086000290 -0.0036283238 -0.0137377669 0.0105808833 -0.0197725874 -0.0019624541 -0.0057588854 0.0107989088 0.0026330797 0.0108734507 0.0050478568 -0.0001515998 -0.0021499785 -0.0019023829 -0.0521078810 -0.0426715689 -0.0138037058 -0.0235467513 0.0849070328 -0.0069444086 0.0829011102 -0.0178234766 0.2235939545 0.0725653492 -0.1667327756 0.0202228765 -0.0752832584 -0.1413267397 -0.2940367847 0.0327085596 -0.1108228801 0.0164917007 0.0973874511 0.1163425084 -0.2084334000 -0.0382617564 0.0625781067 0.2631943859 -0.1015707583 0.1668051080 0.0756347775 0.0526605304 0.1360041697 0.0470009310 -0.1562281835 -0.0618495514 0.1356758208 -0.1067400315 0.1542253195 -0.0355304557 0.0108628082 -0.0334855174 -0.0448731521 0.1411590228 0.0291940374 0.0668932188 0.0680446569 -0.1409394580 0.0811454801 -0.0049636906 0.0267101767 0.0381762054 -0.0308015047 -0.0510680068 0.1086273897 -0.0127857675 -0.0349416370 -0.0474079905 0.0099432691 -0.0306686750 -0.0388734694 -0.0179598161 0.0242641229 -0.1056422990 0.0002546853 0.0195440154 0.0401783296 -0.0164718398 0.0217778526 0.0384314513 0.0169421580 -0.0852314515 -0.0037423307 0.0571722113 0.0951950227 -0.0221579746 0.0084387914 -0.0118615763 -0.0264974831 0.0541864794 -0.0691191964 0.0673406103 -0.0405843476 0.0733495123 -0.0091945508 -0.0304395436 0.0283461166 0.0406943512 0.0114133607 -0.0197481777 0.0453743496 -0.0260064321 0.0511966162 -0.0253435124 0.2907364608 -0.3643677683 -0.1122714210 0.1190021792 -0.1833551769 -0.0566773488 0.0040075171 0.0173576617 0.0070078454 0.0112560789 -0.0298995758 -0.0274651110 -0.0094494109 -0.0119532386 -0.0335563198 -0.0245187135 -0.0257826446 0.0697666926 0.0000156421 -0.0253583649 -0.0145009991 0.0176995596 0.0082775186 0.0307485114 -0.0561905037 0.0228632723 -0.0561730318 -0.0029664685 0.0195667385 0.0109913014 0.0881260971 -0.0051061937 0.0128185205 -0.0072600708 0.0035026903 -0.0213135619 -0.0131689221 -0.0297003207 -0.0042533975 -0.0002839027 0.0090446951 -0.0016730497 0.1155082562 0.0867541910 0.0594966680 0.0003727265 -0.0032208917 -0.0002272337 -0.0030205519 0.0019333245 -0.0094688705 -0.0039303957 0.0069574345 -0.0014044641 0.0007818008 0.0029267192 0.0071468052 0.0016318655 0.0043060088 0.0009424659 -0.0072007143 -0.0036872614 0.0039788796 -0.0082305922 -0.0054450368 -0.0108796529 0.0053514872 -0.0044452208 -0.0072914985 -0.0290777896 0.0160571369 0.0235894803 -0.0019777113 0.0063725555 -0.0032594140 0.0275470750 -0.0396441045 0.0034402776 0.0296746479 0.0202456518 0.0393529706 0.0380087514 -0.0325759783 0.0161236022 -0.2457987000 0.1130419321 -0.1250545387 -0.0072289909 0.0047354534 0.0136935349 -0.3475762135 -0.1901876922 0.1254419882 0.2792961422 0.1240572737 -0.0950348038 0.0253530362 -0.0858380528 -0.0412303425 -0.3862990608 -0.1323107181 -0.1235171698 0.2668985698 0.1803114392 0.0605946324 -0.0069551178 0.1024250274 0.0830898007 0.0067394747 -0.1185320534 -0.0330885060 -0.0398146431 0.2647434571 -0.1221163831 -0.0048732217 -0.0647927059 -0.0653565586 0.2260020235 -0.1707639083 0.1690593579 0.0127086371 0.1779002209 0.0532645406 -0.1457579526 0.1347573208 0.0674214908 -0.0051194833 0.0057226160 -0.0034741431 -0.0134981774 0.0043519713 -0.0233647685 -0.0697034391 0.0701050047 -0.0119672862 -0.0091668283 0.0122522583 0.0017033929 0.0000261516 -0.0004167245 0.0000890936 -0.0001251096 0.0008887590 -0.0000128890 0.0003143879 -0.0001786340 0.0002375812 0.0002599420 0.0008968264 -0.0017341295 0.0001558633 0.0005299671 0.0004442920 0.0032875626 0.0013022469 -0.0015609228 0.0036784570 -0.0009561550 0.0011324562 -0.0017587645 -0.0000317532 0.0012223539 -0.0046761515 -0.0004476622 0.0021787159 0.0008666691 -0.0009648740 -0.0050843850 0.0008715580 0.0013607746 -0.0016737837 0.0005718130 -0.0007561480 0.0009567654 -0.0027559849 0.0001090550 -0.0103431467 -0.0019892057 0.0021632198 -0.0003234711 0.0033806743 0.0079089504 -0.0009745850 -0.0016011056 0.0024488445 0.0027442105 -0.0031361786 -0.0128347279 -0.0211681187 0.0056359178 0.0009113853 0.0028243947 -0.0303941403 -0.0089510811 -0.0153264534 0.0117591539 0.0050990245 0.0082327360 -0.0002918832 0.0002159187 -0.0021525616 -0.0335206015 0.0182783129 0.0265652577 -0.0209396300 0.0098919318 0.0084790130 0.0247874648 -0.0357185410 0.0072425326 -0.0327316282 -0.0293958234 0.0094694931 0.4384762220 -0.1752131153 0.2098654741 -0.1732789216 0.0008722539 -0.0593700534 0.0441792931 0.0480914021 0.0191780057 -0.1289961951 -0.0883298967 0.1182143375 -0.3321816185 -0.1707459511 0.0654362852 0.0278250623 0.0325614164 -0.0357058720 0.0353598348 -0.0047424558 0.0119580529 -0.2785099243 -0.1384403250 0.0652325636 -0.0356460167 -0.0323133577 0.0304047697 0.1430744216 -0.1327719778 0.0785294926 -0.0512664205 0.0332426102 -0.0568478939 0.0328450037 0.0160656884 -0.0259446429 -0.0458674848 -0.0603867287 0.0431615284 -0.1258149456 0.0702509983 -0.0723665879 0.0284029823 -0.0267902171 0.0655981418 -0.0036356572 0.0055325944 -0.0096210629 -0.0093720958 0.0398304396 -0.0309366177 -0.0264518964 0.0834862976 -0.0211543823 -0.0019279073 0.0005342826 -0.0018302796 0.0140439821 -0.0551850023 -0.0052970452 -0.0137239960 0.1103198983 -0.0060435300 -0.0219978714 0.0133471334 0.1589153129 0.0010630860 0.0613056282 -0.1482534175 -0.0132381025 0.0560068231 0.0128429304 0.1449810935 0.0367722597 -0.2167322511 -0.0396345529 -0.0640585946 0.1749231387 -0.0244172886 -0.0019368080 0.0114733703 -0.1725990089 -0.0640362120 0.1283663241 0.1904789873 0.0749419621 -0.1388148235 0.0098143305 -0.0085192448 -0.0251151168 0.0049697134 -0.0044927440 0.0119487156 0.0188863499 0.0038762754 -0.0355706692 0.0021002564 -0.0059955061 -0.0004919536 -0.0078849798 -0.0069706680 -0.0090904898 -0.0038403639 0.0028878262 -0.0096601228 0.0019883872 0.0172873919 0.0305379260 -0.0008254922 0.0045191535 -0.0006664097 0.0274964289 0.0080927411 0.0202893215 -0.0303519600 -0.0131143012 -0.0210042609 0.0034242023 0.0012002227 -0.0043394692 -0.0255956991 0.0199451081 0.0244738756 -0.0081415485 0.0096488735 0.0019257572 0.0148441703 -0.0327978133 0.0030486296 -0.0158072784 -0.0172345697 0.0109181705 0.2569317645 -0.1125831309 0.1216968206 -0.1465630142 0.0109408026 -0.0500309467 0.0280469462 0.0314284082 0.0094172769 -0.0748461995 -0.0526319194 0.0714420245 -0.2257016020 -0.1134654337 0.0437083268 0.0178021902 0.0221553590 -0.0211096790 0.0174508965 -0.0063766263 0.0132253999 -0.1803142980 -0.0907333032 0.0410798890 -0.0220724202 -0.0208644870 0.0183467411 0.0896520359 -0.0814839663 0.0498840735 -0.0342728244 0.0191743782 -0.0359226740 0.0207522668 0.0101441118 -0.0156181710 -0.0304242367 -0.0365540014 0.0255088704 -0.0790050967 0.0428147656 -0.0454495831 0.0181885061 -0.0162477085 0.0394660911 -0.0018239320 0.0056184474 -0.0031834289 0.0012362153 0.0187491067 -0.0195050470 -0.0370883288 0.0876655483 -0.0039260590 -0.0053077823 0.0057269754 -0.0000618665 -0.0224865401 0.0851702818 0.0095534807 0.0207638461 -0.1700730488 0.0077046884 0.0371573864 -0.0204472754 -0.2483583008 0.0024241069 -0.0923775711 0.2256655371 0.0242576012 -0.0832731299 -0.0175273877 -0.2236615109 -0.0564383147 0.3355612049 0.0992159658 0.1013991369 -0.2790310226 0.0206162732 -0.0053773790 -0.0152962306 0.2688584114 0.0943311740 -0.2096220684 -0.2757697757 -0.1027029833 0.2139713040 -0.0065685423 0.0275886539 0.0350891449 -0.0020712497 -0.0001353956 -0.0127141463 -0.0883608302 -0.0415482891 -0.0033490368 -0.0286014481 0.0891280268 0.0145609394 0.0386384606 0.0225046043 0.1771648699 0.0485146596 -0.1755424981 -0.0431149358 -0.0267350963 -0.1396753555 -0.2935706370 0.0227624375 -0.0323262387 -0.0019159152 -0.4996664036 -0.1424750943 -0.3223882816 0.5121870520 0.1951677209 0.2521156409 0.0050033643 -0.0744281697 0.0116726409 0.1236480094 -0.1606916851 -0.1275315113 0.0391404349 0.0261069904 -0.0273549210 0.0080334560 -0.0111043219 -0.0021238724 0.0017976185 0.0009441769 0.0018992443 -0.0114963381 0.0017510744 -0.0059992152 -0.0208108518 0.0086420362 -0.0109043934 0.0025507587 -0.0007318786 -0.0011895881 0.0080891146 0.0053681861 -0.0060494107 -0.0207608361 -0.0085762337 0.0099933249 -0.0007942747 0.0026782395 0.0001273169 -0.0119296253 -0.0094312369 0.0097603451 0.0038909939 0.0021829817 -0.0056947738 0.0005101436 0.0000351672 0.0009902007 -0.0012538235 -0.0001780343 0.0000721146 -0.0051016856 0.0021574281 -0.0035410007 0.0003629094 -0.0004263654 -0.0004089204 0.0002494432 -0.0006696639 0.0000776190 -0.0013281683 0.0021330522 -0.0000067647 -0.0009564422 0.0014319056 0.0000828786 -0.0003121618 -0.0002002505 0.0105804076 0.0001052821 -0.0066310079 -0.0011108095 0.0031795680 0.0073197743 0.0036315032 -0.0199371601 0.0465573092 -0.0027294698 -0.0028060628 0.0056615070 0.0003602322 0.0002376370 -0.0118823916 0.0045810661 0.0043890225 -0.0016358940 -0.0206621927 0.0024658908 -0.0040194735 0.0108977214 0.0022646675 -0.0030036150 -0.0000787279 -0.0301741178 -0.0064312878 0.0326464467 0.0214062349 0.0039688184 -0.0156698182 0.0038803366 -0.0028169653 -0.0035496867 -0.0074811290 0.0007024010 -0.0059283333 -0.0199080323 -0.0067558142 0.0250778414 -0.0001769486 0.0083386386 0.0011804741 0.0012232017 -0.0026062847 0.0005321175 -0.0237949882 -0.0119348939 -0.0137907367 -0.0016446979 0.0005327683 0.0009756367 0.0018976398 0.0045296687 -0.0006589387 -0.0030612620 -0.0011319107 -0.0059900025 0.0009696065 -0.0040559907 -0.0063943656 0.0042819394 0.0025100304 0.0006951254 -0.0232712942 -0.0067567724 -0.0111673073 0.0045427213 0.0006380504 -0.0018324783 0.0005522470 -0.0009381155 -0.0022835819 -0.0329723571 0.0140564344 0.0225084310 -0.0012650497 0.0013253140 -0.0011237806 0.0129137422 -0.0231146180 0.0011751333 0.0186420868 -0.0083011170 -0.0012627208 0.2366326838 -0.0328426003 0.1138123587 -0.3017881968 0.0349432056 -0.1165475506 -0.0183699743 0.0431856331 0.0510684093 -0.1103637060 -0.0960685018 0.1674371310 0.1139787031 0.0336662792 -0.1084337844 -0.0124035780 -0.0672721007 -0.0340015044 0.2139588500 0.1823791427 -0.2296011803 0.0544685265 0.0297998291 0.0253720011 0.0113033024 0.0014897099 -0.0397848895 -0.3474137049 0.1293230369 -0.1784478179 0.4680976759 -0.1206270573 0.2709109953 -0.0333238784 0.0197696610 0.0644519063 -0.0500944091 0.1404259552 -0.1021706355 0.1192925132 -0.1758153514 0.0466396101 0.0521891053 -0.0499210431 -0.1013812781 -0.0027149277 0.0036124591 -0.0002151924 -0.0109346529 0.0177430461 -0.0204677889 0.0025514656 0.0088205656 -0.0222725730 -0.0010806445 0.0013431194 -0.0002415575 0.0060499035 0.0029462398 0.0048469398 0.0069738415 0.0000762794 -0.0305138393 -0.0076865046 -0.0107991131 -0.0088743315 -0.0110599947 0.0049171492 0.0058585888 -0.0108137468 -0.0033674947 0.0014130623 0.0270316979 0.0092774763 -0.0178037341 0.0487005127 0.0124505630 -0.0393820857 -0.0154121595 -0.0036403083 0.0094683377 0.0551088157 0.0125722636 -0.0317670481 0.0497446267 0.0205638444 -0.0311752212 0.0041186299 0.0035455337 -0.0021193281 0.0025737461 -0.0031363295 0.0023578710 -0.0114777157 0.0069247748 -0.0440860755 0.0012766906 0.0003122388 -0.0006672396 -0.0065051895 -0.0059360707 0.0025108779 0.0020699850 -0.0059607708 -0.0047990451 -0.0031208031 0.0040013204 0.0053919631 -0.0005866839 -0.0004780409 -0.0001351418 0.0088745175 -0.0008189080 0.0091624454 -0.0054608525 0.0016064198 0.0032154824 0.0007668221 0.0017922678 0.0007190197 0.0009608011 0.0027240540 0.0018512824 -0.0189694073 0.0092214827 0.0102357498 0.0055281809 0.0003707243 0.0036630641 -0.0004589663 -0.0004038448 0.0008401589 0.0292926354 -0.0034876584 0.0175244284 -0.0145233671 0.0037039096 -0.0072160135 0.0021732352 0.0114307833 0.0046381903 -0.0741167449 -0.0416106134 0.0393307984 0.0263403008 0.0067521340 -0.0294215168 0.0033366407 -0.0112556274 -0.0070555352 0.0391090709 0.0311565411 -0.0411165418 -0.0330712861 -0.0172645970 0.0250874477 -0.0010487335 -0.0019549058 -0.0042896198 -0.0413218371 0.0077068464 -0.0223864301 0.0702745278 -0.0190888554 0.0410231569 -0.0030828746 0.0044306822 0.0081146124 -0.0111837220 0.0174490941 -0.0125508875 0.0098697579 -0.0229015627 0.0018185678 0.0101125352 -0.0103015724 -0.0103546663 -0.0006848660 0.0001146545 -0.0043806750 -0.0060962982 0.0050175331 -0.0028482387 0.0153681495 -0.0087871854 -0.0046292693 0.0006227987 -0.0027334280 -0.0015708253 -0.0528185699 -0.0160472873 -0.0358466316 -0.0567395900 -0.0128067529 0.2528168252 0.0694181028 0.0904104891 0.0549557214 0.0906113818 -0.0532300648 -0.0180230313 0.1050014486 0.0300280103 -0.0187167643 -0.2732347703 -0.0845120453 0.1960917202 -0.3391451788 -0.0945047033 0.2938886221 0.0866927637 0.0228702307 -0.0617541497 -0.4451427552 -0.1329969896 0.2808235652 -0.3408380920 -0.1287445066 0.2196209362 -0.0305362419 -0.0180479186 0.0022956796 -0.0051651877 0.0116591112 -0.0046462951 0.0625257796 -0.0094194633 0.1855076769 -0.0023218560 0.0003079874 0.0025099857 0.0052819591 0.0063099495 0.0006375203 -0.0018372962 -0.0039999727 -0.0047219444 0.0100548360 -0.0026133360 -0.0034422000 0.0018992729 0.0017228160 -0.0031650845 -0.0153065629 -0.0052341012 -0.0106925594 0.0092440321 0.0019840803 -0.0043910902 -0.0045372511 -0.0020834208 0.0009681056 -0.0086944589 -0.0081064303 -0.0063353774 0.0603707737 -0.0314266978 -0.0300317702 -0.0095583355 0.0167408032 -0.0087328308 0.0245271101 0.0055342187 0.0359669389 -0.3459677264 0.0906947393 -0.1386729996 0.0342308294 0.0848611417 -0.0431353062 -0.0172376963 0.0536422741 -0.0292413237 -0.3370798439 -0.1809418972 0.1282570701 0.2513153741 0.1089448207 -0.2373556711 0.0396373702 -0.0269324809 0.0115972811 0.2665837265 0.1616094642 -0.1125479848 -0.4191416768 -0.2251618874 0.2481315572 -0.0181968608 -0.0263698393 -0.0104229948 0.1986110197 -0.0757550754 0.0899348877 -0.0611725474 -0.0525098196 -0.0029571540 0.0142419452 0.0184515684 -0.0115004605 -0.0405285780 -0.0245714912 0.0198500928 -0.0526977635 0.0098178881 -0.0463606770 0.0301468790 -0.0422657817 0.0440766050 -0.0000725903 -0.0020611107 0.0107327004 0.0064975680 -0.0279235423 0.0017940642 -0.0133570545 0.0262364364 0.0127178270 0.0012417960 0.0016712771 0.0038311596 0.0059557862 -0.0076361968 0.0009294547 0.0035800829 0.0067584151 -0.0176820447 -0.0133293907 -0.0083598698 0.0206700647 -0.0037736471 0.0111400300 -0.0222455671 -0.0099277942 -0.0116804714 0.0010274439 0.1290551187 0.0339911745 -0.0693028091 -0.0846911961 -0.0127989649 0.0281204980 0.0008731590 0.0128865700 0.0023112803 0.1174856071 0.0379041086 -0.0606570583 -0.0758782900 -0.0288724141 0.0178440162 0.0005219333 0.0014787545 0.0060560134 -0.0030953354 0.0022916165 -0.0035461354 0.0025890172 -0.0047273500 0.0242674268 0.0103511818 0.0034787182 -0.0101285642 -0.0144041794 -0.0314577190 0.0153247787 0.0198644379 0.0073038828 0.0388297700 -0.0332809926 0.0129119562 0.0127530637 -0.0216907291 -0.0165144748 0.0045514314 0.0944055862 0.0319684381 0.0459910604 0.0101249747 0.0098501453 0.0390198524 0.0126275694 0.0002490461 0.0055303915 0.1523294475 -0.0403977329 -0.0709906022 -0.1504765200 0.0925495159 0.0785824890 0.0041143337 0.0028489487 0.0045573179 -0.0031132961 0.0036210721 0.0030079937 -0.0463752783 0.0279903232 -0.0105632521 0.0607802445 0.0198196289 0.0006310963 -0.0081307049 0.0082816097 -0.0041206713 -0.0827045619 -0.0429662638 0.0293771493 0.1076214762 0.0482308777 -0.0642962443 0.0066165697 -0.0098848201 0.0052721179 0.0865934166 0.0524853357 -0.0351310997 -0.0887845774 -0.0472867809 0.0600279385 -0.0047235959 -0.0056872587 -0.0038636461 0.0706455906 -0.0197474524 0.0322589804 -0.0277680458 -0.0123764351 -0.0062510341 0.0032362410 0.0046877068 -0.0051352096 -0.0053800399 -0.0106523332 0.0101761404 -0.0099832452 0.0049692086 -0.0111236717 0.0073610650 -0.0144082629 0.0171093009 -0.0003067743 -0.0020132648 -0.0004983918 -0.0026997125 -0.0003615130 0.0014948157 0.0084341402 -0.0145935825 -0.0015456908 -0.0070686901 0.0056050310 -0.0136636812 -0.0067428050 0.0327606505 0.0053485117 0.0026471979 -0.0168133213 -0.0055509910 0.0316922041 0.0049295789 -0.0973823792 -0.0139719727 -0.0222098825 0.0821545671 -0.0009611066 0.0371173592 0.0062371983 -0.4193488004 -0.1083071034 0.2013966331 0.4302963851 0.0789855324 -0.1946810779 -0.0058292564 -0.0535553548 0.0026020847 -0.3808811469 -0.0951345654 0.1628946433 0.3745572331 0.1248388475 -0.1425014521 -0.0001398170 -0.0105592813 -0.0199896158 0.0073190652 -0.0053567900 0.0096249940 0.0203307488 0.0294137320 -0.0593050285 0.0294196693 0.0100891480 -0.0289970873 -0.0463747901 -0.0703365695 0.0133286412 0.0644537571 0.0306974867 0.1447450136 -0.0786569945 0.0098250848 -0.0038032551 -0.0630723268 -0.0503051918 0.0188072412 0.2652269462 0.0862709142 0.1354071017 0.0271488778 0.0309480273 0.1283496742 0.0379180805 -0.0082903315 0.0130938954 0.5308841279 -0.1450249090 -0.2455704666 -0.4674523939 0.2885531182 0.2375897593 0.0073008730 -0.0097556215 0.0016284756 0.0029509400 -0.0001085493 0.0061236383 -0.0109988584 -0.0089667301 -0.0067184865 -0.0358918119 0.0112393852 -0.0151373664 0.0062940763 0.0030293383 -0.0013644009 -0.0158988195 -0.0071080677 0.0032724797 -0.0375662131 -0.0186458825 0.0094233534 0.0019932444 0.0016851478 -0.0042696843 -0.0236886812 -0.0141643292 0.0043677552 -0.0020191024 -0.0007467711 -0.0032558155 0.0012658705 0.0002471616 0.0012889073 -0.0367321048 0.0044832093 -0.0182015088 0.0249065208 -0.0018365538 0.0122207193 -0.0011488294 -0.0002102499 0.0037258537 -0.0036588455 0.0082399945 -0.0077770759 0.0018575967 -0.0060488857 0.0024686690 0.0001540459 0.0033012487 -0.0086021410 0.0005830653 -0.0024952070 0.0148099835 0.0017666799 -0.0046702186 -0.0048100628 -0.0114846255 0.0173588152 -0.0005293265 -0.0287906829 0.0317235199 -0.0419517618 0.0030710986 -0.0121094194 -0.0010385026 -0.0005778666 0.0087321694 -0.0015256624 -0.0106115789 -0.0027212915 0.0339854634 0.0030795937 0.0094377712 -0.0303083225 -0.0006519946 -0.0123069915 -0.0019806618 0.1553987924 0.0403407359 -0.0774549081 -0.1445455715 -0.0268156988 0.0659404224 -0.0018725659 0.0177759264 0.0014724765 0.1368172944 0.0365710688 -0.0617035077 -0.1185468980 -0.0395521529 0.0388799315 0.0017333488 0.0056079893 0.0066899896 -0.0014446462 0.0004575606 -0.0027445735 -0.0157247682 -0.0088322944 0.0014522106 -0.0008112738 -0.0008948730 0.0002209951 0.0078316448 -0.0010360949 0.0067199347 0.0002058881 0.0002148886 0.0033211182 0.0063864007 0.0069190643 0.0101723537 -0.0029186268 -0.0008472885 -0.0044360882 0.0160592661 0.0079575627 0.0001825909 0.0062415609 0.0002555099 -0.0052270026 -0.0061216970 0.0036990130 0.0042711462 -0.0056090691 -0.0080614527 -0.0125103012 0.0616874188 -0.0339331610 -0.0268486089 -0.0137696737 0.0269372096 -0.0087180256 -0.0086559455 -0.0069010681 0.0343046596 -0.3314067729 -0.0020022576 -0.1504967395 0.1563675531 0.0113164237 0.0427642569 0.0816638043 0.0238845500 -0.0396959038 -0.3226440402 -0.1235047594 0.0085110201 -0.3212101616 -0.1752700329 0.0680335815 0.0546159693 0.0350378066 -0.0517218932 -0.3578903917 -0.2173041683 0.0790075552 -0.1607785780 -0.0893532892 0.0125954055 0.0178065515 -0.0007784807 0.0317890963 -0.4351882846 0.0108429526 -0.2224057737 0.1980141104 -0.0011486511 0.0945863750 -0.0052452266 -0.0112845904 0.0357821538 -0.0510515743 0.0828583294 -0.0967644892 -0.0302398252 -0.0234414959 0.0171524193 -0.0221780437 0.0818175321 -0.0982084026 0.0011358359 -0.0036252556 0.0083854184 0.0121145324 -0.0211148431 0.0042031588 -0.0320423276 0.0416302958 0.0138848408 0.0045869167 -0.0046120013 0.0032178766 0.0022341205 0.0029487278 0.0016159363 0.0026279788 0.0014377248 -0.0121584518 -0.0005856672 -0.0038515105 -0.0101607844 -0.0063480229 0.0021419942 0.0051796732 -0.0073020260 0.0030521017 0.0028438917 -0.0280543467 -0.0077411118 0.0049237078 0.0551532963 0.0124007833 -0.0306326145 0.0024047347 -0.0054763093 0.0006078645 -0.0346765909 -0.0033819022 0.0108974764 0.0498947857 0.0136462923 -0.0240478494 0.0007136637 -0.0060409168 -0.0020475658 -0.0025446564 0.0032171263 -0.0010273470 0.0200557126 -0.0064550290 0.0362879802 0.0005654400 0.0004742988 -0.0081752849 0.0359264521 -0.0165589739 0.0433337489 0.0177722361 0.0079207029 0.0617853821 0.0142649535 0.0319642371 0.0359308126 -0.0282018650 -0.0132031216 -0.0159217534 0.1031943235 0.0480057331 0.0202433094 0.0792324200 0.0233081025 0.0187229635 -0.0096029889 0.0104771947 0.0153331138 0.0070599208 -0.0194708165 -0.0329211153 0.1397682189 -0.0469890309 -0.0566613858 -0.0188680094 0.0351632430 -0.0160182286 0.1305837928 -0.0581963145 0.0572785014 -0.2648904506 0.0375296125 -0.1250086799 -0.6622147148 0.1059003722 -0.3036475594 -0.0521550769 0.0227808420 -0.0015607923 0.3769592441 0.1241955075 -0.0012465615 -0.2113727517 -0.0724338779 0.0128717836 0.0036119656 0.0231347194 0.0066053756 -0.0074271466 -0.0124363779 0.0468922010 -0.0486126896 -0.0263730802 -0.0059793347 0.0151179805 -0.0066944097 0.0049091566 -0.0158179495 0.0235018192 0.0042997556 -0.1022237594 0.0200301682 -0.0664589959 0.0086683300 -0.0122514913 0.0027889400 -0.0234283171 0.0096636466 -0.0347425100 -0.0561563177 0.0338124111 -0.0073971174 -0.0267947031 0.0679845953 -0.0360143781 0.0000889158 -0.0041280937 0.0226586160 0.0011790489 -0.0213127275 -0.0403188401 -0.0694472957 0.1015181733 -0.0266279783 0.0085080124 -0.0080403811 0.0019919706 -0.0003012125 0.0007468089 -0.0028263417 -0.0013751032 0.0031141736 0.0159423702 -0.0014982780 0.0059104699 0.0086802274 -0.0062192703 -0.0083785405 0.0119118093 0.0035760287 0.0068734737 -0.0024256338 -0.0490975272 -0.0144846457 0.0157780691 0.0112140641 0.0028499478 0.0004048681 0.0022545150 -0.0009042142 0.0026130765 -0.0561849930 -0.0126918165 0.0361100682 0.0502933463 0.0124181521 -0.0363041091 -0.0055863940 -0.0186534225 -0.0038769138 -0.0028567533 0.0068602253 -0.0015189601 0.0706136651 0.0302755942 0.0519854881 -0.0040283004 -0.0087650324 0.0345156452 -0.1287252078 0.0612389229 -0.1673340838 -0.0783655030 -0.0265695595 -0.2560119261 -0.0441744158 -0.1060842678 -0.1040587553 0.1164021855 0.0473283010 0.0544895019 -0.3266506909 -0.1620861047 -0.0640490039 -0.3963546250 -0.1178450699 -0.1049351645 -0.0020436264 -0.0122086475 -0.0272900477 0.0970578948 -0.0217822452 -0.0398792557 -0.3815075741 0.0427579719 0.1683081741 -0.0016634688 0.0001528809 0.0082367733 0.0261794146 -0.0088319712 -0.0001157740 -0.0208450686 0.0215706314 -0.0117998020 -0.0865418023 -0.0051460368 -0.0278833579 -0.0236523603 0.0030173081 0.0082317378 0.0725204121 0.0171003958 0.0200896809 0.0388409978 0.0262946890 -0.0187713285 -0.0088119412 0.0120658193 -0.0092921746 0.0816893991 0.0442041662 -0.0183778080 -0.1431315631 -0.0855838595 0.0000313141 0.0739352468 -0.0103487254 0.0332329587 -0.2161232858 0.0222858766 -0.1168584633 -0.2578299469 0.0165359257 -0.1200984919 0.0081359079 -0.0382187994 0.0122116383 -0.0544581190 0.0758327418 -0.1496469421 -0.1257825194 0.1257606009 0.0188078014 -0.0921033526 0.1851553327 -0.0854667450 0.0012044230 -0.0008032332 -0.0042176247 -0.0154296098 0.0151630573 -0.0010556722 0.0511115669 -0.0579733135 -0.0140545596 -0.0015520357 -0.0023503750 -0.0125749355 0.0008742377 0.0015011141 -0.0035252272 0.0008346963 -0.0015166122 0.0121765997 -0.0055165888 0.0045577367 0.0099120697 -0.0050602185 -0.0097390551 0.0133394719 -0.0002403353 -0.0002959841 -0.0006046462 -0.0082416095 0.0018026290 0.0125529017 0.0085250255 -0.0038713998 0.0012070377 -0.0000763135 -0.0008942182 0.0017581471 -0.0040279910 0.0068610010 -0.0060106274 0.0005152193 -0.0047844823 -0.0093856850 -0.0011779159 0.0020474625 -0.0021690178 0.0017880358 -0.0012508716 0.0025736284 -0.0036628002 0.0005344591 -0.0095037721 0.0029957732 0.0062148738 -0.0222601438 0.0800973449 -0.0395071168 0.1063466453 0.0501889416 0.0171646449 0.1628697851 0.0249173457 0.0660962238 0.0634360547 -0.0748192732 -0.0291630192 -0.0335940077 0.1984804124 0.0998088295 0.0401831492 0.2611268528 0.0779066238 0.0698427601 0.0072215214 0.0053109070 0.0136329521 -0.0870439451 0.0287514234 0.0501943434 0.2139948960 -0.0086289234 -0.0952747218 0.0086864694 -0.0157193065 -0.0000476893 -0.0325164336 0.0176588291 -0.0255784209 0.1785559763 -0.0013439597 0.0879835026 0.0989157745 -0.0156786861 0.0450796930 -0.0099581365 -0.0036258244 0.0207191346 -0.0353964923 -0.0115464679 0.0280128591 0.1448646697 0.0639912224 -0.0332602258 -0.0351038571 0.0007489426 -0.0110182654 0.1902293885 0.1112879402 -0.0644783060 -0.1429255826 -0.0889918986 -0.0225192618 0.1157524900 -0.0112063919 0.0485070249 -0.3046351289 0.0302671331 -0.1730265274 -0.3981882485 0.0183220105 -0.1752563474 0.0071686434 -0.0560829424 0.0150842547 -0.0618613524 0.1132814339 -0.2171454193 -0.1670881626 0.1912436670 0.0378309188 -0.1347462010 0.2581837001 -0.1163146802 -0.0011493440 0.0025938202 -0.0040441557 0.0025250686 0.0032100698 0.0067050846 0.0138629793 -0.0084722600 0.0080983508 -0.0009506361 0.0024493507 0.0076659259 -0.0026667442 -0.0016987893 -0.0003790648 -0.0027424948 -0.0017815069 0.0098226114 0.0023950278 0.0040305587 0.0062516565 0.0061473619 -0.0027679432 -0.0015448649 0.0092381034 0.0006783110 -0.0049253222 -0.0021084968 -0.0013612243 0.0048861735 -0.0389775755 -0.0073475447 0.0222313637 -0.0080075195 0.0008994996 0.0029584469 0.0296038724 0.0035718013 -0.0126938610 -0.0043845203 0.0044179552 0.0025602202 -0.0005845059 0.0059309390 0.0049949075 0.0045072192 -0.0056085024 0.0005096041 -0.0316045525 0.0230417576 -0.0758916416 -0.0005426865 -0.0004448520 -0.0027496308 0.0089608302 0.0030279163 0.0028875925 0.0035316115 0.0072828608 0.0211857901 0.0044968929 0.0003280798 -0.0023611948 -0.0044295239 -0.0015430315 0.0009317254 0.0059065691 0.0082153310 -0.0022407787 0.0185847274 0.0013156207 0.0023091667 0.0035547836 -0.0020324674 -0.0009343830 -0.0038327869 0.0072966242 0.0134635030 -0.0118760735 0.0174926924 0.0043796432 0.0039938252 -0.0024604999 0.0100431632 -0.0055298836 -0.0002227403 -0.0049209614 0.0540737302 0.0004134710 0.0305015972 -0.0120261845 0.0019788124 -0.0089781667 -0.0001174378 0.0010636222 0.0047887883 0.0061368864 -0.0005639400 0.0086037453 0.0098453130 0.0061754319 0.0023527827 -0.0090803272 -0.0030706523 0.0005841103 0.0355839600 0.0231347107 -0.0133232619 0.0054449409 0.0016180357 -0.0096793510 0.0112907638 -0.0004738359 0.0035014517 -0.0173540106 0.0050245550 -0.0102389991 -0.0412837128 0.0019626829 -0.0184284754 0.0001366237 -0.0049100937 0.0005675805 -0.0020858745 0.0093098110 -0.0176927570 -0.0122976082 0.0180773615 0.0045048128 -0.0115198291 0.0203865546 -0.0087892600 -0.0005525504 0.0003391142 -0.0073908590 0.0023293023 0.0022076828 0.0010612388 -0.0076849761 -0.0024921093 -0.0014996168 -0.0014612608 0.0009128762 -0.0013040726 0.0056732192 -0.0022040904 0.0583911478 0.0109824430 0.0279808907 -0.3014716253 0.0853367330 -0.0992759476 -0.2328546389 0.0485331128 0.1705878143 -0.1858490546 -0.0853339680 -0.0216000895 0.0580892179 0.2049348027 0.0327366496 -0.1759471611 0.2611508958 0.0898735320 -0.2112413240 0.0783230040 0.0115204025 -0.0638172523 -0.1662182339 -0.1220771219 0.1653793897 -0.1584254523 -0.0383006804 0.2105412340 0.0136514319 -0.0250051291 -0.0220090323 -0.0376869362 0.0383184549 -0.0131613685 0.1454483085 -0.2339937998 0.5630912667 0.0030154908 0.0009591651 0.0010279494 -0.0061433260 -0.0040232308 -0.0031282162 -0.0007736600 0.0059973499 -0.0045547469 -0.0143446320 -0.0030760002 -0.0021679760 -0.0045970601 -0.0000266277 -0.0009252738 0.0034212324 -0.0021023422 0.0098310921 0.0088312667 0.0069748103 0.0077941094 0.0090890925 0.0032631655 -0.0026624110 -0.0595967306 0.0140502338 0.0202185017 -0.0357476142 -0.0021667830 0.0227169357 -0.0005128197 -0.0002576527 -0.0032965992 0.0178547162 -0.0020845593 0.0039217744 -0.0412305196 -0.0107081300 -0.0350641269 -0.0252050652 -0.0215137987 0.0154573650 -0.0125031870 -0.0041263069 -0.0020789165 0.0373845988 0.0084979309 -0.0027830256 0.0090762372 0.0102460308 0.0008784157 0.0166111796 0.0080119376 -0.0035360495 -0.0510525918 -0.0301716889 0.0150507087 -0.0340505914 -0.0200970999 0.0140653488 -0.0095451926 -0.0012733936 -0.0012928364 -0.0032701085 -0.0013317383 0.0022910026 0.0366471670 0.0022969156 0.0115037771 0.0040518681 0.0002673187 0.0025189446 -0.0175467279 -0.0010831032 -0.0036245692 -0.0109187361 -0.0052297398 -0.0066222578 0.0001300853 0.0079914566 -0.0003954814 0.0005430516 0.0001554681 -0.0008787814 -0.0160931969 0.0121107179 -0.0013411615 0.0468216797 -0.0370286600 -0.0073866853 0.0031689510 -0.0075783158 0.0006849999 -0.0295468407 -0.0158639588 0.0705416939 -0.0247872522 0.0369971421 -0.3040293197 0.1862265675 -0.0533572536 -0.2483991998 0.1485813630 0.1723417269 -0.2295816102 -0.0099759085 -0.0066858869 0.0198805801 0.0885996172 0.0092534068 -0.0671232663 0.0337683387 0.0281952309 -0.0429992096 0.0370572411 0.0275479831 -0.0393471787 -0.2016501447 -0.0411157498 0.1127815043 -0.1940325346 -0.0667012032 0.0752783265 -0.0464844795 0.0134383300 0.0554429758 0.0455200075 -0.0395708966 0.0071580036 -0.1654104647 0.3226134356 -0.6375662443 -0.0065808743 -0.0035674397 0.0020646380 0.0030728895 0.0103799410 -0.0105760274 -0.0069171407 -0.0144483409 -0.0163393940 0.0259680074 0.0005948061 0.0028650452 0.0236661975 0.0025617497 0.0038367298 -0.0131145972 -0.0139161417 -0.0081900866 -0.1011370859 -0.0278896230 -0.0230566913 -0.0300141367 0.0076545823 0.0098647788 0.1377355319 -0.0545204948 -0.0986666210 0.0769781240 -0.0588587513 -0.0369154785 -0.0083548147 0.0220808027 -0.0188927252 -0.0122458663 -0.0232173361 0.0213469435 -0.1176840468 0.0332053003 -0.0101975331 0.0090974501 0.0705306579 -0.0768858958 0.1112206883 0.0544188770 -0.0099808785 -0.2906540162 -0.0230640891 -0.0326183844 -0.3417377616 -0.2471632800 -0.0393159441 -0.1329472780 -0.0515000514 0.0253886348 0.3738355248 0.1678678664 -0.0371524409 0.2570469487 0.1863393627 -0.0783005044 0.0788456488 0.0095904195 0.0141493534 0.0080561709 -0.0076489236 -0.0346533734 -0.2926937242 -0.0282735144 -0.0793005576 -0.0582156697 0.0225287209 -0.0321538290 0.2566534020 -0.0307555811 0.1477626066 0.1939740486 -0.0440550109 0.0537166427 0.0611803125 -0.2004350183 0.0079064500 -0.0006701456 -0.0033452811 0.0183741244 0.0180621794 -0.0246163125 -0.0107182187 -0.0698956059 0.0930684123 0.0079793925 0.0025673678 0.0036551776 0.0003375211 -0.0136181223 -0.0058843897 0.0235814694 -0.0126609328 0.0109520093 -0.0939815772 0.0686808829 -0.0059500801 -0.0686543528 0.0598994219 0.0460707430 -0.0654014737 0.0124800255 0.0045809125 -0.0085039772 -0.0385105112 -0.0156027908 0.0081098094 -0.0374968844 0.0001719586 0.0129680726 -0.0030175016 -0.0000377366 0.0040969725 -0.0124121245 0.0070382479 0.0012513234 0.0118331309 0.0003254966 -0.0197725414 -0.0045814666 -0.0019944544 0.0058560426 0.0043745231 -0.0033232435 0.0002180279 -0.0073800025 0.0438545133 -0.0694501602 -0.0000585895 -0.0007874433 -0.0013193481 0.0130912591 0.0077175257 -0.0030756384 0.0008179367 0.0133863893 0.0194434333 0.0013725153 -0.0024861268 -0.0042749697 -0.0053990238 -0.0011860634 -0.0005713229 0.0079685667 0.0043252082 0.0047942217 0.0173232520 0.0052720835 0.0052120295 0.0053600233 0.0008940177 -0.0008483721 -0.0298570609 0.0082228984 0.0131678789 -0.0152667354 0.0037914684 0.0100211701 -0.0001560752 0.0013818637 0.0022657721 0.0052836246 -0.0049753398 0.0039629712 -0.0257002870 -0.0044984102 -0.0138279746 -0.0094288364 -0.0043841090 -0.0001746768 0.0147115677 0.0082773097 -0.0018779991 -0.0364731163 -0.0029010519 -0.0033600803 -0.0564745423 -0.0383337104 -0.0044086249 -0.0185799631 -0.0060946184 0.0023971781 0.0532187640 0.0208536780 -0.0019033919 0.0287542362 0.0239953414 -0.0085240838 0.0138130252 0.0007631692 0.0036222945 -0.0082218598 -0.0029713182 -0.0107631599 -0.0485383508 -0.0049920029 -0.0129757793 -0.0112138655 0.0051605583 -0.0059844218 0.0471931273 -0.0069237431 0.0302765170 0.0384181713 -0.0119574391 0.0091555864 0.0125679465 -0.0398661334 0.0027272726 -0.0000276280 -0.0001371137 -0.0029074871 -0.0061434939 0.0063739195 -0.0018232679 0.0177361860 -0.0148094366 -0.0053069079 0.0015814958 -0.0038679355 0.0000212709 0.0669410940 0.0272469136 -0.1075204048 0.0618723494 -0.0303498031 0.3931051129 -0.2992153243 0.0200311686 0.2848837093 -0.2810599676 -0.1923265955 0.2800099028 -0.0894367865 -0.0288274258 0.0793253300 0.2680770496 0.0779829975 -0.1150596392 0.2951811241 0.0507510685 -0.1477516515 0.0589771552 0.0254725157 -0.0632250980 -0.2108967821 -0.0803247220 0.1365111551 -0.1970916608 -0.0567573750 0.1280421677 -0.0245475158 -0.0014143267 0.0329269010 0.0174397795 -0.0125276461 -0.0005127696 -0.0605351523 0.1355254614 -0.2334280938 -0.0103721401 -0.0035567237 -0.0040462418 0.0271605185 0.0109751530 0.0072891986 0.0021940909 -0.0157422445 0.0226829921 0.0473522784 0.0135259009 0.0115672432 0.0190653867 0.0009970317 0.0022189602 -0.0068735670 -0.0127267844 -0.0033138286 -0.0788587931 -0.0178648278 -0.0114774882 -0.0278710763 0.0044659261 0.0085241974 0.1310984012 -0.0392711806 -0.0723989574 0.0800008116 -0.0349964978 -0.0433688658 -0.0024749426 0.0092602383 -0.0091323399 -0.0136548047 -0.0064296557 0.0092531546 -0.0400900165 0.0228463662 0.0088217984 0.0386872579 0.0445548795 -0.0347387758 0.0508609706 0.0178087504 -0.0053113806 -0.1505444484 0.0000899009 -0.0408369697 -0.0934997164 -0.0931587112 -0.0411134327 -0.0436914528 -0.0445363067 0.0370403696 0.0705676609 0.0898249050 -0.0694594673 0.2859517075 0.1360543706 -0.0759484599 -0.0709778933 0.0225056969 -0.0471344858 0.2814401572 0.0672246121 0.1725848426 0.1887387993 0.0361621329 0.0425421533 0.0946770562 -0.0686726252 0.0542423899 -0.3067100977 0.0989787661 -0.3068053865 -0.4055741321 0.1811117442 -0.0658775778 -0.1117845584 0.3899948168 -0.1412910088 -0.0006298907 -0.0015302504 0.0092678712 0.0120215754 -0.0158520195 -0.0051142118 -0.0497382203 0.0566593117 0.0065305287 0.0008626956 0.0057728744 0.0000937960 0.0017171050 0.0006581889 -0.0025229664 0.0015917528 0.0008679891 0.0053581310 -0.0048352976 0.0013414408 0.0058230610 -0.0055052744 -0.0041785200 0.0060732995 -0.0039582967 -0.0009635828 0.0047516739 0.0089533568 -0.0004007192 -0.0094648279 0.0137711689 0.0069942065 -0.0113251614 0.0044918179 0.0019879434 -0.0041370142 -0.0247183576 -0.0040073854 0.0124440206 -0.0122783451 -0.0053073915 0.0030883525 -0.0033828248 -0.0012774958 0.0049145547 0.0023759859 -0.0017369645 -0.0003973542 -0.0047053078 0.0261471796 -0.0381581850 0.0716035027 0.0173236621 0.0519931908 -0.2466597126 -0.0428410431 -0.1367928288 -0.0516517873 0.0940483829 -0.2846757988 -0.3326749613 -0.1419602524 -0.1125867547 -0.0808539823 -0.0059746207 -0.0106922339 0.0606717602 0.0824508944 -0.0030370563 0.3046768588 0.0450428583 0.0070621024 0.1072571470 -0.0057266339 -0.0257331708 -0.5119645316 0.0984066815 0.1925539566 -0.2919564798 0.0516225688 0.1821580408 -0.0039027727 0.0000652129 0.0031743559 0.0219264355 -0.0183898488 0.0112236649 -0.1378857426 0.0251146969 -0.0595239695 -0.0079810498 -0.0087525545 -0.0064159259 0.0334756302 0.0191713236 -0.0088784130 -0.0846537803 -0.0035584793 -0.0174506252 -0.1224242786 -0.0858036561 -0.0212143304 -0.0335688471 -0.0187373013 0.0138098484 0.0826178908 0.0426488094 -0.0112682676 0.1034103329 0.0653034540 -0.0202982145 -0.0038755616 0.0065176766 -0.0091972055 0.0735218001 0.0134868608 0.0381784512 -0.0046552252 0.0023632871 -0.0026662265 0.0105860840 -0.0096103092 0.0063520517 -0.0178641819 0.0141277510 -0.0353228893 -0.0557770204 0.0263637758 -0.0083981240 -0.0083319362 0.0438401584 -0.0334857910 0.0006378786 0.0007766319 -0.0077074175 -0.0233224002 0.0263024598 0.0060565798 0.0546313085 -0.0825437397 -0.0144800549 -0.0010247269 -0.0243242572 0.0010197713 -0.0007753045 -0.0006750783 0.0017089038 -0.0013676036 -0.0008777415 0.0076460144 -0.0024721416 -0.0061984987 -0.0066736395 -0.0052615178 0.0056369331 -0.0058512088 0.0041493205 0.0015375425 -0.0089341682 -0.0043401684 0.0133309610 0.0268414596 -0.0102438609 -0.0239692962 0.0288441593 -0.0061402231 -0.0029380132 0.0083342187 0.0319164384 0.0185569934 -0.0287153537 0.0184976516 0.0012070627 -0.0187744937 0.0053590071 0.0018485077 -0.0075435382 -0.0027862462 0.0023923661 0.0013967091 0.0050606607 -0.0388742156 0.0511804792 0.0716094177 0.0085645919 0.0849709562 -0.3180666672 0.0068021999 -0.2480428928 -0.0918386066 0.0698211478 -0.4341623156 -0.3243122534 -0.2069263332 -0.1553796140 -0.0219856771 -0.0204491793 -0.0171726707 0.1798856558 0.1360116126 -0.0560194034 0.0216899918 -0.0652518607 -0.0964668280 -0.0624803705 0.0271973942 0.0416411672 0.2608115204 -0.1283998616 -0.2246791585 0.3220239164 -0.1422472121 -0.1352743832 -0.0030489211 0.0154398117 -0.0207201761 -0.0307395997 0.0152484786 -0.0082258353 0.1414743755 0.0020179362 0.0850223469 0.0216505325 0.0483323465 -0.0317540901 -0.0185307703 -0.0136685610 0.0084212951 0.0455177651 0.0032759959 0.0089017142 0.0872901532 0.0561721940 0.0146137246 0.0178296470 0.0089200381 -0.0063120949 -0.0488971160 -0.0154722824 -0.0046080906 -0.0409839500 -0.0339995227 -0.0019932841 -0.0005624559 -0.0026134946 0.0035465802 -0.0327440887 -0.0044387654 -0.0160087547 0.0105190103 0.0009007869 0.0029326800 -0.0016249393 0.0017548592 -0.0014589791 -0.0077038488 -0.0035063168 0.0037825317 0.0158584941 -0.0044959512 0.0039007363 -0.0036083115 -0.0040784304 0.0174109979 -0.0007705211 -0.0029809994 0.0221891486 0.0371572600 -0.0454556635 -0.0114271759 -0.0993179180 0.1433572145 0.0225544399 0.0011358397 0.0155339360 0.0000206949 0.0018997261 -0.0002026910 -0.0012022391 0.0004855844 0.0074605424 0.0046727600 -0.0015928729 -0.0018990985 -0.0013451275 -0.0117241931 0.0010519630 0.0011192975 -0.0052405996 -0.0010255392 0.0043812518 0.0181556543 0.0070315041 -0.0068289024 0.0224246864 0.0006836149 -0.0073879546 0.0033277666 0.0032039153 -0.0099531336 -0.0126916685 -0.0358663149 0.0395985977 -0.0061853692 0.0159004893 0.0389175920 -0.0036738383 -0.0024789576 0.0052654485 0.0024190004 -0.0007227942 0.0000902742 -0.0010460313 0.0262709263 -0.0317629485 0.0040999958 0.0003739586 0.0064311941 -0.0214917234 0.0044484546 -0.0204103741 -0.0054171618 0.0015191534 -0.0273451709 -0.0149062342 -0.0158729957 -0.0125951153 -0.0006557539 -0.0029538923 -0.0014881162 0.0227914292 0.0203712885 -0.0132395912 0.0011042470 -0.0121090363 -0.0156097097 -0.0156997026 -0.0012459094 0.0057390646 0.0743194065 0.0061500908 0.0073691012 0.0624984133 0.0298818784 -0.0427388794 0.0037757613 -0.0065799214 0.0113070135 0.0213046483 0.0788905713 -0.0066592994 -0.0372631599 -0.5745274758 -0.3731862454 -0.3021698211 -0.4189201860 0.4523648972 0.0095123498 0.0099418418 0.0041925821 -0.0692361092 0.0506949703 -0.0562700126 0.0093065069 -0.0420855593 -0.0978806369 -0.0097320124 -0.0078308305 0.0029388286 0.0628089376 0.0058830420 0.0175617168 0.0034994642 0.0281822089 0.0407007013 0.0017451146 0.0010772452 -0.0032476769 0.0220252362 -0.0032547420 0.0062052626 -0.0183994290 -0.0073858980 -0.0000987580 0.0007559031 -0.0026551225 0.0010973633 0.0086745280 0.0118100829 -0.0149846653 -0.0128950793 0.0177963413 0.0037174844 0.0019490335 0.0002961399 -0.0084453591 0.0004468225 -0.0000461296 -0.0090509091 0.0004726069 0.0059943742 0.0065081475 0.0123112881 -0.0322793849 -0.0012875198 0.0003870153 0.0021907547 -0.0010495961 -0.0004121680 -0.0001514307 0.0001725768 -0.0006863735 0.0020578787 -0.0011109593 0.0028246020 0.0023164496 0.0012220501 0.0010142341 -0.0015116265 0.0015972124 0.0006815495 0.0018842296 -0.0009180991 -0.0113133173 -0.0033988401 0.0022783355 0.0036674893 0.0005720453 -0.0004389535 -0.0019909789 -0.0027247008 -0.0008908295 0.0055139767 -0.0132399229 0.0079041114 0.0230280395 0.0165041383 0.0116107199 0.0008897981 0.0016323731 -0.0030728538 -0.0008127039 0.0004133956 0.0005707176 0.0005148354 -0.0152809046 0.0210962630 0.0059792076 0.0046082709 0.0171867982 -0.0976236290 0.0014454852 -0.0655554354 0.0094649048 -0.0657252251 -0.0556522385 0.0276800960 -0.0330083022 -0.0333522609 -0.0066442475 -0.0034165328 0.0148992895 0.0379857294 0.1424741362 -0.1496341764 0.0749481975 -0.1196008782 -0.1641128480 -0.0554853179 -0.0550158442 -0.0063876846 0.3408760901 0.2810115442 0.4608237690 0.1630981374 0.5536349522 -0.2474624976 0.0128570275 -0.0297258746 0.0231527315 0.0223524818 -0.0260759558 0.0062765598 -0.0926448717 0.0987110024 0.0033798930 0.0409180749 0.0286260323 -0.0480442487 0.0046749207 0.0051849843 -0.0068917305 -0.0004783674 -0.0146664094 0.0107999291 -0.0467262586 -0.0162750887 0.0147534243 -0.0053078220 -0.0019226136 -0.0019021988 0.0214128737 -0.0152208239 0.0226787506 0.0075180994 0.0256456975 0.0235367627 -0.0003143652 -0.0001443630 -0.0001703324 0.0055476245 0.0104004995 0.0086703592 0.0031126196 0.0081432996 -0.0082529324 -0.0003511308 0.0002785718 0.0018195852 0.0164575890 0.0012298593 0.0060481471 -0.0164198089 -0.0062419537 -0.0087819916 0.0094941708 -0.0042892892 -0.0253237778 0.0002679813 0.0055796538 -0.0243066678 -0.0398773379 0.0497225805 0.0117754674 0.0975740168 -0.1318618995 -0.0189255188 0.0076486410 -0.0097665806 -0.0032220888 -0.0005631500 -0.0009572697 0.0002113197 -0.0017570192 0.0080806251 -0.0005010460 0.0076440530 0.0044211665 0.0015037837 -0.0013638334 -0.0027694233 0.0029923695 0.0035017577 0.0000369909 0.0000539928 -0.0111003609 -0.0156567730 -0.0155833137 -0.0211185416 0.0136249104 -0.0094004235 -0.0060816298 0.0003417243 -0.0042629446 0.0466018132 -0.0405476228 0.0258503740 0.0221284114 0.0363338632 0.0476587337 -0.0013197295 0.0021236724 -0.0022380454 0.0022462008 -0.0014162068 0.0020938302 -0.0117724498 -0.0045745330 -0.0117297505 -0.0095924824 -0.0053414047 -0.0160872390 0.0605253044 -0.0359937745 0.0866056851 -0.0124783514 0.0228779012 0.0198022367 -0.0157832095 0.0534026055 0.0637809137 0.0017571726 0.0044081701 0.0387838271 -0.0398549952 0.1547526376 -0.1968757349 0.0910556624 -0.1532201170 -0.1975569153 0.0192918859 0.0029827233 -0.0048330700 -0.0699472764 -0.0311234312 -0.0468878629 -0.1020151040 -0.0546719956 0.0741191705 -0.0062157914 0.0158031144 -0.0117136726 -0.0071372970 0.0047422066 0.0008538066 0.0107966583 -0.0040078016 0.0075019329 -0.0045189265 0.0160496059 -0.0099860254 -0.0015571417 -0.0028105141 0.0065308289 -0.0164869999 0.0360065658 -0.0365574353 0.0182712576 -0.0189654367 -0.0448436955 0.0027539158 0.0014270610 -0.0041924415 0.0091401604 -0.0226947292 0.0247488382 -0.0080132330 0.0171255658 0.0303437329 -0.0015466172 -0.0022084033 0.0001589253 -0.0044101405 0.0157104660 0.0076960883 0.0101565001 0.0121421113 -0.0119510355 -0.0000911817 -0.0001063824 0.0007575997 0.0048883327 0.0015909356 0.0001291493 -0.0056465799 -0.0006962856 -0.0021533268 0.0029550127 -0.0022022879 -0.0069696707 -0.0003383147 -0.0011821302 0.0115771170 0.0158790402 -0.0221788705 -0.0061198780 -0.0405476444 0.0625861439 0.0092986106 -0.0023630625 0.0003564191 -0.0006689959 -0.0024738852 -0.0011853158 -0.0034136447 -0.0002451673 -0.0014156110 0.0104095617 0.0056002940 0.0231369412 0.0370065837 0.0178644497 -0.0270499218 0.0245669674 0.0244379462 0.0028937019 0.0129372863 -0.0889745476 -0.1464007422 -0.1640582172 -0.1492167605 0.1387345169 -0.1068447003 -0.0449275157 0.0060668735 -0.0528674774 0.3346974279 -0.3938343886 0.2863317435 0.1944486132 0.3257935386 0.4256278208 -0.0049277496 -0.0057884310 0.0091200569 0.0018859490 0.0004415306 -0.0022625309 -0.0184598650 0.0338891597 -0.0622781656 -0.0008348995 -0.0001876648 -0.0011823342 0.0015671947 -0.0051291835 0.0075184750 -0.0003887467 -0.0018570391 -0.0000750269 0.0000878068 0.0052333348 0.0061668068 -0.0001676473 0.0006512538 0.0051347137 -0.0048041041 0.0223859449 -0.0282497703 0.0144069586 -0.0219093026 -0.0289970285 0.0005725634 -0.0031604184 -0.0014649080 0.0050057067 0.0130044310 0.0228433788 -0.0091102469 0.0256370212 -0.0020318901 -0.0032307716 0.0038467712 -0.0000582618 0.0002723956 0.0038540415 0.0009993265 -0.0332884399 -0.0487558032 -0.0472687483 -0.0229607004 -0.0341937449 0.0363658326 0.0111051442 0.0132820822 -0.0355243957 0.0831379901 -0.1852937596 0.1848067574 -0.0725014096 0.1126169255 0.2323638459 -0.0000574115 -0.0016487671 0.0603483016 -0.2189808556 0.2864470689 -0.3364657953 0.0615304118 -0.2876739662 -0.4189545120 0.0085200546 0.0354794472 -0.0097351982 0.0728953319 -0.2866216404 -0.1374602350 -0.1319504526 -0.2221365169 0.2328334152 0.0072685937 0.0002308044 -0.0156982071 -0.1433660313 -0.0243754041 -0.0334989732 0.1378086702 0.0364001046 0.0636947559 -0.0740616559 0.0445091074 0.2024518622 0.0004527879 -0.0002288902 0.0006810017 0.0039044783 -0.0026371012 0.0002342818 -0.0023473190 0.0028195774 0.0002765149 0.0004741275 -0.0010848752 -0.0002527958 -0.0003570469 -0.0004104968 -0.0003085466 -0.0008537216 0.0041672139 -0.0005928648 0.0047015053 0.0042829427 0.0034415065 0.0007552676 -0.0037075672 0.0038348218 0.0023018921 0.0003934708 0.0014329810 -0.0107669007 -0.0156574343 -0.0165164950 -0.0146182695 0.0147282437 -0.0116762462 -0.0031016118 0.0006003015 -0.0034622809 0.0217038796 -0.0271571995 0.0206111530 0.0166481523 0.0234888866 0.0270254044 -0.0010952011 -0.0017416661 0.0016139175 0.0003409855 0.0001996823 -0.0004116118 0.0007597305 0.0083280250 -0.0104459490 -0.0000353442 0.0002975981 -0.0000697877 -0.0036684988 -0.0024915825 0.0005570696 0.0012291199 -0.0042426631 -0.0008357027 0.0020478074 0.0013128065 0.0010866757 -0.0001904159 0.0002961671 0.0009166716 -0.0011197475 0.0038175396 -0.0047024670 0.0030882039 -0.0037488261 -0.0053634463 0.0002681285 -0.0010824702 -0.0004883104 0.0010258704 0.0043081855 0.0076501278 -0.0025650953 0.0083394183 -0.0009016299 -0.0013787165 0.0017308041 0.0002825500 -0.0026495477 0.0037182805 0.0013227954 -0.0170667618 -0.0284616398 -0.0240398557 0.0003098732 -0.0174874442 0.0241448117 0.0114841098 0.0102375935 -0.0124008369 -0.0199054307 -0.0670043906 0.0544664937 -0.0251779090 0.0231903602 0.0516343324 -0.0087872441 -0.0077528941 0.0244607850 -0.0366042255 0.1235363433 -0.1323367868 0.0076616968 -0.1172912933 -0.1449715150 0.0208826226 -0.0581193456 0.0129654106 -0.1273320903 0.4645075846 0.2005985591 0.1373679440 0.3102005858 -0.3684173242 0.0086430249 0.0202911993 -0.0226167597 -0.3107090137 -0.2335110060 0.1837598514 0.1770565665 -0.2727845098 -0.0691378787 -0.1512065906 0.1961359553 0.1694317403 0.0002369670 -0.0001681060 0.0001557183 0.0020693513 -0.0015712920 0.0002448793 -0.0010579806 0.0017652562 0.0004803842 0.0001839619 -0.0004230117 -0.0000457259 -0.0006458442 -0.0007954768 -0.0008368198 -0.0022184853 0.0116474448 -0.0071420903 0.0138905726 0.0118613058 0.0081847386 0.0030162577 -0.0098826539 0.0103337803 0.0005673280 -0.0003437708 0.0022895137 -0.0066893744 -0.0134895172 -0.0165311903 -0.0098752822 0.0142426676 -0.0135266391 0.0006117462 -0.0000480381 0.0007416315 -0.0039709850 0.0045342928 -0.0030247009 -0.0008832029 -0.0032300498 -0.0052628400 -0.0001441804 -0.0004113931 0.0005038743 0.0000636021 0.0000710914 -0.0001561692 0.0001865764 0.0019893009 -0.0025072011 0.0060601736 0.0085950993 0.0074865990 -0.1049840521 -0.0225984980 -0.0448372001 0.0323154256 -0.0886744106 -0.0226448257 0.0466547808 -0.0074834437 -0.0193332020 -0.0042119121 0.0026464888 -0.0168064940 0.0086797570 -0.0748979352 0.0985198795 -0.0288115826 0.0761634157 0.0893599077 0.0032173163 -0.0036147796 -0.0017232265 -0.0201421719 0.0162762739 0.0303368095 0.0058563404 0.0209264386 -0.0088431031 -0.0021800115 0.0032718613 0.0016218927 -0.0022911567 0.0016651964 -0.0008426781 0.0129954126 -0.0047115515 0.0049261086 -0.0018779613 0.0003169314 0.0004840283 -0.0009932065 -0.0008579263 0.0011733350 0.0012663458 0.0029268569 -0.0017929756 0.0049955873 0.0011250789 -0.0019691419 0.0004625332 0.0002901504 -0.0017233349 0.0034392191 -0.0071101278 0.0075621848 -0.0007499833 0.0071668471 0.0091913649 -0.0009723828 0.0017757689 -0.0002637138 0.0037474080 -0.0149251921 -0.0063213734 -0.0037212204 -0.0093373918 0.0115695208 -0.0006613331 -0.0009739522 0.0011708553 0.0168391192 0.0114719722 -0.0082973711 -0.0096176536 0.0127334954 0.0027974621 0.0079813600 -0.0101880375 -0.0101628659 0.0001296449 -0.0004227670 -0.0003333591 0.0043711970 -0.0039895394 -0.0013935851 -0.0092117118 0.0089410754 0.0001494914 -0.0000163717 -0.0011140076 0.0006447873 -0.0153233961 -0.0167038938 -0.0197958192 -0.0477312757 0.2491300700 -0.1730991461 0.3105708959 0.2748997880 0.1989198242 0.0876951255 -0.2330193526 0.2408193645 0.0094573756 -0.0105538021 0.0518241622 -0.1296330670 -0.2911378533 -0.3694447644 -0.2132228306 0.3126258290 -0.3021106562 0.0136806460 -0.0013298965 0.0159988615 -0.0707801974 0.0960056224 -0.0684006526 -0.0463731495 -0.0800335952 -0.0959025659 0.0022101670 -0.0009256180 -0.0003828029 -0.0010244055 0.0018244987 -0.0006460519 0.0055633081 -0.0046296791 0.0110922297 0.0084546485 0.0109795990 0.0162492696 -0.1314126178 0.0180096237 -0.1143614643 0.0462980605 -0.1081881505 -0.0074084177 0.0863420164 -0.0439531749 -0.0692134837 -0.0033484267 0.0018711878 -0.0431090310 0.0215176995 -0.2018688695 0.2512414315 -0.1149014091 0.1930712390 0.2436429553 -0.0019637839 -0.0056794965 -0.0026343373 -0.0028954222 0.0389829579 0.0645221964 0.0391409392 0.0513652596 -0.0386277720 0.0003356755 0.0019732255 0.0017214834 0.0006331484 -0.0011543799 0.0010402444 -0.0064236363 0.0039488806 -0.0001703172 -0.0015156115 0.0043836660 -0.0055087606 0.0005942029 0.0003064692 0.0011278830 -0.0050046508 0.0085041627 -0.0085902960 -0.0028689541 -0.0087380480 -0.0107205913 0.0003443430 0.0002580516 0.0014284107 -0.0059092244 0.0057210129 -0.0069000833 0.0015042114 -0.0064237538 -0.0094419382 0.0004316952 0.0003832126 -0.0001195326 -0.0002790674 -0.0024177837 -0.0019730093 -0.0020432144 -0.0022777427 0.0020621039 0.0003779080 0.0003748459 -0.0007240096 -0.0090024425 -0.0050961094 0.0028897891 0.0064284494 -0.0046373313 0.0000447840 -0.0044073176 0.0048843638 0.0074401367 -0.0003211116 0.0001387499 -0.0019256035 0.0004353380 -0.0009613394 -0.0008018298 -0.0018045836 0.0027557905 -0.0002901804 0.0007623678 -0.0025249323 0.0018800289 -0.0083579427 0.0374595699 -0.0003195677 0.0940414093 -0.5476697888 -0.0808189998 -0.3462770595 -0.0807912832 0.1568376429 0.4035513833 0.0095800670 -0.0912971376 0.0045400554 0.0177902915 0.0139236368 -0.0383101053 -0.0735137876 -0.1312906789 -0.0700650350 0.0728000891 -0.0317281016 -0.0097941374 -0.0007762621 -0.0114362185 0.0512883072 -0.0961992763 0.0812532567 0.0656408550 0.0822181548 0.0846326796 -0.0010986147 -0.0025809835 -0.0003330944 0.0014216599 -0.0001435006 0.0010678227 -0.0019922452 0.0083828504 -0.0168441186 0.0058732323 0.0130989596 0.0156269808 -0.1516206183 0.0158178292 -0.1254874204 0.0628392977 -0.1480361119 0.0099616524 0.1295997935 -0.0385397793 -0.0712786585 -0.0033516938 0.0043259012 -0.0451156563 0.0148207927 -0.2197458250 0.2707715973 -0.1269747927 0.2058172169 0.2585636118 0.0007054325 -0.0099606875 -0.0058298830 -0.0091789532 0.0585058671 0.0985359773 0.0272711275 0.0821165581 -0.0416834488 -0.0037046010 0.0103875746 -0.0020445495 -0.0015304822 -0.0036086247 0.0018625744 0.0187542764 0.0203377686 0.0281506134 -0.0091527357 0.0262329617 -0.0322959630 -0.0002239751 -0.0071878589 0.0366396476 -0.0914519274 0.1987975994 -0.1939741848 0.0231636521 -0.1479276235 -0.2385313339 0.0113741398 0.0080345625 0.0039619537 -0.0464249732 0.0119950456 -0.0226625252 -0.0125083845 -0.0391783167 -0.0377648191 0.0027540937 0.0066860964 -0.0038428289 -0.0084253454 -0.0611253548 -0.0460783834 -0.0244710823 -0.0534758303 0.0552409314 0.0056096828 0.0007573274 -0.0115142978 -0.1326313903 -0.0414870667 -0.0061492098 0.1149253454 -0.0086490275 0.0377673125 -0.0693357051 0.0544389821 0.1539713659 -0.0005316800 -0.0008213001 0.0023736108 0.0069377097 -0.0097592849 -0.0052177980 -0.0199053056 0.0299930844 0.0012905738 0.0014099637 -0.0046562426 0.0024148226 0.0124276162 -0.0212773259 0.0051423239 -0.0494899890 0.3080708574 0.1268183366 0.1382167981 -0.0308622532 -0.1661885970 -0.3217907468 0.0635688135 -0.0059652029 0.0067818297 -0.0078149872 -0.0153812376 0.0100534904 0.0472884889 0.1007862305 0.0303074253 -0.0575767370 0.0416293311 -0.0183287912 0.0035716715 -0.0203488556 0.1437643097 -0.1457116637 0.0974775406 0.0613976370 0.1161654933 0.1609115065 -0.0013198071 -0.0026634341 0.0038832066 0.0001298245 0.0009195802 -0.0007966926 -0.0035675183 0.0089927351 -0.0149574393 -0.0056514223 -0.0043508088 -0.0086899711 0.0442658798 -0.0172325121 0.0525465189 -0.0129770823 0.0250614091 0.0087448873 -0.0185824787 0.0272660344 0.0362811912 -0.0016233540 0.0008316426 0.0320474146 -0.0139840996 0.1492959926 -0.1782479082 0.0918173276 -0.1413818209 -0.1833487125 0.0044506685 -0.0022794705 -0.0018809583 0.0003962816 0.0016832167 0.0053244061 -0.0408334934 0.0141557305 0.0204040773 -0.0041257559 0.0076765665 -0.0063079255 -0.0017649926 -0.0050473535 0.0004890662 0.0469924337 0.0276781135 0.0483614247 -0.0125857803 0.0310792911 -0.0413824520 -0.0019406910 -0.0132671982 0.0622466965 -0.1488323945 0.3312134681 -0.3218715479 0.0450200500 -0.2419985228 -0.3956851532 0.0184601479 0.0133952535 0.0020743875 -0.0605109337 0.0013154175 -0.0156678152 -0.0264353528 -0.0459493883 -0.0342986120 0.0045241754 0.0118445797 -0.0072724652 -0.0147889586 -0.1078314162 -0.0817853955 -0.0406065490 -0.0952248432 0.0989538101 0.0098864646 0.0001708012 -0.0198999590 -0.2306887254 -0.0652801882 -0.0207229764 0.2021001533 -0.0035503960 0.0723508988 -0.1215566339 0.0925578693 0.2744058920 0.0000583532 -0.0014036075 0.0066209517 0.0054222357 -0.0073219248 -0.0050836617 -0.0188429649 0.0262915720 -0.0000211672 0.0003357396 -0.0010272160 -0.0008827725 -0.0072074402 0.0117820201 -0.0029692083 0.0270472957 -0.1699966800 -0.0767113955 -0.0730674876 0.0206363128 0.0947033320 0.1829998926 -0.0377682156 0.0051898408 -0.0072138031 0.0038807059 0.0075374747 0.0076240607 -0.0087027929 -0.0391516459 0.0016484671 0.0166347900 -0.0119198509 0.0155167724 -0.0020769861 0.0160529285 -0.1199936251 0.1212699298 -0.0810907432 -0.0574387872 -0.0992695735 -0.1332282020 0.0011836632 0.0008831695 -0.0018815030 -0.0004952625 -0.0001362343 0.0001341961 0.0072064928 -0.0031616807 0.0133130319 -0.0051272867 0.0082477889 0.0018648042 -0.1189415897 -0.0166243949 -0.0630114687 0.0619813793 -0.1587703381 0.0388868772 0.1492556193 0.0083655930 -0.0190404874 -0.0092096834 0.0064162931 0.0124497169 0.0057007745 0.0568584232 -0.0412504055 0.0371254937 -0.0494871257 -0.0742127608 0.0097855871 -0.0042480298 -0.0046075270 -0.0291800904 0.0175326227 0.0320723371 -0.0401358405 0.0270273880 0.0158650938 -0.0099128022 0.0181704705 -0.0073876409 -0.0090242673 0.0056256122 -0.0011203717 0.0412162216 -0.0166564723 0.0176135860 -0.0183463511 0.0083023656 -0.0063106846 0.0004237653 -0.0059074927 0.0292596906 -0.0710668862 0.1498718789 -0.1457825562 0.0571824857 -0.0907348382 -0.1856473746 0.0275278593 0.0106273937 0.0452123606 -0.2331149359 0.2025412056 -0.2565975828 -0.0045060360 -0.2717980927 -0.3196427383 -0.0135869258 -0.0239068887 0.0183225884 -0.0000700965 0.1076036655 0.0997875965 0.0404978470 0.1228762205 -0.1298598758 -0.0205718475 0.0055175836 0.0204181568 0.3580769319 0.0968462839 0.0398802817 -0.2483224405 0.0234722033 -0.0837781707 0.1866874592 -0.1838815388 -0.3514026570 0.0004042060 -0.0023365567 0.0091072046 0.0169755187 -0.0210411136 -0.0073521695 -0.0390078491 0.0544490026 0.0044318797 0.0007742534 -0.0031911252 0.0002474109 0.0012985720 0.0009064870 0.0008246953 0.0031204098 -0.0137168368 0.0076805845 -0.0175537159 -0.0147264256 -0.0097392754 -0.0040814396 0.0127008966 -0.0133472470 -0.0013812492 0.0007134531 -0.0007084917 0.0067095198 0.0112457956 0.0119947441 0.0111738699 -0.0108263479 0.0105615162 0.0037795722 -0.0000963155 0.0036926147 -0.0331453683 0.0305069087 -0.0196692606 -0.0144266220 -0.0249673439 -0.0355272827 -0.0003076449 -0.0013255528 0.0011203650 -0.0000102415 0.0003868744 -0.0002819047 0.0057314054 0.0071533976 -0.0013765308 0.0140826284 -0.0252045251 -0.0088901216 0.3749765033 0.0385400771 0.2168737755 -0.1914445168 0.4876556807 -0.1189565473 -0.4625309543 -0.0131169878 0.0734420510 0.0282047506 -0.0164684680 -0.0308427088 -0.0447782843 -0.1599304079 0.0923378281 -0.0916774292 0.1288683029 0.1951819740 -0.0219887767 -0.0034229476 0.0042025692 0.0881996568 0.0087256497 0.0149768517 0.0763770519 0.0323628762 -0.0569491780 0.0158202783 -0.0289565568 0.0128724706 0.0133043547 -0.0131593293 0.0027240669 -0.0415772403 0.0413518997 -0.0005057957 0.0124686335 0.0039583657 -0.0151445409 0.0028813199 -0.0012379378 0.0170332032 -0.0540940710 0.1027854885 -0.1027481303 0.0032348181 -0.0834768424 -0.1289322264 0.0108160867 0.0051429382 0.0185988119 -0.0940992501 0.0783565771 -0.0987085315 -0.0032345343 -0.1084568845 -0.1268124012 -0.0030933354 -0.0049300040 0.0052920743 0.0019689538 0.0139419776 0.0199861898 0.0014378686 0.0235607595 -0.0255555879 -0.0046383672 0.0036311356 0.0046287182 0.0835807054 0.0111928437 0.0263306774 -0.0628753670 -0.0135483993 -0.0314229725 0.0463652066 -0.0405940053 -0.0933314574 -0.0010348007 0.0037882893 -0.0146596779 -0.0278061918 0.0348971631 0.0092552577 0.0644443507 -0.0863609965 -0.0102490780 -0.0010667504 0.0049317577 -0.0000390881 -0.0066995554 -0.0014005022 -0.0031676986 -0.0075909823 0.0209322503 -0.0480921834 0.0548442632 0.0595524690 0.0522557730 0.0512378945 -0.0534310461 0.0491279677 -0.0015500604 -0.0021070920 -0.0005568602 0.0006097559 -0.0042925142 -0.0091124505 -0.0050495134 0.0061658080 -0.0110740345 -0.0056391781 0.0008555367 -0.0068901807 0.0581941051 -0.0529271986 0.0346711002 0.0221055012 0.0418221432 0.0615928587 0.0010199308 0.0010041052 -0.0007334873 -0.0010927531 -0.0000417503 -0.0007192720 -0.0055929005 -0.0098758958 0.0053920999 -0.0041369496 0.0011423788 0.0040476658 -0.0275884796 0.0389184891 -0.0690980037 0.0257767989 -0.0492657371 0.0468045949 0.0857935969 -0.0223202236 -0.0423009515 -0.0061679428 0.0012201573 0.0005673510 0.0105804194 0.0043046747 0.0119017697 0.0048104711 0.0018012259 -0.0002364676 0.0042894288 -0.0003345373 -0.0016272601 -0.0148297575 0.0055999294 0.0086726680 -0.0103974061 0.0043105080 0.0052288757 -0.0022131720 0.0054820762 -0.0037821038 -0.0017673257 0.0012520153 0.0001771678 0.0015024581 -0.0022572649 0.0002935892 -0.0014488180 0.0030018123 -0.0015144159 -0.0000996110 0.0003253878 -0.0025456110 0.0070909189 -0.0137708141 0.0135064003 -0.0008924655 0.0108458720 0.0171546163 -0.0011019725 -0.0006135636 -0.0009375005 0.0059280840 -0.0039490610 0.0052599263 0.0016571365 0.0069557418 0.0067289599 0.0003903445 0.0006154950 -0.0001259219 0.0004404465 -0.0011396922 -0.0011154500 -0.0011142544 -0.0011056649 0.0013433054 0.0003964596 0.0002024048 0.0003019723 -0.0028196410 -0.0032231135 0.0033065409 -0.0023094381 -0.0055338053 -0.0034631940 -0.0008470304 0.0040107880 -0.0033417276 -0.0000818800 -0.0004411331 0.0031396372 0.0039480653 -0.0063717898 -0.0016493579 -0.0103698526 0.0172190980 0.0027340435 0.0001906336 -0.0012931382 0.0004975245 -0.0393990077 -0.0043736093 -0.0123090671 -0.0343076400 0.0459404741 -0.3050158016 0.2584997188 0.3075577018 0.2895267195 0.3381525285 -0.2720649519 0.2342305503 -0.0493573737 -0.0059428249 -0.0426855634 0.1654290306 0.2715926561 0.2776049943 0.2530834347 -0.2546548976 0.1805509534 -0.0002298145 0.0049046125 -0.0192418983 0.0814074072 -0.1034555480 0.0792411419 0.0371658462 0.0757086289 0.1174461242 -0.0015311443 -0.0029554737 0.0039456460 -0.0011494708 0.0015700908 -0.0019783052 0.0008478561 0.0024385595 0.0015283623 -0.0007894604 0.0009729543 0.0009378127 -0.0196178659 0.0027961322 -0.0174414254 0.0102933520 -0.0247145148 0.0091133198 0.0271638899 -0.0024575042 -0.0078849368 -0.0019501555 -0.0000681415 0.0016180023 0.0100487729 0.0146125999 -0.0066267425 0.0058320722 -0.0093789957 -0.0129156393 -0.0007603383 0.0045924235 0.0024177756 -0.0039027844 -0.0183156086 -0.0329445088 0.0070551368 -0.0333557434 0.0064777913 0.0049094660 -0.0083735908 0.0021538386 0.0027450051 -0.0001688810 -0.0019370358 0.0050960533 0.0063651340 0.0029566647 0.0008868218 -0.0032395926 0.0016427285 -0.0025946122 -0.0044232766 0.0066374472 -0.0003659311 0.0317150523 -0.0286317303 0.0300762651 -0.0058769474 -0.0297888200 -0.0080047435 -0.0038339458 -0.0055051328 0.0052332360 -0.0216460358 0.0190051582 0.0164452772 0.0333259913 0.0164903823 0.0247061820 0.0447204006 0.0088160550 0.0071164933 -0.2157316558 -0.1386542795 -0.1560878447 -0.1276111098 0.1449954610 0.0224390038 0.0347092093 0.0211862289 -0.1217239700 -0.2897352309 0.3660451574 -0.2255482013 -0.5150717347 -0.3361318459 -0.0001590448 0.2448741570 -0.3642183417 -0.0003803914 0.0009213754 -0.0028708976 -0.0068483698 0.0081099916 0.0024891520 0.0134223857 -0.0200782863 -0.0017493898 -0.0007332843 0.0018697870 -0.0003956546 0.0004737465 -0.0000204372 0.0000673840 0.0002594621 0.0006277715 0.0033533500 -0.0020440050 -0.0027850074 -0.0028222560 -0.0042103408 0.0024389239 -0.0018761613 0.0007262122 -0.0000123881 0.0007051825 -0.0029456122 -0.0049855642 -0.0052917030 -0.0045420993 0.0046806315 -0.0037306357 -0.0001730825 -0.0004333068 0.0004905915 0.0010915748 0.0013265714 -0.0020901224 -0.0008442986 -0.0009125333 0.0003822223 0.0002548993 0.0015962773 -0.0016513630 0.0002209951 -0.0004106992 0.0007535760 -0.0021928779 -0.0058456332 0.0046879891 0.0050198067 -0.0032205808 -0.0143287057 0.1261877745 -0.0830390374 0.1949636286 -0.0683026034 0.1477876364 -0.0880151998 -0.2094182305 0.0614269795 0.1087549247 0.0158349535 0.0084660845 -0.0033537964 -0.1289391715 -0.1108662925 0.0184591518 -0.0215285378 0.0511308240 0.0644115140 0.0264709253 -0.0593004394 -0.0351498181 -0.0092067112 0.2175117012 0.4015508450 -0.1491909509 0.3966325471 -0.0404366494 -0.0760095426 0.1341994258 -0.0365578372 -0.0547810726 0.0447672628 -0.0087592750 0.1839303744 -0.1234129725 0.0439388160 -0.0593800515 0.0246658329 0.0096201093 -0.0081580633 -0.0062596624 -0.0030684811 0.0437831527 -0.0582849699 0.0646182945 0.0626212723 0.0867285269 0.0817081360 -0.0031412737 -0.0026031225 -0.0124391569 0.0426694370 -0.0424111096 0.0470645140 0.0051922689 0.0594132070 0.0643255000 0.0036003147 0.0058496827 0.0011130654 -0.0081042414 -0.0195028718 -0.0204780439 -0.0140637730 -0.0112299025 0.0152726061 0.0026903379 0.0023747514 0.0037195225 -0.0140529947 -0.0301849751 0.0370260362 -0.0325150442 -0.0572955196 -0.0390809317 -0.0018553227 0.0339578236 -0.0476654434 0.0046745771 -0.0157762984 0.0500208137 0.1199519272 -0.1489157591 -0.0450004410 -0.2666723084 0.3562333253 0.0343196385 0.0073801169 -0.0226842344 0.0055661659 0.0002221820 0.0009085819 0.0008758028 0.0026061462 -0.0162579301 0.0002267137 -0.0138664749 -0.0111157478 -0.0071370618 0.0048892184 0.0105947409 -0.0129565321 -0.0040576699 0.0007967343 -0.0013328350 0.0209613994 0.0282294092 0.0268686803 0.0272880891 -0.0244088841 0.0222817192 0.0089017226 0.0038992170 0.0035251895 -0.0756517038 0.0532528940 -0.0253052264 -0.0263952736 -0.0460877874 -0.0782907661 -0.0009031014 -0.0189476218 0.0198943776 -0.0048070839 0.0062006873 -0.0103356077 0.0396128357 0.0708059042 -0.0360610381 0.0241661096 0.0353282697 -0.0335485636 -0.3191670937 -0.5211689756 0.4333392437 0.0562554641 -0.2950979130 -0.2883793571 -0.1523518944 0.2849612656 0.3592120003 0.0241766239 0.0117619839 -0.0116327638 -0.0293984336 -0.0498912114 0.0229735901 -0.0643767372 0.0199383017 0.0077438067 -0.0127610507 0.0033370769 0.0065843070 0.0077059169 -0.0215105062 -0.0347332257 0.0372203914 -0.0370290170 -0.0121158176 0.0098544059 -0.0175315236 0.0064051565 0.0054622582 -0.0042052532 0.0006878577 -0.0180190733 0.0100428510 -0.0055253032 0.0051535246 -0.0045402019 0.0010441669 0.0006425316 0.0007242245 -0.0002178374 -0.0024707085 0.0025413367 -0.0030169898 -0.0056664316 -0.0056608184 -0.0043471374 -0.0000476524 0.0000009190 0.0006227036 -0.0012176187 0.0017301249 -0.0015969311 -0.0005512961 -0.0024247515 -0.0019765105 -0.0000909161 -0.0000398757 -0.0001145107 0.0010035670 -0.0001443572 0.0006216923 0.0000175715 -0.0003066514 0.0001533284 0.0000461703 0.0000340021 -0.0000605937 -0.0001591716 0.0002612954 -0.0004114969 0.0004088722 0.0005682286 0.0003790640 0.0000467461 -0.0003814015 0.0006842155 -0.0006397032 0.0022039192 -0.0070316732 -0.0128320736 0.0173645081 0.0052065373 0.0295259895 -0.0404047760 -0.0037168843 -0.0006532934 0.0033404381 -0.0014400106 -0.0004997108 -0.0008606824 -0.0006552339 0.0009612060 -0.0062201463 -0.0134117284 -0.0002646633 0.0099747801 0.0204092378 0.0175456905 -0.0102232351 0.0059851748 -0.0080425808 0.0005628688 -0.0048660776 0.0517009814 0.0459902326 0.0243591496 0.0341571020 -0.0372896417 0.0317356908 -0.0000918433 0.0010932510 -0.0020572172 0.0068884158 -0.0074751005 0.0064185701 0.0007967361 0.0052568556 0.0064980022 0.0009235823 -0.0012382726 0.0008035202 -0.0000839780 0.0014994816 -0.0021134375 -0.0018821782 -0.0049485915 0.0067205932 -0.0023588628 0.0068465170 0.0090437422 -0.0107655580 0.0121052610 -0.0540769092 -0.0005383869 -0.0179604508 -0.0104985643 0.0110675785 -0.0268483129 -0.0422797630 -0.0026890806 -0.0023202369 0.0004314819 -0.0031567546 0.0309483801 -0.0412147926 0.0814493245 -0.0068809660 -0.0085996146 -0.0008771025 0.0007160068 0.0220998515 0.0103780224 -0.0997461167 -0.1192391082 0.0334457810 -0.0960210717 0.0431889681 -0.0798410198 0.0392713129 0.4422423367 -0.0128194283 -0.0011612645 0.0065782060 -0.0052020939 0.0179818774 0.0373721150 -0.0186049192 0.0552217643 -0.0577281239 0.0020748353 0.0057533612 0.0010943527 -0.0561366553 0.0032645362 -0.0047950712 -0.0144013565 -0.0232444303 -0.0282552900 -0.0010619298 -0.0027562076 -0.0006607987 0.0102467230 0.0074910001 -0.0060678448 0.0076408609 0.0063801670 0.0023611415 0.0000617048 0.0009221535 -0.0005198360 0.0028215541 -0.0027280177 -0.0003006745 -0.0032815398 -0.0020879467 0.0029185293 -0.0000534371 -0.0004288114 -0.0002193007 0.0001266256 0.0002875250 -0.0005324654 0.0003724098 0.0018301062 0.0012772079 -0.0009327968 0.0006832724 0.0010151168 0.0248147714 0.0079756713 -0.2429532810 0.0711913308 -0.0355202071 -0.0737135212 0.0178296750 -0.0940215815 -0.1000202494 0.0001431342 0.0095378541 -0.0377704126 -0.0079636694 0.0011481565 -0.0007232418 -0.0024290021 -0.0162927035 0.0146333229 0.0060427403 -0.0016682273 -0.0176301993 0.0192373784 0.0086030251 -0.0143184954 0.0123534360 -0.0008591328 -0.0054315981 -0.0360751525 -0.0125481800 0.0524251885 -0.0462345330 -0.0037841125 0.0383419400 -0.0172367741 0.0402404274 -0.0127919879 0.0484850084 -0.0043008459 -0.0101444230 0.1084570972 0.0352509641 -0.2343245236 0.1894695970 -0.3093123489 0.3283501661 -0.1600610048 0.1779955998 -0.1971738270 0.1953459548 0.1907487641 -0.3815950489 0.0015313556 0.0003403474 -0.0035918367 -0.0067202956 -0.0100940225 0.0302692685 0.0019737834 0.0047441811 -0.0062350059 -0.0181576826 0.0048104362 0.0111913164 -0.0045570500 -0.0015512040 -0.0032901507 0.0240745306 0.0229623709 -0.0133644029 0.0685974358 0.0049766052 0.0031423366 -0.0049602511 0.0005073521 0.0277773292 0.0159031773 -0.0923292954 -0.1028862456 0.0415822428 -0.0726732242 0.0349261255 -0.1467820080 0.1292587123 0.5232356969 -0.0077223382 0.0048871649 0.0149793934 -0.0140224349 0.0289170950 0.0502430557 -0.0491878409 0.0920296932 -0.1038036034 -0.0010483521 0.0061081018 -0.0006635034 -0.0491118335 -0.0032921826 0.0048088729 -0.0254519960 -0.0281631716 -0.0158232298 -0.0022797063 -0.0026477166 -0.0008411090 0.0053557075 0.0084105787 -0.0119438245 0.0296831081 0.0149971323 -0.0120759827 0.0006037258 0.0016063316 0.0001733314 -0.0025933131 -0.0005269349 -0.0054399473 -0.0038604787 0.0007976321 0.0022923467 -0.0012693520 -0.0013319828 -0.0005634133 0.0025705105 0.0004028675 -0.0014033450 0.0055501699 0.0032144194 0.0047343857 -0.0020143852 0.0029841328 0.0025612507 0.0338962921 -0.0016277472 -0.2803063923 0.0969340068 -0.1248876553 -0.1118791778 -0.0765518197 -0.0174648100 -0.1336877395 0.0188788403 -0.0145106076 -0.0376668169 0.0062584598 -0.0005004534 0.0037104749 0.0020307900 0.0060544989 -0.0353013279 -0.0003297954 0.0007533818 0.0137781947 0.0018344782 -0.0021838716 0.0085724823 -0.0104903427 -0.0034311985 -0.0080262641 0.0268311040 0.0231576030 -0.0241017949 -0.0013976072 -0.0100107805 -0.0165007946 0.0168247136 -0.0190828965 0.0202501276 0.1186097917 -0.0136999483 -0.0609595522 -0.0838759675 -0.0136462630 0.1979670558 -0.2355025987 0.2615029269 -0.3018927862 0.1704254102 -0.1722784325 0.1907586057 -0.0714079713 0.0492143649 0.3003402988 -0.0003060802 0.0010373243 0.0017174713 0.0112333007 -0.0160424632 -0.0142378986 -0.0077160059 -0.0027779687 0.0019135077 -0.0006008799 0.0085693438 -0.0074722150 0.0002033287 -0.0002307858 -0.0002054265 -0.0024510350 0.0025016425 0.0017970890 0.0001012314 -0.0000598816 0.0004676267 0.0000367390 -0.0000944782 -0.0000765579 -0.0001273915 0.0008135233 -0.0004039292 0.0003209625 0.0001939837 0.0009922642 0.0006183244 -0.0001165479 -0.0001930395 -0.0001471996 0.0014719259 0.0011895694 -0.0005735239 -0.0000411446 0.0002398304 -0.0004283342 -0.0150125846 -0.0158102433 -0.0002853516 0.0002707290 0.0001245386 0.0016701301 -0.0007273627 -0.0003965200 -0.0003143470 -0.0001922198 -0.0001376820 -0.0000067589 0.0001638090 0.0002593599 0.0006365231 -0.0027382733 -0.0027305351 -0.0002305022 0.0007708098 -0.0007171357 -0.0000060332 0.0000814972 -0.0000049218 -0.0001960573 -0.0002582169 0.0004756825 0.0002472910 -0.0005035283 -0.0003892255 0.0000188807 0.0000278314 0.0000235544 0.0000251971 -0.0002028521 -0.0001431061 0.0000019983 0.0000106729 -0.0000675445 -0.0002678862 -0.0001438841 -0.0000609611 -0.0002461777 -0.0000567606 0.0002061797 -0.0008500751 0.0001435031 0.0008010100 -0.0004292099 0.0004332759 -0.0041693571 -0.0001979686 0.0002136789 -0.0000397266 0.0005685403 0.0002608286 -0.0002070834 -0.0059661509 -0.0010802938 -0.0009404568 0.0016932793 -0.0034262922 0.0015409072 0.0001701901 0.0022170488 0.0019238463 -0.0001195316 0.0003735943 0.0005726321 -0.0046924644 0.0044786961 -0.0003731957 -0.0007051724 -0.0088455134 -0.0068352246 -0.0036458867 0.0045128446 -0.0006766859 -0.0004745860 0.0012731549 -0.0049165713 0.0429705860 -0.0598781303 0.0143474366 0.0598725542 -0.0486980190 -0.0344640683 0.0007054552 -0.0009544588 0.0016755083 -0.7042486392 0.5890763113 0.3776447934 -0.0003895810 -0.0001559062 -0.0005715150 -0.0031682471 0.0054029816 0.0038779567 0.0070886019 0.0026110329 -0.0019048398 0.0006386929 -0.0063481888 0.0046661917 -0.0001327542 0.0001261494 0.0002238816 0.0013394996 -0.0021434281 -0.0016553917 0.0000053781 0.0009760653 -0.0007452446 0.0002342387 0.0004215720 -0.0001187810 0.0000604731 -0.0051147844 0.0035525658 -0.0020031413 -0.0006147356 -0.0032542255 0.0007817501 -0.0003535156 -0.0009905359 0.0023853338 0.0668698402 0.0262208428 -0.1668895921 -0.1387251840 0.2892917563 0.1390244058 -0.6610681483 -0.6077942943 0.0063523883 -0.0111832818 0.0070008059 0.0017707888 -0.0006614374 0.0041105939 -0.0847974434 0.1395945707 -0.0800618919 -0.0003069222 -0.0013901958 -0.0034115485 -0.0073934303 0.0327621707 0.0270916037 0.0139363937 -0.0181764278 0.0127568860 0.0000948925 0.0002110367 0.0000577719 -0.0003597394 -0.0002293094 0.0006253607 0.0000969659 -0.0035526162 -0.0026203727 0.0002863937 0.0002948837 -0.0006566524 -0.0000282476 -0.0000265679 -0.0002344072 -0.0040237084 -0.0035791460 0.0081194382 0.0011342933 0.0009155215 -0.0003098979 -0.0001234801 -0.0001198909 0.0003649891 -0.0000281923 0.0004630836 -0.0007918694 -0.0040820246 -0.0037126898 0.0153580212 -0.0001926478 0.0002611825 0.0000758995 0.0000080595 -0.0000757520 0.0000409197 0.0003573990 0.0000706915 -0.0000355168 -0.0004850464 0.0009309546 -0.0005035219 0.0000598487 -0.0000378837 -0.0000812893 -0.0001010826 -0.0002089714 -0.0000984304 0.0005164633 -0.0003631261 0.0001652693 0.0003238532 0.0018596177 0.0013543132 0.0017567517 -0.0014360727 0.0017498545 -0.0027399288 -0.0115788407 -0.0097346210 -0.0175933310 0.0286069907 -0.0100874093 -0.0002639645 0.0011863748 0.0010441307 -0.0002037607 0.0000422572 -0.0002931671 0.0083289132 -0.0128391528 -0.0079108948 -0.0294218662 0.0004880190 -0.0416051745 -0.2128557652 0.3321971540 0.2352055243 0.5029787864 0.1803609885 -0.1374956560 0.0524874846 -0.5266267758 0.3852184477 0.0086700481 -0.0082745389 -0.0102800739 -0.1009925984 0.1499552378 0.1149411303 0.0047275468 -0.0399076788 0.0219126300 0.0007903201 -0.0000002414 0.0004980774 -0.0014182398 -0.0019523609 0.0008978888 -0.0072087039 -0.0031330112 -0.0110525737 -0.0000749902 0.0001601115 0.0001311546 -0.0001453075 -0.0000433267 0.0004897818 0.0022005643 0.0021393052 -0.0044362687 0.0000845960 -0.0013164368 -0.0012765895 -0.0020007144 0.0021969380 -0.0037610319 -0.0048026868 0.0191760555 0.0182446853 0.0290138104 -0.0452361564 0.0261450936 0.0000492163 -0.0002431603 0.0000387567 -0.0002370581 0.0012416669 0.0010567747 -0.0011043574 0.0015233812 -0.0011979142 -0.0000663568 -0.0000727944 0.0000764526 0.0008626520 0.0007957828 -0.0013088809 0.0000126284 0.0002734448 0.0002174610 -0.0000535617 -0.0001920140 0.0002147536 -0.0003207609 0.0011792327 0.0009301850 0.0015730125 0.0014480450 -0.0033198676 -0.0008149551 -0.0005392367 -0.0000712171 -0.0000206391 -0.0000142481 -0.0000712562 -0.0001547849 -0.0002202291 -0.0001099979 0.0002745750 0.0003815156 -0.0001506357 0.0000059153 0.0000628683 0.0001591289 0.0005471919 0.0000777102 -0.0004647640 -0.0094522083 -0.0014700755 -0.0003898454 0.0023233219 -0.0041038172 0.0020606500 0.0009760173 0.0047695700 0.0035511221 -0.0000533595 -0.0000611860 -0.0000418747 -0.0006817678 0.0001418467 0.0004318934 0.0003039587 0.0003407947 0.0004683120 -0.0005258935 0.0006910094 -0.0004123395 0.0001031436 0.0010222318 0.0007287541 0.0061121965 -0.0089383048 0.0030454493 0.0019419233 -0.0014708317 0.0003743674 -0.0003014829 0.0004060212 -0.0005396913 -0.0150589829 0.0119876288 0.0059264592 0.0016291962 -0.0001953449 0.0020402889 0.0100929142 -0.0155351795 -0.0109118065 -0.0263945675 -0.0094574962 0.0073085597 -0.0026975310 0.0276495515 -0.0201716050 -0.0010481581 0.0009831407 0.0014784746 0.0125174778 -0.0185468098 -0.0142158897 -0.0006790341 0.0062520379 -0.0039768686 0.0001738155 0.0004469279 -0.0000829101 0.0002364522 -0.0048653463 0.0032797988 -0.0016313757 -0.0004930655 -0.0027420320 0.0002863283 -0.0002853588 -0.0004810919 -0.0023181830 0.0073699881 0.0088900722 0.0119310781 0.0131858393 -0.0243543689 0.0196174685 -0.0916949337 -0.0836381394 -0.0249878744 0.0278074942 -0.0441880681 -0.0558212481 0.2160357751 0.2034743320 0.3576131843 -0.5513456770 0.3192290982 0.0018075037 -0.0240128364 -0.0367350037 -0.1230897644 0.4017782016 0.3676986209 0.0889551522 -0.1160757641 0.0736287755 -0.0023902939 0.0006412334 0.0057882693 0.0255490397 0.0251824429 -0.0457839292 0.0106914297 -0.0327190557 -0.0262238901 0.0011249773 -0.0027317969 0.0028663360 -0.0092616593 0.0279951427 0.0204526874 0.0214180635 0.0200173221 -0.0458206752 -0.0286868472 -0.0161996361 -0.0059436746 -0.0000054995 0.0000086225 0.0002457408 -0.0000664121 -0.0001901407 0.0000371941 -0.0016113677 -0.0014878621 0.0031975735 -0.0001113703 0.0001509483 0.0000244063 -0.0003308690 -0.0002490938 0.0007245144 0.0094815090 0.0015477017 0.0003379774 -0.0043808778 0.0077696717 -0.0038845768 -0.0014215751 -0.0064390163 -0.0048720144 -0.0000777181 -0.0001231690 -0.0002071127 0.0006014184 -0.0010038283 0.0004243387 0.0005164184 0.0023726784 0.0018734263 0.0003081296 0.0000261339 0.0005088961 -0.0012116945 -0.0049475274 -0.0042903215 -0.0028351939 0.0044022644 -0.0015397420 0.0002072561 0.0001270261 0.0001138818 -0.0001189097 0.0000343828 -0.0000734223 0.0000378902 -0.0009302939 -0.0002227643 0.0011012076 -0.0001857038 0.0012356110 0.0060155478 -0.0091550407 -0.0063746563 -0.0172208409 -0.0061668763 0.0048042587 -0.0017026432 0.0177101700 -0.0128920567 -0.0010882194 0.0010328257 0.0016027762 0.0131643058 -0.0195291089 -0.0149639861 -0.0007370772 0.0068294382 -0.0044293412 0.0001354565 0.0003890963 -0.0001527765 0.0001622266 -0.0044478039 0.0029850486 -0.0010141409 -0.0003056393 -0.0015614055 0.0003137922 -0.0002068610 -0.0003755276 -0.0012661660 0.0083137843 0.0082825172 0.0003979136 0.0025320403 -0.0076543917 0.0179399538 -0.1018159166 -0.0919180187 -0.0138935065 0.0114258983 -0.0358414002 -0.0558822667 0.2267449421 0.2199249419 0.2279061186 -0.3564720599 0.2047671535 -0.0006702635 0.0258944485 0.0524074436 0.1659022034 -0.5230430016 -0.4809421750 -0.1608979346 0.2079819625 -0.1367345868 0.0043649240 0.0053046051 -0.0102131218 -0.0619693379 -0.0609091333 0.1183263957 0.0012610315 0.0039488189 0.0000692717 0.0012883891 -0.0036204450 0.0025358485 -0.0082297522 0.0344174947 0.0295747759 0.0243189630 0.0226946848 -0.0531173127 -0.0288135150 -0.0182357210 -0.0070028069 -0.0000456340 -0.0000147750 0.0001603437 -0.0001386010 0.0000545480 -0.0006053459 -0.0014031732 -0.0021199123 0.0093741558 -0.0001162481 0.0001399714 0.0000028337 -0.0003749581 -0.0002678385 0.0007937730 0.0104509197 0.0017206176 0.0003339082 -0.0047142984 0.0084233885 -0.0041993702 -0.0015381377 -0.0070741202 -0.0053536209 -0.0001922537 -0.0002942484 -0.0004460405 0.0011269966 -0.0020081377 0.0008611820 0.0012757548 0.0053774996 0.0042242905 0.0004639508 0.0000807087 0.0007286012 -0.0017919375 -0.0074795179 -0.0065541272 -0.0038276074 0.0061168717 -0.0020099943 -0.0000040637 0.0004131463 0.0003976805 -0.0001572267 0.0000600286 -0.0001476115 0.0034809399 -0.0041798271 -0.0020889978 -0.0007173777 -0.0021607563 -0.0133520005 -0.0707253136 0.1134265266 0.0813188287 0.0610403818 0.0216255428 -0.0136073652 0.0129465245 -0.1107615668 0.0807445072 -0.0311374304 0.0305702900 0.0509027770 0.3958942352 -0.5888189470 -0.4493286548 -0.0273545524 0.2209679145 -0.1453617420 -0.0062612488 -0.0191200842 -0.0026181760 -0.0156349983 0.2077510618 -0.1356872027 0.0904165801 0.0316945296 0.1765944397 -0.0002365893 0.0003929972 -0.0001702919 0.0000764845 -0.0003660303 -0.0003134547 0.0000129228 -0.0000061287 -0.0000034210 -0.0008472159 0.0041635539 0.0037786612 0.0003376100 -0.0002678010 0.0008481288 0.0013723479 -0.0053943416 -0.0051658289 -0.0055625959 0.0085780133 -0.0049193171 -0.0000282985 -0.0000972959 -0.0003860849 -0.0011292775 0.0033446429 0.0030758905 0.0016266547 -0.0020691539 0.0013481761 -0.0000494334 -0.0001104442 0.0001254118 0.0008528973 0.0008489788 -0.0016624092 -0.0001381891 0.0003352632 0.0003130921 -0.0002714092 0.0002403424 -0.0001329282 0.0009772523 -0.0034587843 -0.0027614084 -0.0015392379 -0.0014196958 0.0032980845 0.0036730554 0.0021179239 0.0009814480 0.0000427197 0.0001021185 0.0000615342 -0.0000384413 -0.0000902660 0.0000274475 0.0001843945 0.0003011621 -0.0007588623 0.0005699339 -0.0007829172 -0.0005982423 0.0054015908 0.0039197319 -0.0116608461 -0.1564006837 -0.0256612643 -0.0048383293 0.0706534931 -0.1249515933 0.0620914283 0.0234592556 0.1047236731 0.0784473238 -0.0010456117 -0.0015744367 -0.0014059702 0.0032020175 -0.0065847285 0.0022563195 0.0067615457 0.0244980257 0.0181359788 -0.0002433173 0.0002301924 -0.0002271031 0.0004442277 0.0001288809 0.0002820402 0.0025261077 -0.0030791502 0.0011408475 0.0006777942 -0.0005753575 0.0002334454 -0.0001225889 0.0002198351 -0.0002166567 -0.0051859379 0.0041465606 0.0018373505 -0.0006950741 -0.0004899220 -0.0039175204 -0.0204019204 0.0329149305 0.0233166359 0.0230809522 0.0082668841 -0.0054195430 0.0040375727 -0.0358141493 0.0259146524 -0.0078758943 0.0076473638 0.0130883472 0.1007051392 -0.1500756496 -0.1144180421 -0.0071709980 0.0580559053 -0.0381519517 -0.0018918664 -0.0056908603 -0.0007094279 -0.0045170731 0.0616351370 -0.0402782969 0.0266290476 0.0093202203 0.0516769673 -0.0002593056 0.0002666869 0.0002702905 0.0000252243 -0.0002022124 -0.0001402074 0.0002324655 0.0000907718 0.0000142116 -0.0003982554 0.0021324899 0.0017972907 0.0006286790 -0.0006170997 0.0013514222 0.0019263966 -0.0076915757 -0.0072901272 -0.0097286904 0.0149960611 -0.0086254172 -0.0000561018 -0.0000021125 -0.0003482556 -0.0008838233 0.0024974963 0.0022876732 0.0018529559 -0.0022954600 0.0015261335 -0.0001120024 -0.0004442886 0.0001883929 0.0023876347 0.0022838118 -0.0044383358 -0.0009642621 0.0027829374 0.0024313744 -0.0003437378 0.0003408242 -0.0001971904 0.0013324703 -0.0046360008 -0.0036873599 -0.0021509891 -0.0020040420 0.0046542407 0.0047502849 0.0027212228 0.0012593219 0.0000449309 0.0000231748 -0.0001411983 -0.0000760180 -0.0002183827 -0.0000793986 0.0002488072 0.0003261392 -0.0006400246 0.0002102895 -0.0002769798 -0.0001844841 -0.0192355964 -0.0145383821 0.0429896213 0.5698924400 0.0937928346 0.0177962893 -0.2611857090 0.4617603547 -0.2298189727 -0.0868225049 -0.3844516369 -0.2886391525 0.0046831804 0.0064951147 0.0066443025 -0.0177130186 0.0324433303 -0.0113624339 -0.0290517802 -0.1071352492 -0.0801755334 -0.0028766091 0.0008872004 -0.0038790755 0.0084730900 0.0346504150 0.0302119579 0.0261091740 -0.0448753222 0.0165382046 0.0004635341 -0.0001826599 0.0000654240 -0.0001676906 0.0000371626 -0.0000918770 -0.0031730514 0.0021023928 0.0013813723 -0.0000771762 0.0000080303 0.0000731500 0.0003301641 -0.0005169166 -0.0004021983 0.0006415812 0.0002327829 -0.0002118314 -0.0000573998 0.0002283522 -0.0002006918 0.0002318854 -0.0001840511 -0.0003826224 -0.0028729021 0.0041727470 0.0031992823 0.0002002105 -0.0019656933 0.0013374158 -0.0001333957 -0.0004968967 0.0000478540 -0.0002787697 0.0053282893 -0.0034631492 0.0017114795 0.0006140532 0.0030573334 -0.0000495787 0.0001009473 0.0000161492 -0.0002345277 -0.0002969151 0.0001885484 0.0029772288 0.0026028975 -0.0044852892 -0.0003319486 0.0014064404 0.0013651272 -0.0006649469 0.0000026402 -0.0017720302 -0.0031504593 0.0147185325 0.0131786120 0.0121446134 -0.0173537036 0.0105457607 0.0027201233 -0.0065631449 -0.0027694739 -0.0165358241 0.0523123245 0.0498551947 -0.0195386947 0.0265993364 -0.0191256242 0.0129683909 0.0461628418 -0.0124128032 -0.2511331737 -0.2277388959 0.4353516550 0.1049726515 -0.3207069296 -0.2836686641 -0.0306551393 0.0180553287 -0.0086807468 0.0913040823 -0.3282051445 -0.2596725694 -0.1223683792 -0.1113191815 0.2535146807 0.3901656548 0.2251405759 0.1059763450 0.0000084032 -0.0000165110 -0.0000110801 0.0000463306 -0.0000279917 -0.0000437368 0.0000388050 -0.0001640166 0.0004138218 0.0000267883 -0.0000519277 0.0000028235 0.0000212341 -0.0000074000 -0.0000124715 -0.0002949301 -0.0000487934 -0.0000137268 0.0000239145 -0.0000318410 0.0000080992 0.0000445331 0.0001845907 0.0001304119 0.0000053356 0.0000062996 0.0000240858 -0.0000604428 0.0001320178 -0.0000501607 -0.0000701846 -0.0002518521 -0.0001993806 0.0002101713 -0.0000898705 0.0002611646 -0.0005439612 -0.0020734360 -0.0018117731 -0.0019744329 0.0031643030 -0.0011930942 -0.0000187744 0.0000058929 -0.0000326233 0.0000117256 -0.0000128015 0.0000162230 0.0000165140 0.0000005196 0.0000091961 0.0001892842 -0.0001151672 0.0001294434 0.0004427589 -0.0005633299 -0.0003729431 -0.0024480788 -0.0008780811 0.0007602986 -0.0001768344 0.0027355698 -0.0018867850 -0.0002735644 0.0000909690 0.0004595735 0.0031434661 -0.0043224788 -0.0033658914 -0.0003110920 0.0032164335 -0.0022898564 0.0006709679 0.0022795670 -0.0001318744 0.0014443834 -0.0244864273 0.0159662860 -0.0083623518 -0.0029189231 -0.0153531623 0.0002406913 -0.0002445098 -0.0001971400 -0.0006580806 0.0007907976 0.0023669200 0.0055420729 0.0058063791 -0.0123227507 0.0030455195 -0.0158837674 -0.0145436752 -0.0020759454 0.0009628401 -0.0077794976 -0.0135696186 0.0535851988 0.0535393518 0.0404387526 -0.0611339982 0.0357179939 -0.0021739116 0.0073562383 0.0040983587 0.0183277888 -0.0652779759 -0.0617515471 0.0121305853 -0.0215382091 0.0132699691 -0.0087849257 -0.0468743052 0.0086533541 0.2217411511 0.2046430251 -0.3887708129 -0.1113823132 0.3406925120 0.2953482856 -0.0257041154 0.0278151711 -0.0081777546 0.1086371543 -0.3753126237 -0.2970013240 -0.1390859847 -0.1282002964 0.2964073448 0.3245062744 0.1812419854 0.0895878142 -0.0000492249 0.0000115040 0.0000924664 -0.0001682499 0.0000108579 0.0001026043 -0.0001035611 0.0001048939 0.0002047379 -0.0001325836 0.0001511360 0.0000407539 0.0001154828 0.0002109025 0.0003152353 -0.0005127400 -0.0000050255 -0.0002261784 -0.0002703181 0.0008724185 -0.0004337052 -0.0006733426 -0.0035966381 -0.0028018786 -0.0013878174 -0.0017982309 -0.0027099526 0.0069922404 -0.0128666866 0.0055901819 0.0089024975 0.0341128165 0.0264090004 0.0014717036 0.0003242743 0.0022937321 -0.0059527694 -0.0227981575 -0.0199243210 -0.0113398941 0.0186351540 -0.0067065738 0.0002765707 -0.0000727952 -0.0000253017 -0.0000780093 0.0000557980 -0.0000625277 -0.0014042421 0.0009670643 0.0009996743 -0.0004733364 0.0000028669 -0.0001486228 -0.0007877044 0.0024025634 0.0009742532 0.0063285253 0.0025924963 -0.0018189902 0.0002094655 -0.0042177933 0.0026694419 0.0001485751 0.0008538628 -0.0008404326 -0.0021960712 0.0022267643 0.0019205249 0.0001512257 -0.0114921349 0.0084559698 -0.0013355782 -0.0056094124 0.0007429887 -0.0036866679 0.0613916315 -0.0397174594 0.0174752819 0.0064068265 0.0325836050 0.0007548102 0.0005019711 -0.0019072220 0.0020613945 -0.0017923923 -0.0046947177 -0.0164012516 -0.0140036067 0.0260637975 -0.0074888294 0.0343968582 0.0312741252 -0.0001298773 0.0010160157 0.0012367610 0.0040129231 -0.0147210201 -0.0146912187 -0.0024738562 0.0030216969 -0.0016525114 0.0000485595 -0.0003362092 -0.0004255759 -0.0017169600 0.0050448326 0.0048659886 0.0010424995 -0.0007347707 0.0005339736 0.0003337108 0.0022137887 -0.0002571278 -0.0096597051 -0.0089119212 0.0169080433 0.0054363779 -0.0166743456 -0.0143880536 0.0013938073 -0.0015005401 0.0004593639 -0.0058709187 0.0203098891 0.0160678537 0.0076316991 0.0070129639 -0.0161872976 -0.0178325035 -0.0099567894 -0.0049044606 -0.0003026289 -0.0002010988 0.0006265013 -0.0001455355 0.0002778099 0.0005012773 -0.0004133117 0.0005628998 -0.0001691450 0.0001313357 -0.0003050884 0.0000412516 -0.0002993874 0.0009538302 0.0082312547 0.0521545973 0.0096507472 -0.0019537008 -0.0307528119 0.0601454530 -0.0306702077 -0.0168561350 -0.0825078194 -0.0636498733 -0.0150182927 -0.0171079626 -0.0274029551 0.0764668874 -0.1398063239 0.0621102566 0.0882860061 0.3389991952 0.2619752841 0.0357955351 -0.0044442165 0.0494847382 -0.1174322611 -0.4472176196 -0.3886850082 -0.3038493772 0.4979154615 -0.1835694751 0.0033433357 -0.0025407721 -0.0030416026 -0.0000907403 0.0002437297 0.0000722819 -0.0328841466 0.0299023067 0.0226958722 0.0000339747 -0.0002325954 0.0004116172 0.0012850639 -0.0009672458 -0.0017185426 -0.0008921154 -0.0000036647 0.0001711529 -0.0006201373 0.0048035091 -0.0037560383 0.0003119690 -0.0006003845 -0.0002499792 -0.0036139645 0.0052492876 0.0040984374 0.0002284606 0.0015950917 -0.0010743981 -0.0001760814 -0.0003983875 -0.0000910131 -0.0002377543 0.0037535779 -0.0025173227 0.0021309343 0.0006535996 0.0038055200 -0.0004023688 0.0000258955 0.0006669275 -0.0019426935 0.0005364475 0.0040097506 0.0182142166 0.0155562530 -0.0291690320 0.0046812931 -0.0217186884 -0.0197023967 0.0005531790 -0.0010406449 0.0005012760 -0.0005332750 0.0015948697 0.0017568645 -0.0064867043 0.0102681945 -0.0060665761 0.0000707935 -0.0003164648 -0.0003557637 -0.0010678542 0.0038601548 0.0035016898 0.0002249450 -0.0001219715 0.0001070697 0.0001829404 0.0012550958 -0.0000831642 -0.0055014951 -0.0049783793 0.0094199895 0.0031656305 -0.0097872879 -0.0084974848 0.0005328901 -0.0006441595 0.0001120966 -0.0024513757 0.0084385763 0.0066704265 0.0028392470 0.0025934997 -0.0060018712 -0.0064403756 -0.0035554812 -0.0018155171 0.0000946477 0.0000430489 -0.0002044344 0.0000794490 -0.0001769706 -0.0000824273 -0.0000690065 -0.0002055241 -0.0008221820 0.0000676388 -0.0000202767 -0.0000376265 0.0034976127 0.0034010447 0.0088394833 -0.0010643692 0.0010207208 -0.0018577079 -0.0244584226 0.0462668943 -0.0213360255 -0.0199963531 -0.0928233839 -0.0696595493 -0.0229389208 -0.0344203154 -0.0492635633 0.1142891653 -0.2109955055 0.0904709690 0.1660051215 0.6259743079 0.4856172003 -0.0218379483 0.0148982288 -0.0249191393 0.0458055952 0.1806627360 0.1530039782 0.2182086406 -0.3586500439 0.1352589984 -0.0023892099 0.0018286526 0.0004815552 0.0005879032 -0.0003726333 0.0004209877 0.0134027230 -0.0137968397 -0.0080515866 -0.0000473577 0.0010446289 0.0047720138 0.0245937011 -0.0380985721 -0.0271150202 -0.0157434903 -0.0049008666 0.0013469060 -0.0067985973 0.0348591412 -0.0281248465 0.0105980500 -0.0025173331 -0.0211689175 -0.1346815722 0.1886019053 0.1454250551 0.0169640915 -0.1554206578 0.1086380160 -0.0167052532 -0.0637508278 0.0046660926 -0.0414795590 0.6781038069 -0.4403898900 0.2176993675 0.0761464064 0.4021414095 -0.0016502941 0.0023224107 -0.0010994216 -0.0004077135 0.0009242150 0.0011067849 0.0020862632 0.0019144328 -0.0032802321 0.0028229911 -0.0123465261 -0.0108880592 -0.0003620359 0.0000359394 -0.0013809265 -0.0027499115 0.0104284267 0.0101919206 0.0075396309 -0.0109857932 0.0063822449 -0.0001255641 0.0004107749 0.0003662969 0.0014905575 -0.0045683169 -0.0043662516 -0.0000594718 -0.0005952743 0.0003557417 -0.0003830180 -0.0021780374 0.0002702804 0.0100768276 0.0091191137 -0.0172796598 -0.0052835336 0.0162967758 0.0142326448 -0.0005590845 0.0010129803 -0.0001322688 0.0034125208 -0.0117203919 -0.0092746041 -0.0041049243 -0.0037363586 0.0086366442 0.0070623882 0.0038191013 0.0019847654 -0.0000388663 0.0001754868 0.0005206160 0.0001488343 -0.0006467148 0.0000260563 0.0001076792 0.0007471616 -0.0015546854 0.0018911379 -0.0017094552 -0.0009446474 -0.0000415663 -0.0000844157 -0.0013076346 -0.0081552743 -0.0015018462 0.0000908534 0.0055961475 -0.0104603126 0.0052579930 0.0028665927 0.0129994906 0.0099297401 0.0013063331 0.0014488803 0.0023913990 -0.0065181621 0.0123045220 -0.0055538286 -0.0077426867 -0.0293460759 -0.0225983866 -0.0025645804 -0.0000218988 -0.0036626146 0.0090409603 0.0349972389 0.0299450963 0.0206502602 -0.0342602258 0.0124986550 -0.0003157399 0.0005294751 0.0003586483 -0.0000644565 -0.0000490024 -0.0000360657 0.0052061235 -0.0053615692 -0.0031780073 0.0001393590 0.0003952088 -0.0002844887 -0.0000710793 -0.0001441459 -0.0000009537 -0.0020857538 -0.0007608301 0.0005579097 0.0004899747 -0.0039224994 0.0029272765 -0.0001672444 0.0004207031 0.0000335619 0.0019020225 -0.0026509687 -0.0021124677 0.0000528671 -0.0022064056 0.0015740458 0.0000156052 0.0003177810 0.0000226665 0.0002865877 -0.0033157646 0.0018749397 -0.0008554552 -0.0003991971 -0.0017869344 0.0001996577 0.0007229157 0.0011989996 -0.0375361785 -0.0132050577 0.0734421584 0.4070795204 0.3645693019 -0.6960933509 0.0426849424 -0.2135190681 -0.1894277997 0.0112301837 -0.0263118613 -0.0049759433 -0.0390010560 0.1614122229 0.1634169366 -0.1021200583 0.1537579954 -0.0940703815 -0.0024780394 0.0032881011 -0.0033756329 -0.0015298865 0.0048274320 0.0036418903 0.0365648235 -0.0428546261 0.0309407195 -0.0019389980 0.0024790505 0.0045218055 0.0109177743 0.0112127751 -0.0196417495 0.0126340084 -0.0395808109 -0.0337527157 0.0019075069 -0.0006653533 -0.0019282208 -0.0054963921 0.0192576349 0.0151978809 -0.0052445788 -0.0056733755 0.0118887100 -0.0106817941 -0.0057365691 -0.0038108184 -0.0000809807 0.0002188592 -0.0006254566 0.0008607095 0.0005147482 -0.0021089352 -0.0090444087 -0.0104374237 0.0279622399 -0.0000110040 -0.0001578307 -0.0000823749 -0.0009309858 -0.0000290644 -0.0004917645 0.0079625753 0.0011945257 0.0000969138 0.0025689203 -0.0047047188 0.0023831838 0.0009484437 0.0036522344 0.0024344469 0.0011885341 0.0003449104 0.0018977806 -0.0096827999 0.0167845818 -0.0079698161 -0.0059631116 -0.0202454101 -0.0151865837 0.0012058413 0.0093680764 0.0063731119 -0.0254864818 -0.0950578613 -0.0843450016 0.0108595983 -0.0178547348 0.0080645706 -0.0009940532 0.0001490355 0.0003768131 0.0001686580 -0.0000057578 0.0000002282 0.0061277573 -0.0040212203 -0.0029957836 0.0000113746 -0.0000019224 -0.0000306616 -0.0001740310 0.0002242757 0.0002020952 0.0000179019 -0.0000062501 0.0000027436 0.0000265738 -0.0002284615 0.0001780360 -0.0000428479 0.0001437115 -0.0000281655 0.0004136886 -0.0005673578 -0.0004644728 0.0000909712 -0.0011198003 0.0008005861 0.0000376812 0.0000177633 0.0000857100 0.0000190520 -0.0000213055 -0.0000443128 -0.0005313894 -0.0002100693 -0.0009675654 0.0001074110 0.0000640062 0.0002841333 -0.0072822182 0.0004316751 0.0149861609 0.0720881405 0.0638528240 -0.1212881397 0.0130503661 -0.0648710193 -0.0585749695 -0.0105304318 0.0291416605 0.0164256634 0.0564452373 -0.2496279473 -0.2482949992 0.0658293950 -0.1006241653 0.0614125612 0.0022472884 -0.0052912527 -0.0051302297 -0.0157479889 0.0600693794 0.0535529074 -0.0057206988 0.0044271599 -0.0028831948 0.0341712866 -0.0215823599 -0.0716574952 -0.2534784286 -0.2423587825 0.4367497367 -0.1542018837 0.4985962836 0.4196599934 -0.0029242175 0.0055773626 0.0181469624 0.0268516103 -0.0970065810 -0.0771486045 0.0629694208 0.0598619621 -0.1293495532 -0.0548743396 -0.0290956847 -0.0103135916 -0.0000540776 0.0000491694 -0.0001375358 0.0001745009 -0.0000107353 -0.0005052495 -0.0017043426 -0.0022516876 0.0057881494 0.0000052929 -0.0000175351 -0.0000194505 -0.0001414900 0.0000141907 -0.0000804784 0.0011296469 0.0001575958 0.0000309825 0.0004691866 -0.0008967047 0.0004746240 0.0001372840 0.0005121403 0.0003258444 0.0002529475 -0.0001374091 0.0003145112 -0.0023821624 0.0042072617 -0.0020469451 -0.0007701897 -0.0024603248 -0.0017883839 -0.0000934151 0.0021908361 0.0009478943 -0.0046620489 -0.0170242845 -0.0152156632 0.0056483599 -0.0093728414 0.0037871045 -0.0002415467 0.0001347122 0.0001429750 0.0000290524 -0.0000094380 -0.0000049662 0.0018850651 -0.0018285420 -0.0012670407 0.0000545226 -0.0001544180 0.0001180170 0.0000219796 -0.0001207330 0.0000979611 -0.0004001674 -0.0001880760 0.0000907791 -0.0002373818 0.0020748786 -0.0014477230 -0.0000413820 0.0003685866 -0.0002560975 0.0000168106 -0.0000297121 -0.0000796608 0.0004447417 -0.0042509775 0.0029831064 -0.0001463611 -0.0000647804 -0.0002865552 -0.0000357470 -0.0002422608 0.0001021497 0.0019096649 0.0006667084 0.0033937900 0.0002563837 0.0000979152 0.0005026614 -0.0097619282 0.0026010918 0.0218263754 0.0949724972 0.0839281671 -0.1606637345 0.0200153584 -0.1105856628 -0.0997343965 -0.0215570415 0.0596933134 0.0313257693 0.1179314042 -0.4986689627 -0.5027827990 0.1450755748 -0.2180418205 0.1330893671 0.0189963366 -0.0233530855 0.0165451018 0.0010585348 0.0072369057 0.0077009476 -0.2254719432 0.2805182787 -0.2013956584 -0.0155006687 0.0059025973 0.0314241311 0.1251127328 0.1182189626 -0.2152492759 0.0577298113 -0.1957214707 -0.1630098242 -0.0023981583 -0.0029704674 -0.0065334080 -0.0073413295 0.0272114348 0.0214662425 -0.0217931499 -0.0188616597 0.0418542810 0.0523076902 0.0280666430 0.0133942785 -0.0001556948 0.0000543347 -0.0002674226 0.0003013656 0.0002131186 -0.0017771460 -0.0031343321 -0.0059494672 0.0191686082 -0.0000173495 0.0000150578 -0.0000553477 -0.0005615186 -0.0000009880 -0.0003529041 0.0041970325 0.0006327442 0.0001419240 0.0018561096 -0.0035411993 0.0018177075 0.0006350302 0.0027561358 0.0019559787 0.0006547863 -0.0004291454 0.0007802514 -0.0061480711 0.0109254897 -0.0053227090 -0.0017550985 -0.0056322091 -0.0040753252 -0.0005467925 0.0048469038 0.0016110655 -0.0091003068 -0.0329538311 -0.0296986567 0.0155206381 -0.0254350621 0.0101288555 -0.0003698801 0.0003761742 0.0004521659 -0.0000400095 0.0000243130 -0.0000972393 0.0045843321 -0.0046313436 -0.0029268675 -0.0010878348 -0.0062323535 0.0018882326 -0.0143065279 0.0191284547 0.0168821631 0.0323786572 0.0099763294 -0.0083593764 -0.0052898334 0.0433385867 -0.0305568438 -0.0017447279 0.0073728371 -0.0026413640 0.0145904106 -0.0199403798 -0.0161937328 0.0057397470 -0.0683715780 0.0481689233 0.0029194592 -0.0010933500 0.0065520891 -0.0010477086 0.0278762280 -0.0177916320 -0.0337249232 -0.0124992199 -0.0613196633 0.0009557642 0.0001169226 -0.0021149868 0.0049998805 0.0019627536 -0.0100774129 -0.0571806052 -0.0503686136 0.0967948093 -0.0046833416 0.0269286138 0.0235914694 0.0003504818 -0.0014024963 -0.0013863639 -0.0035573134 0.0159730822 0.0158878033 -0.0003091120 0.0006823279 -0.0003324546 -0.0008151332 0.0009603885 -0.0005512257 0.0000851251 -0.0010628546 -0.0008958274 0.0087125978 -0.0110249206 0.0079464078 0.0002601545 0.0000520094 -0.0004851238 -0.0026178374 -0.0023944266 0.0043994035 -0.0005050945 0.0020347361 0.0015992810 -0.0000842954 -0.0001026829 0.0001516322 -0.0000507553 0.0001257087 0.0001079647 0.0009772794 0.0008645928 -0.0019660504 0.0002577082 0.0001658181 0.0001082771 -0.0001940614 -0.0002900966 0.0006769246 0.0001343997 0.0005037196 0.0009741629 0.0007314934 0.0016800677 -0.0054584439 -0.0000432194 -0.0000730411 0.0001786393 -0.0105723844 0.0055194901 -0.0040361082 0.0815322673 0.0134595306 0.0026530363 0.0444942593 -0.0838742557 0.0429270635 -0.0004688860 0.0017917868 -0.0013712548 0.0111347738 -0.0161485533 0.0101766269 -0.1245243718 0.2200686073 -0.1082172239 -0.0087017304 -0.0234304837 -0.0131318675 -0.0126324096 0.0831566016 0.0226608394 -0.1473500515 -0.5101450745 -0.4622820327 0.3024153912 -0.4856366616 0.1892302723 -0.0038111519 0.0019287500 0.0031780363 -0.0000336985 0.0001737120 -0.0004103551 0.0356890117 -0.0243317512 -0.0186916238 0.0381959004 0.0670451467 -0.0354717042 0.0799106678 -0.1009962134 -0.0889970731 -0.5952584733 -0.1962097857 0.1547455654 0.0632990943 -0.5005466779 0.3604334039 0.0081560191 -0.0304952667 0.0089250513 -0.0711050621 0.0988295269 0.0796483191 -0.0252816562 0.2726472653 -0.1934119825 -0.0057055641 -0.0002510780 -0.0113073985 -0.0007598555 -0.0306967257 0.0190713918 0.0651847365 0.0244616852 0.1186000224 -0.0000237656 0.0002791476 -0.0005421836 0.0006000612 0.0003751876 -0.0011907157 -0.0071632876 -0.0064129169 0.0123461728 -0.0002740251 0.0020437982 0.0018334658 -0.0000380645 -0.0000175668 -0.0001919619 -0.0003748457 0.0014280413 0.0013810538 0.0009967272 -0.0013466386 0.0008272770 0.0001890863 -0.0003031396 0.0000833238 -0.0003131931 0.0009980036 0.0009653733 -0.0021127515 0.0025375173 -0.0018327478 0.0000214055 -0.0000634054 -0.0000612975 -0.0000380853 -0.0000411016 0.0000943949 -0.0002123440 0.0007573467 0.0006415723 0.0000079723 0.0001135056 0.0000839588 0.0003157888 -0.0010997696 -0.0008701657 0.0000137303 0.0000272624 -0.0000336035 -0.0004291707 -0.0002441489 -0.0000978175 0.0000822852 -0.0000007694 0.0002666792 0.0000305096 -0.0000292989 0.0002144265 0.0001253464 0.0004913729 -0.0016191093 0.0000143140 -0.0001478676 0.0000569839 -0.0031500722 0.0024880666 -0.0007865119 0.0238411979 0.0041701846 0.0007017484 0.0150550071 -0.0275629689 0.0139608441 -0.0017050545 -0.0064575819 -0.0055639432 0.0011305695 -0.0018850648 0.0009396667 -0.0125254217 0.0223648947 -0.0114831464 -0.0004781041 0.0004312967 0.0003976157 -0.0011547362 0.0084308438 0.0025092500 -0.0150973059 -0.0535837540 -0.0485495211 0.0294108007 -0.0478216240 0.0187263649 -0.0006518249 0.0005256695 0.0000664534 0.0000074422 -0.0001252872 0.0001576196 0.0055383088 -0.0040681764 -0.0022202162 0.0125168673 0.0141598624 -0.0113748579 -0.0024879476 0.0081187000 0.0017288542 -0.1651950308 -0.0548292706 0.0422259143 0.0147543311 -0.1228207773 0.0881452018 -0.0054149419 0.0198922499 -0.0048744068 0.0509507140 -0.0719736518 -0.0579160979 0.0182406285 -0.1706212718 0.1227145654 0.0315394585 -0.0165537764 0.0712525977 -0.0168610898 0.3387913451 -0.2198234733 -0.3541354704 -0.1361428738 -0.6391638040 -0.0003226596 -0.0004846176 0.0019105554 0.0007473564 -0.0007997198 -0.0015263950 -0.0053277538 -0.0043389572 0.0084440876 -0.0019424678 0.0130410557 0.0114931748 0.0047155271 -0.0119786536 -0.0044410877 -0.0210247609 0.0842488786 0.0857030219 -0.0354989484 0.0566213020 -0.0335271533 0.0177465841 -0.0271780754 0.0063738971 -0.0295999524 0.0945261974 0.0901445318 -0.1825880879 0.2295768554 -0.1655517355 0.0011577029 -0.0031002877 -0.0030933326 -0.0028899186 -0.0023471643 0.0052543564 -0.0104653070 0.0378997299 0.0319349436 0.0018282091 0.0031785732 0.0020661112 0.0056988041 -0.0204586630 -0.0166501467 0.0011456366 0.0009953443 -0.0012351680 -0.0306838364 -0.0166874097 -0.0079394645 0.0002549667 -0.0005028515 -0.0008636213 0.0002033547 0.0003273802 -0.0011954042 -0.0004098704 -0.0030600171 0.0106587343 -0.0004400361 0.0009608570 0.0000671179 0.0033188943 -0.0025172292 0.0009046916 -0.0256386143 -0.0047908204 -0.0006449257 -0.0159264284 0.0292728296 -0.0147377119 0.0019341555 0.0056033450 0.0051348708 -0.0015760589 0.0033517508 -0.0010802789 0.0204231707 -0.0359130173 0.0173349860 -0.0014800349 -0.0047826133 -0.0044935860 0.0005444973 -0.0050839123 -0.0017530424 0.0100552380 0.0347911132 0.0315579206 -0.0167721384 0.0269348129 -0.0105388480 0.0003935018 -0.0002853670 -0.0002105369 -0.0000260277 0.0000437531 -0.0000019366 -0.0034246852 0.0027212792 0.0018508597 -0.0057264325 -0.0064859465 0.0051016996 0.0005320094 -0.0029208145 -0.0002326859 0.0760028222 0.0252256861 -0.0194309508 -0.0066916779 0.0553298779 -0.0397150591 0.0022956510 -0.0085650834 0.0021991250 -0.0213755978 0.0302113842 0.0243545998 -0.0079846815 0.0741938851 -0.0533349664 -0.0136028106 0.0071581901 -0.0306777273 0.0073075459 -0.1460511642 0.0947615340 0.1524225032 0.0586526829 0.2752081997 0.0000300605 0.0003355829 -0.0009957421 0.0024647857 -0.0015491246 -0.0051352609 -0.0210466222 -0.0181073057 0.0344173822 -0.0050487804 0.0338259108 0.0305502701 0.0110035473 -0.0282104402 -0.0108608552 -0.0498144873 0.2012206463 0.2045931656 -0.0816300389 0.1305200874 -0.0770952996 0.0406225045 -0.0623182832 0.0144373809 -0.0684208021 0.2181031677 0.2080577266 -0.4176246491 0.5248853407 -0.3786232898 0.0028275312 -0.0072457392 -0.0074649491 -0.0078222251 -0.0064964766 0.0141183897 -0.0247373512 0.0897644880 0.0756305520 0.0045507649 0.0081360225 0.0055621131 0.0151789673 -0.0539804813 -0.0437281073 0.0037766203 0.0034234678 -0.0050387369 -0.0777848444 -0.0423351286 -0.0201123273 -0.0000424113 0.0001929283 0.0004704221 0.0003375282 0.0007145522 -0.0013226350 -0.0004981407 -0.0042833713 0.0159258008 0.0002025890 -0.0004175329 -0.0000262199 -0.0012070030 0.0012132411 -0.0002140798 0.0093349143 0.0017889545 0.0002055223 0.0064402442 -0.0117595749 0.0059422582 -0.0012794139 -0.0045251248 -0.0038125077 0.0005862602 -0.0013332293 0.0003750432 -0.0079451543 0.0139054495 -0.0066985272 0.0007743828 0.0024167731 0.0021878766 -0.0000792412 0.0021097796 0.0009171223 -0.0046477636 -0.0160641706 -0.0144731210 0.0060560321 -0.0093995083 0.0037043905 -0.0002064812 -0.0000395855 -0.0001405002 0.0000742434 -0.0000550165 0.0000752397 0.0001356862 0.0009019639 0.0003959504 -0.0008816661 -0.0014103589 0.0004696228 -0.0033807694 0.0037344193 0.0033336380 0.0141511191 0.0044186453 -0.0036845584 -0.0009949342 0.0076653051 -0.0056025153 -0.0002937029 0.0007501180 0.0000840346 0.0033813911 -0.0048523932 -0.0037248731 0.0005807166 -0.0045985384 0.0036149496 0.0019651173 -0.0009514250 0.0044254258 -0.0009240931 0.0204328506 -0.0132800860 -0.0220873668 -0.0085284842 -0.0399123498 -0.0002559920 -0.0000281411 0.0005731844 -0.0005609547 -0.0003011799 0.0011516287 0.0069194690 0.0060474391 -0.0116344180 0.0003344921 -0.0023901645 -0.0020553768 0.0000372711 -0.0000394719 0.0000569848 0.0000105643 -0.0001925754 -0.0001613526 -0.0005001754 0.0007165528 -0.0004510115 0.0001184559 -0.0001667703 0.0000379890 -0.0001665250 0.0005822562 0.0005349919 -0.0011365962 0.0014658686 -0.0010630897 0.0000165726 -0.0000135320 -0.0000352290 -0.0001192597 -0.0001046044 0.0001996889 -0.0000793052 0.0002622334 0.0002150677 -0.0000348808 -0.0000511830 -0.0000024378 -0.0000911828 0.0002935192 0.0002283353 0.0001433251 0.0001355160 -0.0003054770 0.0003425786 0.0001972273 0.0000941168 0.0000579122 -0.0000061793 -0.0002006859 -0.0000540507 -0.0001388283 -0.0002039107 0.0000460062 -0.0001711447 0.0007489712 0.0000018240 0.0000578979 -0.0000277039 -0.0692499582 0.0488782593 -0.0157393860 0.5616110590 0.1042331230 0.0117253847 0.3053782496 -0.5590081256 0.2809097224 -0.0412703756 -0.1267728079 -0.1044179519 0.0080530544 -0.0278222124 0.0019253467 -0.1344911651 0.2288239544 -0.1119293790 0.0330236254 0.1067703260 0.0854016173 0.0033180139 -0.0195091001 -0.0049063816 0.0341228470 0.1169928267 0.1040354337 -0.0687702232 0.1133432252 -0.0440836919 0.0010981604 -0.0005124015 -0.0006971418 -0.0001436178 -0.0000472106 0.0001860491 -0.0092925971 0.0061040941 0.0050612249 0.0003169844 -0.0000605955 -0.0001718863 -0.0010794220 0.0018193138 0.0013022699 -0.0026827075 -0.0009277950 0.0007053700 0.0000653488 -0.0001447263 0.0001327183 -0.0000483818 0.0003923136 -0.0002517775 0.0001573487 -0.0002304066 -0.0001790234 0.0004432919 -0.0043704853 0.0030816886 -0.0002763687 0.0000701125 -0.0006003175 0.0000475307 -0.0021697264 0.0014145562 0.0031505196 0.0011765326 0.0057186147 0.0000351552 -0.0000567938 -0.0001221510 0.0003141384 -0.0002655513 -0.0007245073 -0.0027410271 -0.0023165849 0.0043253468 -0.0006418524 0.0055117146 0.0049451465 0.0016511726 -0.0039591269 -0.0015820548 -0.0079669401 0.0290462134 0.0299224402 -0.0108749906 0.0182802421 -0.0112012917 0.0044490111 -0.0067761863 0.0003787280 -0.0081515147 0.0348876258 0.0335727548 -0.0405446769 0.0500550200 -0.0353879772 0.0047992889 -0.0104012289 -0.0121084492 -0.0180246121 -0.0167205779 0.0318270273 -0.0416759889 0.1306143095 0.1094922387 -0.0391516577 -0.0696199636 -0.0447702470 -0.1544744874 0.4992786285 0.3941940487 0.0025010173 -0.0032449792 -0.0241750365 0.6154168477 0.3376921317 0.1626915175 -0.0000076751 0.0000172313 0.0000682357 -0.0000253366 0.0000907776 -0.0001187280 -0.0000098045 -0.0004309604 0.0016907125 -0.0000110881 0.0000235240 0.0000026386 -0.0004442454 -0.0004742100 -0.0003018282 0.0044126524 0.0006934076 0.0000701138 -0.0001625966 0.0001132323 -0.0001101235 0.0010330678 0.0048277131 0.0037019873 -0.0002102538 0.0004600253 -0.0001370978 0.0026980299 -0.0046688171 0.0022898664 -0.0002688887 -0.0008585184 -0.0006901680 0.0000098141 -0.0000372559 0.0000053308 0.0000478201 0.0001567443 0.0001632498 -0.0001548696 0.0003391174 -0.0001462472 0.0000796715 -0.0000510032 -0.0000246779 -0.0000159442 0.0000115196 -0.0000097283 -0.0006116479 0.0005766422 0.0003941045 -0.0009312442 -0.0011064002 0.0009014520 0.0004813083 -0.0022956659 -0.0003571851 0.0116397081 0.0037153522 -0.0028780518 -0.0015506234 0.0104456712 -0.0078035852 0.0009861257 -0.0045227526 0.0018890717 -0.0078083817 0.0112836118 0.0088490155 -0.0040996251 0.0425109607 -0.0303110448 0.0010307886 -0.0012088853 0.0025495304 -0.0007112504 0.0179695425 -0.0116395488 -0.0108812721 -0.0041556148 -0.0191339660 -0.0000742753 -0.0000632284 0.0003369237 -0.0003218532 -0.0001354852 0.0006563361 0.0036386674 0.0033277588 -0.0063403657 0.0003117577 -0.0016713865 -0.0014726018 -0.0000455082 0.0001198061 0.0000226688 0.0001004926 -0.0006831066 -0.0006912764 0.0004715056 -0.0006892989 0.0003858800 0.0000009852 0.0000370192 0.0000439109 0.0001980628 -0.0004315760 -0.0004180110 -0.0000901328 0.0000589296 -0.0000171660 0.0000031771 -0.0001199671 -0.0000442822 0.0003266530 0.0002721961 -0.0004730232 -0.0003684070 0.0010458675 0.0009089914 -0.0002873072 -0.0006484988 -0.0006302276 -0.0016619456 0.0054505279 0.0042782398 -0.0008886949 -0.0008904040 0.0016764837 0.0059468690 0.0032442565 0.0015386482 0.0000749313 0.0000283176 -0.0001442733 0.0000222276 0.0000058667 -0.0002185978 -0.0001264935 -0.0004694733 0.0016951590 -0.0000412181 0.0000864945 -0.0000362700 0.0512369485 0.0598704907 0.0339273955 -0.5358286061 -0.0841705140 -0.0081417740 0.0450093413 -0.0583409637 0.0367071771 -0.1210435969 -0.5700142846 -0.4376798204 0.0149109889 -0.0270681098 0.0115993338 -0.1787970539 0.3071954201 -0.1508390329 0.0091013799 0.0215480399 0.0176115641 0.0014257099 -0.0066349167 -0.0013062364 0.0068923458 0.0305675572 0.0283599331 -0.0286033538 0.0445985582 -0.0162333884 0.0003764751 -0.0003796173 0.0004601845 -0.0003496340 0.0001378871 -0.0001148706 -0.0002769259 0.0005142869 -0.0004663468 -0.0289301398 -0.0071511394 0.0208663373 0.0808635725 -0.1346312212 -0.0920084796 0.2804545882 0.0963512764 -0.0721464418 -0.0194625388 0.1238943664 -0.0930721864 0.0137808709 -0.0685087892 0.0306193593 -0.1062774125 0.1516388971 0.1194131336 -0.0649660356 0.6652909836 -0.4740290056 0.0114336302 -0.0134103476 0.0277674065 -0.0073280357 0.1971214290 -0.1272151950 -0.1184726943 -0.0444622653 -0.2075286411 -0.0001908012 -0.0003480460 0.0010577948 -0.0000508530 0.0000700339 0.0000816802 0.0000972062 0.0001904025 -0.0002903914 0.0001897640 -0.0007648228 -0.0007616791 -0.0000850284 0.0002144496 0.0000563168 0.0001578725 -0.0013012679 -0.0013352703 0.0008696817 -0.0012422927 0.0006812236 -0.0000057222 0.0000346760 0.0000398221 0.0001958605 -0.0004103656 -0.0004242976 -0.0000720625 -0.0000233103 0.0000402127 -0.0000022689 -0.0001192475 -0.0000321586 0.0003879594 0.0003119286 -0.0005689453 -0.0003558222 0.0009982348 0.0008916781 -0.0001754888 -0.0004951737 -0.0005512834 -0.0013751584 0.0045270801 0.0035362182 -0.0009660109 -0.0009556095 0.0018722003 0.0044081287 0.0023879719 0.0011279553 0.0005058550 -0.0001645798 -0.0004175143 0.0001157858 0.0001448791 -0.0003006726 -0.0002409351 -0.0009992086 0.0024382196 -0.0003832474 0.0006811302 -0.0001154896 -0.0023290862 -0.0059091402 -0.0024572547 0.0273994774 0.0039853102 0.0004376014 -0.0101889219 0.0167184013 -0.0092150057 0.0107677282 0.0498708731 0.0375805266 0.0001840686 -0.0005139552 0.0000665721 -0.0024121342 0.0052732697 -0.0019774163 0.0001668550 0.0010417968 0.0013434551 -0.0002801681 0.0031720060 0.0011614380 -0.0057995437 -0.0223700608 -0.0204871919 0.0101727504 -0.0167660502 0.0064109488 -0.0006523055 0.0004046310 0.0000605401 0.0000657018 -0.0000169265 0.0001065558 0.0043776643 -0.0032336263 -0.0018679870 -0.0481816998 0.0468300217 0.0237035680 0.2916584962 -0.4672083345 -0.3422505103 0.2679896840 0.0943871794 -0.0723312666 0.0182252752 -0.1836320459 0.1339710488 -0.0050198084 0.0159376244 -0.0020912107 0.0471021819 -0.0756577749 -0.0619301055 0.0119849776 -0.1171239947 0.0826811115 -0.0005717647 0.0019979111 -0.0024688707 0.0003139655 -0.0242569864 0.0157649964 0.0073117036 0.0028145547 0.0143493968 0.0005525398 -0.0005315507 -0.0005873737 0.0003129550 0.0003164518 -0.0006745676 -0.0043862587 -0.0039777099 0.0076164530 0.0000119507 0.0003380782 0.0003021213 -0.0000763823 0.0001240845 -0.0000400890 0.0000758450 -0.0002503962 -0.0003064924 0.0009947748 -0.0013606207 0.0008349331 -0.0000681726 0.0000986776 -0.0000153852 0.0001276271 -0.0004019226 -0.0003597609 0.0005783335 -0.0008613463 0.0006339062 -0.0000174745 -0.0000031385 0.0000315086 0.0001486404 0.0001301771 -0.0002570638 0.0000451069 -0.0001355196 -0.0001144764 -0.0001186685 -0.0000430262 0.0001176291 0.0001164826 -0.0004596411 -0.0003386138 0.0005725971 0.0005671078 -0.0012730792 0.0007612568 0.0004149839 0.0002264320 -0.0001690254 0.0000769456 0.0002597468 0.0001288815 0.0004214185 0.0003899784 -0.0004380502 -0.0002690035 -0.0007934647 -0.0002237381 0.0000814970 -0.0000746670 -0.0038736276 0.0308117914 0.0054674497 -0.0089414378 0.0015326069 -0.0004179328 0.0983249510 -0.1759882203 0.0933288497 -0.0437972452 -0.1961076237 -0.1542546587 -0.0153744811 0.0446967697 -0.0062170186 0.2228869872 -0.3863591843 0.1896479642 -0.0411933236 -0.1445498485 -0.1158630593 -0.0024198908 0.0108954560 0.0021543311 -0.0181166169 -0.0578225722 -0.0503992539 0.0467435149 -0.0717673350 0.0269061990 -0.0021921204 0.0013908672 -0.0008578807 0.0006217250 -0.0003820163 0.0007146883 0.0131346584 -0.0095166989 -0.0048364062 -0.0375267187 0.0395994653 0.0178399567 0.2351863467 -0.3793746973 -0.2765983160 0.1974939285 0.0695064513 -0.0538758065 0.0166887703 -0.1644698323 0.1200584560 -0.0046861865 0.0157766144 -0.0028833032 0.0429979450 -0.0686134409 -0.0555466794 0.0132120508 -0.1209785846 0.0865840836 -0.0004004058 0.0020095049 -0.0022366141 0.0000154752 -0.0245399276 0.0159584380 0.0057879527 0.0020948573 0.0113545303 0.0004138232 -0.0006390651 -0.0001667933 -0.0002497352 -0.0002531229 0.0004736019 0.0033541755 0.0027658540 -0.0056793338 -0.0001472172 0.0000030275 0.0002158039 0.0000378917 -0.0000930469 -0.0000707242 -0.0001702068 0.0009318816 0.0009337987 -0.0001799841 0.0002733956 -0.0001788265 0.0000712051 -0.0001035567 0.0000137831 -0.0001435227 0.0004847547 0.0004703298 -0.0006514577 0.0007786419 -0.0005591855 0.0000400931 -0.0000812092 -0.0001013772 -0.0001070368 -0.0001211735 0.0002495658 -0.0003309598 0.0010732396 0.0009127049 0.0001170015 -0.0001042399 -0.0003875079 -0.0006730852 0.0022951398 0.0017629955 -0.0012958987 -0.0012746172 0.0027569474 0.0005474054 0.0002825833 0.0000945223 -0.0001803159 0.0001308410 0.0001367984 0.0000729685 0.0003867868 0.0000141357 -0.0005713648 -0.0008562398 0.0020386190 -0.0002537544 0.0001590939 -0.0000901281 0.0053205145 -0.0361133830 -0.0061991866 0.0027238799 -0.0030748852 0.0005790251 -0.1169288264 0.2099193264 -0.1111316487 0.0509725794 0.2277161980 0.1799992322 0.0193151830 -0.0554197013 0.0079298070 -0.2775438902 0.4807124382 -0.2371731719 0.0504969785 0.1783688243 0.1423488378 0.0026969453 -0.0123503795 -0.0024326936 0.0210712831 0.0657342295 0.0581938576 -0.0526412028 0.0798690936 -0.0288312712 -0.0004229308 0.0002894366 -0.0006137356 -0.0001516886 -0.0001448019 0.0006257881 0.0011202792 -0.0010471340 0.0012795010 -0.0001163215 0.0000617633 0.0000961757 0.0007322439 -0.0011937989 -0.0008205254 0.0006908755 0.0002397454 -0.0001902606 -0.0000429922 0.0002015451 -0.0001525215 0.0000318430 -0.0001385286 0.0000525674 -0.0003019008 0.0003996106 0.0003022588 -0.0000923833 0.0012773485 -0.0009145824 0.0000562434 -0.0001039682 0.0001325479 -0.0000886656 0.0012913381 -0.0008301553 -0.0004708625 -0.0001813680 -0.0007965730 0.0000115334 -0.0000208098 0.0000278238 -0.0000197039 -0.0000707914 0.0000592457 0.0010300510 0.0008212593 -0.0014381468 -0.0001827387 0.0000217129 0.0000913119 0.0020958116 -0.0041914110 0.0005685011 -0.0021686270 0.0131453483 0.0135147274 -0.0256556905 0.0366172071 -0.0221118443 0.0001049265 0.0003979542 0.0008997791 0.0011343544 -0.0085342382 -0.0078038259 -0.0015508044 0.0024188714 -0.0022130518 -0.0074216570 0.0015356612 0.0143479387 0.0583407744 0.0576183550 -0.1055294752 0.0253787819 -0.0751941104 -0.0631558505 -0.0551128849 -0.0176888926 0.0710402348 0.0687475959 -0.2625316170 -0.1958756864 0.3342920512 0.3259978443 -0.7308758094 0.2600124437 0.1475302735 0.0808570616 -0.0000129678 0.0000054860 -0.0000159292 -0.0000230213 0.0000536730 -0.0002059221 -0.0003551849 -0.0005656101 0.0022265649 -0.0000155354 0.0000284258 -0.0000096270 0.0001679910 -0.0001038735 0.0000328573 -0.0014528246 -0.0002538325 -0.0000176204 -0.0006613605 0.0012616393 -0.0006457751 0.0000876411 0.0002568717 0.0002278924 0.0001307345 -0.0002955848 0.0000798638 -0.0016925218 0.0029214490 -0.0014354853 0.0001754197 0.0006070138 0.0004956081 0.0000363438 -0.0001929598 -0.0000402605 0.0003335944 0.0009968193 0.0009032239 -0.0007752871 0.0012646897 -0.0004536118 0.0000442110 -0.0000021235 0.0000318879 -0.0000262924 0.0000148762 -0.0000223474 -0.0000185126 -0.0000241951 0.0000409162 -0.0001032039 0.0000024681 0.0000864229 0.0005091221 -0.0009162262 -0.0003972905 0.0008760516 0.0002554755 -0.0002579351 -0.0001121342 0.0005587821 -0.0003540165 0.0000093946 -0.0000894339 0.0000572907 0.0002212176 -0.0001119723 -0.0001729644 -0.0000856808 0.0009273091 -0.0006949554 0.0001082456 0.0002730418 0.0002525613 -0.0003443297 0.0005643442 -0.0000597811 -0.0019836605 -0.0010554241 -0.0042223478 0.0015657796 -0.0041355644 -0.0008198624 -0.0030198697 0.0017618174 0.0022917272 0.0111866618 0.0116020903 -0.0213094187 0.0080550801 -0.0212776375 -0.0161359318 -0.0002138356 -0.0001180056 -0.0000368097 -0.0001735721 0.0005458107 0.0000728117 0.0013332836 -0.0000195276 0.0002983464 0.0011234556 -0.0016858123 0.0008873207 -0.0003874528 0.0020922719 0.0022249763 -0.0131256691 0.0176501482 -0.0119209958 -0.0000587074 0.0000562497 0.0000308912 0.0008504639 0.0006533736 -0.0009104732 0.0000527216 -0.0004262962 -0.0002765539 -0.0001181406 -0.0000882174 0.0001349590 -0.0000055492 -0.0000780673 -0.0000196464 0.0007146642 0.0008001058 -0.0018461779 0.0002108898 0.0002785945 -0.0000199402 0.0000749033 0.0002822841 -0.0006567548 -0.0113369981 -0.0210948594 0.0824863432 0.1318035960 0.2741404996 -0.9475416280 -0.0001800455 0.0003466724 -0.0000062927 0.0000803708 -0.0000176738 0.0000125827 -0.0008543020 -0.0001441608 -0.0000079197 -0.0001691590 0.0004285453 -0.0002178143 0.0000523640 -0.0000350799 -0.0000165212 0.0000936456 -0.0000929840 0.0000494725 -0.0009348738 0.0013785498 -0.0006924824 -0.0002276294 -0.0003803902 -0.0002345824 0.0002276800 -0.0002706449 0.0000609512 0.0009091590 -0.0001919143 -0.0005654920 -0.0019951537 0.0032126791 -0.0010049439 0.0005381748 0.0001940423 0.0007817970 -0.0002915639 0.0003369927 -0.0004836401 0.0021334335 -0.0044730381 -0.0027869114</array>
                  </module>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="3.49250328" y3="-1.86725083" z3="0.60224685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="2.99027664" y3="-1.06872316" z3="1.17824167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="4.50949961" y3="-1.5197576" z3="0.34104702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="3.597302" y3="-2.75603057" z3="1.25447733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="2.69147299" y3="-2.19999691" z3="-0.65261456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="3.21010982" y3="-2.97357798" z3="-1.25459112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="2.60058586" y3="-1.30533261" z3="-1.29263175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="1.27966387" y3="-2.70715738" z3="-0.35886375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="1.33655269" y3="-3.64220729" z3="0.23030862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="0.76161077" y3="-2.91625039" z3="-1.31140052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-0.07628566" y3="-0.76312635" z3="-0.24881379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.57755456" y3="1.21778566" z3="0.01631705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.07297752" y3="1.67744277" z3="-0.85422775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.74526947" y3="2.03508328" z3="0.74966021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.94804071" y3="0.71159138" z3="-0.47307821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-2.76667745" y3="-0.05695221" z3="-1.24802298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-3.48937635" y3="1.54364869" z3="-0.96775103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-3.81406578" y3="0.1177933" z3="0.63626444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-4.05966771" y3="0.90833148" z3="1.37512165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-3.21075606" y3="-0.63325941" z3="1.17671113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-5.1096924" y3="-0.54525805" z3="0.15916779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-5.6117624" y3="-1.01936439" z3="1.0242568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-4.85515788" y3="-1.36774486" z3="-0.53613319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-6.09490534" y3="0.402601" z3="-0.52485416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-6.3461764" y3="1.253987" z3="0.13493911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-5.67495467" y3="0.81906414" z3="-1.45667218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-7.03764239" y3="-0.11302437" z3="-0.78406465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="0.02899131" y3="-0.6891487" z3="-1.48030591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-0.66920512" y3="0.17786669" z3="0.61330616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-0.82389975" y3="-0.13521635" z3="1.6496694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="0.51987478" y3="-1.82113163" z3="0.41923073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="3.78870342" y3="2.29822352" z3="-1.55046131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="4.87874368" y3="2.48448133" z3="-1.53600629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="3.30163061" y3="3.18124062" z3="-2.00506418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="3.59984072" y3="1.43881164" z3="-2.21926417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="3.24348536" y3="2.02072715" z3="-0.15176369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="3.75134606" y3="1.14365184" z3="0.28330098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="3.47907269" y3="2.87129369" z3="0.51693585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="1.73807984" y3="1.75027537" z3="-0.14526227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="1.50979416" y3="0.95247258" z3="-0.87682764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="1.18585616" y3="2.64422107" z3="-0.49222599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="1.23350986" y3="1.36026333" z3="1.24902828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="1.91614149" y3="0.68220595" z3="2.01423977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="0.46564851" y3="2.05847496" z3="1.66809952">
                           <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 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" 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:3.4925,-1.8673,.6022;2.9903,-1.0687,1.1782;4.5095,-1.5198,.341;3.5973,-2.756,1.2545;2.6915,-2.2,-.6526;3.2101,-2.9736,-1.2546;2.6006,-1.3053,-1.2926;1.2797,-2.7072,-.3589;1.3366,-3.6422,.2303;.7616,-2.9163,-1.3114;-.0763,-.7631,-.2488;-1.5776,1.2178,.0163;-1.073,1.6774,-.8542;-1.7453,2.0351,.7497;-2.948,.7116,-.4731;-2.7667,-.057,-1.248;-3.4894,1.5436,-.9678;-3.8141,.1178,.6363;-4.0597,.9083,1.3751;-3.2108,-.6333,1.1767;-5.1097,-.5453,.1592;-5.6118,-1.0194,1.0243;-4.8552,-1.3677,-.5361;-6.0949,.4026,-.5249;-6.3462,1.254,.1349;-5.675,.8191,-1.4567;-7.0376,-.113,-.7841;.029,-.6891,-1.4803;-.6692,.1779,.6133;-.8239,-.1352,1.6497;.5199,-1.8211,.4192;3.7887,2.2982,-1.5505;4.8787,2.4845,-1.536;3.3016,3.1812,-2.0051;3.5998,1.4388,-2.2193;3.2435,2.0207,-.1518;3.7513,1.1437,.2833;3.4791,2.8713,.5169;1.7381,1.7503,-.1453;1.5098,.9525,-.8768;1.1859,2.6442,-.4922;1.2335,1.3603,1.249;1.9161,.6822,2.0142;.4656,2.0585,1.6681;</scalar>
</formula>
</molecule>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="3.49250328" y3="-1.86725083" z3="0.60224685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="2.99027664" y3="-1.06872316" z3="1.17824167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="4.50949961" y3="-1.5197576" z3="0.34104702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="3.597302" y3="-2.75603057" z3="1.25447733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="2.69147299" y3="-2.19999691" z3="-0.65261456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="3.21010982" y3="-2.97357798" z3="-1.25459112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="2.60058586" y3="-1.30533261" z3="-1.29263175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="1.27966387" y3="-2.70715738" z3="-0.35886375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="1.33655269" y3="-3.64220729" z3="0.23030862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="0.76161077" y3="-2.91625039" z3="-1.31140052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-0.07628566" y3="-0.76312635" z3="-0.24881379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.57755456" y3="1.21778566" z3="0.01631705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.07297752" y3="1.67744277" z3="-0.85422775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.74526947" y3="2.03508328" z3="0.74966021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.94804071" y3="0.71159138" z3="-0.47307821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-2.76667745" y3="-0.05695221" z3="-1.24802298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-3.48937635" y3="1.54364869" z3="-0.96775103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-3.81406578" y3="0.1177933" z3="0.63626444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-4.05966771" y3="0.90833148" z3="1.37512165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-3.21075606" y3="-0.63325941" z3="1.17671113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-5.1096924" y3="-0.54525805" z3="0.15916779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-5.6117624" y3="-1.01936439" z3="1.0242568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-4.85515788" y3="-1.36774486" z3="-0.53613319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-6.09490534" y3="0.402601" z3="-0.52485416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-6.3461764" y3="1.253987" z3="0.13493911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-5.67495467" y3="0.81906414" z3="-1.45667218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-7.03764239" y3="-0.11302437" z3="-0.78406465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="0.02899131" y3="-0.6891487" z3="-1.48030591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-0.66920512" y3="0.17786669" z3="0.61330616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-0.82389975" y3="-0.13521635" z3="1.6496694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="0.51987478" y3="-1.82113163" z3="0.41923073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="3.78870342" y3="2.29822352" z3="-1.55046131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="4.87874368" y3="2.48448133" z3="-1.53600629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="3.30163061" y3="3.18124062" z3="-2.00506418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="3.59984072" y3="1.43881164" z3="-2.21926417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="3.24348536" y3="2.02072715" z3="-0.15176369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="3.75134606" y3="1.14365184" z3="0.28330098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="3.47907269" y3="2.87129369" z3="0.51693585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="1.73807984" y3="1.75027537" z3="-0.14526227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="1.50979416" y3="0.95247258" z3="-0.87682764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="1.18585616" y3="2.64422107" z3="-0.49222599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="1.23350986" y3="1.36026333" z3="1.24902828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="1.91614149" y3="0.68220595" z3="2.01423977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="0.46564851" y3="2.05847496" z3="1.66809952">
                           <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 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" 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:3.4925,-1.8673,.6022;2.9903,-1.0687,1.1782;4.5095,-1.5198,.341;3.5973,-2.756,1.2545;2.6915,-2.2,-.6526;3.2101,-2.9736,-1.2546;2.6006,-1.3053,-1.2926;1.2797,-2.7072,-.3589;1.3366,-3.6422,.2303;.7616,-2.9163,-1.3114;-.0763,-.7631,-.2488;-1.5776,1.2178,.0163;-1.073,1.6774,-.8542;-1.7453,2.0351,.7497;-2.948,.7116,-.4731;-2.7667,-.057,-1.248;-3.4894,1.5436,-.9678;-3.8141,.1178,.6363;-4.0597,.9083,1.3751;-3.2108,-.6333,1.1767;-5.1097,-.5453,.1592;-5.6118,-1.0194,1.0243;-4.8552,-1.3677,-.5361;-6.0949,.4026,-.5249;-6.3462,1.254,.1349;-5.675,.8191,-1.4567;-7.0376,-.113,-.7841;.029,-.6891,-1.4803;-.6692,.1779,.6133;-.8239,-.1352,1.6497;.5199,-1.8211,.4192;3.7887,2.2982,-1.5505;4.8787,2.4845,-1.536;3.3016,3.1812,-2.0051;3.5998,1.4388,-2.2193;3.2435,2.0207,-.1518;3.7513,1.1437,.2833;3.4791,2.8713,.5169;1.7381,1.7503,-.1453;1.5098,.9525,-.8768;1.1859,2.6442,-.4922;1.2335,1.3603,1.249;1.9161,.6822,2.0142;.4656,2.0585,1.6681;</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">-774.604306138182</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.394002539304</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-774.210303598878</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">0.411827975123</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.415604713400</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-774.188701424782</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">0.000053799128</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">0.000120337821</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.343555962064</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-774.260750176118</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">-774.604306138182</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.394002539304</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-774.210303598878</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">0.411827975123</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.415604713400</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-774.188701424782</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">0.000053799128</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">0.000120337821</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.343555962064</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-774.260750176118</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule cmlx:templateRef="atom" id="molecule">
               <atomArray>
                  <atom elementType="C" id="a1" x3="-3.51123213" y3="-2.18677248" z3="10.87993313">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a2" x3="-3.47840572" y3="-1.24231291" z3="10.30672582">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a3" x3="-3.26430523" y3="-1.96174964" z3="11.93428141">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a4" x3="-4.54727317" y3="-2.57687271" z3="10.85240934">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a5" x3="-2.52971568" y3="-3.19703272" z3="10.29423155">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a6" x3="-2.53010134" y3="-4.13327211" z3="10.88857427">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a7" x3="-1.50274081" y3="-2.79443639" z3="10.33354419">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a8" x3="-2.82895095" y3="-3.56716627" z3="8.84159061">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a9" x3="-3.83046225" y3="-4.03343163" z3="8.7763948">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a10" x3="-2.07428256" y3="-4.29101167" z3="8.48669817">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a11" x3="-1.65978886" y3="-1.97047589" z3="7.53254263">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="C" id="a12" x3="-0.57651739" y3="-0.27000971" z3="6.05502689">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a13" x3="0.31405426" y3="-0.31419953" z3="6.70974842">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a14" x3="-0.7152938" y3="0.79860005" z3="5.78537866">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a15" x3="-0.23393723" y3="-1.05639802" z3="4.77510309">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a16" x3="-0.03650599" y3="-2.105342" z3="5.06635676">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a17" x3="0.70850352" y3="-0.66078119" z3="4.34457135">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a18" x3="-1.33873504" y3="-1.02284375" z3="3.72081062">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a19" x3="-1.48451825" y3="0.02063781" z3="3.37285314">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a20" x3="-2.28480449" y3="-1.32134748" z3="4.20660228">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a21" x3="-1.10267379" y3="-1.92918079" z3="2.50889689">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a22" x3="-1.99693147" y3="-1.89988862" z3="1.85722576">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a23" x3="-1.01156167" y3="-2.97552882" z3="2.85756608">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a24" x3="0.12746017" y3="-1.56954643" z3="1.67558968">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a25" x3="0.08083236" y3="-0.51770558" z3="1.33679904">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a26" x3="1.0584144" y3="-1.68898856" z3="2.2562296">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a27" x3="0.20856762" y3="-2.20975346" z3="0.77816598">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="O" id="a28" x3="-0.61758637" y3="-2.56121149" z3="7.84555092">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="C" id="a29" x3="-1.77257979" y3="-0.75924996" z3="6.82509501">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a30" x3="-2.77504116" y3="-0.47778782" z3="6.49065451">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="O" id="a31" x3="-2.87621593" y3="-2.45919059" z3="7.98257487">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="C" id="a32" x3="0.47519398" y3="0.18286582" z3="11.6324521">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a33" x3="0.39571687" y3="0.42537504" z3="12.70853823">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a34" x3="1.40367123" y3="0.64671749" z3="11.24983676">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a35" x3="0.59285438" y3="-0.91210042" z3="11.53885647">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a36" x3="-0.74741927" y3="0.66059921" z3="10.85295891">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a37" x3="-1.65973407" y3="0.19275513" z3="11.25949116">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a38" x3="-0.87698637" y3="1.75142017" z3="10.99240744">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a39" x3="-0.66668988" y3="0.32875749" z3="9.36205447">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a40" x3="-0.4577352" y3="-0.7508853" z3="9.24163481">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a41" x3="0.1887305" y3="0.85486106" z3="8.8973559">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a42" x3="-1.95275624" y3="0.71241962" z3="8.62071574">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="O" id="a43" x3="-3.05748856" y3="0.60153598" z3="9.14851086">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="H" id="a44" x3="-1.80339042" y3="1.4693164" z3="7.80983453">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a31" 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 a13" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" 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 a36" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a42 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:-3.5112,-2.1868,10.8799;-3.4784,-1.2423,10.3067;-3.2643,-1.9617,11.9343;-4.5473,-2.5769,10.8524;-2.5297,-3.197,10.2942;-2.5301,-4.1333,10.8886;-1.5027,-2.7944,10.3335;-2.829,-3.5672,8.8416;-3.8305,-4.0334,8.7764;-2.0743,-4.291,8.4867;-1.6598,-1.9705,7.5325;-.5765,-.27,6.055;.3141,-.3142,6.7097;-.7153,.7986,5.7854;-.2339,-1.0564,4.7751;-.0365,-2.1053,5.0664;.7085,-.6608,4.3446;-1.3387,-1.0228,3.7208;-1.4845,.0206,3.3729;-2.2848,-1.3213,4.2066;-1.1027,-1.9292,2.5089;-1.9969,-1.8999,1.8572;-1.0116,-2.9755,2.8576;.1275,-1.5695,1.6756;.0808,-.5177,1.3368;1.0584,-1.689,2.2562;.2086,-2.2098,.7782;-.6176,-2.5612,7.8456;-1.7726,-.7592,6.8251;-2.775,-.4778,6.4907;-2.8762,-2.4592,7.9826;.4752,.1829,11.6325;.3957,.4254,12.7085;1.4037,.6467,11.2498;.5929,-.9121,11.5389;-.7474,.6606,10.853;-1.6597,.1928,11.2595;-.877,1.7514,10.9924;-.6667,.3288,9.3621;-.4577,-.7509,9.2416;.1887,.8549,8.8974;-1.9528,.7124,8.6207;-3.0575,.6015,9.1485;-1.8034,1.4693,7.8098;</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">-774.604306138182</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">-0.000000171827 0.000004469142 0.000001830623 0.000000750287 -0.000001580899 0.000001073124 -0.000000182166 0.000000605202 -0.000001007025 -0.000002888650 -0.000000654791 0.000000804758 -0.000001757310 -0.000003236711 -0.000003401587 0.000000749579 -0.000002875519 0.000001241526 0.000006361487 0.000000854229 0.000000389843 -0.000000055152 -0.000000230614 0.000001232212 0.000000343141 -0.000001032434 0.000000808502 0.000000617968 -0.000000643949 0.000000353733 0.000003399893 -0.000002342521 0.000002281536 0.000000421601 -0.000000167294 -0.000000541741 -0.000004057537 -0.000003268816 -0.000002703607 -0.000000143038 -0.000004573923 0.000000882400 0.000000628911 0.000000376123 -0.000001220321 0.000000056331 0.000000426008 -0.000003540740 -0.000000812295 0.000001203429 -0.000001502217 0.000001410513 0.000000557039 -0.000003601800 0.000001024973 -0.000000808730 -0.000000736932 0.000000369183 -0.000000594760 -0.000002534574 0.000003022101 0.000001588452 -0.000000317397 -0.000001624073 0.000001163639 -0.000003604901 -0.000001442698 -0.000001680272 -0.000002179446 -0.000002729305 -0.000000096748 0.000000238204 0.000001329701 0.000000527975 -0.000003619420 0.000001277716 -0.000000357794 0.000001411227 0.000000905808 -0.000003988078 -0.000000843072 -0.000003859341 0.000003126177 0.000001877530 -0.000002111929 -0.000001337020 0.000000037701 -0.000000235234 -0.000003675367 -0.000001934464 0.000000323078 -0.000003216876 0.000002828105 -0.000011712245 0.000047548618 0.000028714005 0.000005357116 0.000009392643 -0.000012499703 0.000001556128 -0.000001543806 -0.000007699230 0.000002374519 -0.000060860170 -0.000002794267 -0.000011849368 0.000012144544 0.000010646228 0.000025039915 0.000001244145 -0.000006454319 -0.000002080306 -0.000024850640 0.000001811091 -0.000003381443 0.000031450650 0.000008156913 0.000003441815 -0.000012607258 -0.000002167714 -0.000002330255 0.000001898053 -0.000002554422 0.000003542087 0.000005058786 -0.000003807407 -0.000005472222 0.000009977657 0.000005768228 -0.000005407457 0.000002612478 -0.000001121182</array>
               <array cmlx:templateRef="hess" dataType="xsd:double" dictRef="cc:hessianmatrix" size="8778">0.536975219 0.036645990 0.547567757 0.020506327 -0.025055380 0.570005262 -0.053408587 -0.009898156 0.004256212 0.057625635 -0.008040863 -0.247285479 0.119255125 0.004761220 0.261201895 0.003319252 0.121171490 -0.125627484 -0.005416996 -0.124588807 -0.062970372 -0.013236302 -0.059234291 -0.000593866 0.000561388 -0.012247667 -0.057368731 -0.046513920 0.007426616 0.010151668 -0.057585982 -0.048321276 -0.285080601 -0.003905226 -0.006446265 -0.269643571 -0.087240344 -0.006991433 0.000502351 0.001048705 -0.089361188 -0.083410884 -0.002445255 -0.025072927 -0.005495373 -0.007643240 -0.002331207 -0.049735978 0.016523637 0.003190714 -0.141522829 0.056567888 0.031531124 0.001071061 0.000075378 0.058978691 -0.142600330 -0.032095527 0.019921399 -0.017211813 0.030608013 -0.030145917 -0.099761833 -0.012431950 0.009197382 0.000146289 0.019990884 -0.012693171 -0.002495857 0.002575579 -0.000611277 -0.018590864 0.011723594 0.003864105 -0.001244256 0.000084160 -0.013868593 0.007915203 0.002304474 -0.001523553 -0.018118589 -0.006924083 -0.000921884 0.000386476 -0.000380160 0.022890330 0.008981038 0.000696423 -0.000208787 0.000957627 0.012278262 0.004342661 -0.000020777 -0.000840017 0.000041808 0.005804833 0.005490755 0.022944191 0.000552909 -0.000303189 -0.006120386 -0.006510916 -0.024440176 0.000062391 -0.000366876 0.002072675 -0.008602815 -0.016916427 -0.000872734 0.000655955 0.001276725 0.000668861 0.000574867 -0.000051056 0.000019503 -0.000876465 0.000172620 0.000687177 -0.000038123 -0.000095796 -0.001221891 0.000699471 0.001610894 0.000093480 -0.000047357 -0.000089611 -0.000409352 -0.001151749 -0.000006686 -0.000007341 -0.001016530 0.000870359 -0.001811628 -0.000098099 0.000253374 -0.003188274 -0.000538076 -0.005731449 -0.000061711 0.000232619 -0.002044655 -0.001209620 0.000034507 0.000258280 0.001595670 -0.001156096 -0.000230467 0.000004883 0.000850750 0.002780886 0.000839433 0.000287729 -0.000149512 -0.000107608 -0.002383154 -0.000058556 0.000034153 -0.000036551 -0.000104530 -0.000114064 0.000004731 -0.000001424 -0.000018177 -0.000050396 -0.000030258 -0.000015289 -0.000048808 0.000041411 0.000067690 0.000140403 0.000013783 -0.000000503 0.000014866 -0.000003254 0.000029796 -0.000018265 -0.000003590 -0.000001294 0.000004551 0.000030563 -0.000003525 0.000001763 0.000000493 0.000015998 -0.000001410 0.000013896 0.000004650 -0.000001135 0.000007606 0.000008615 0.000033074 -0.000001462 0.000016251 0.000013728 0.000004594 -0.000024266 -0.000008347 0.000005243 0.000002386 0.000023744 0.000017380 0.000012564 0.000002227 0.000000166 -0.000006235 -0.000000791 0.000006176 0.000000144 0.000016201 0.000002273 -0.000009868 -0.000002597 -0.000001731 -0.000004980 0.000002581 -0.000011356 0.000001158 -0.000008110 -0.000005597 -0.000003674 0.000006184 0.000002228 0.000001370 -0.000004074 -0.000010823 0.000009021 -0.000009002 -0.000000985 0.000002513 0.000001316 0.000010401 -0.000006706 0.000006477 0.000019043 0.000026680 0.000004719 -0.000004320 0.000003548 0.000004854 0.000011944 -0.000016652 0.000007165 -0.000003227 -0.000029449 -0.000040438 0.000004328 -0.000008513 -0.000009607 0.000028138 0.000030811 -0.000005606 0.000000711 -0.000003555 -0.000010835 -0.000006569 0.000003025 0.000002303 0.000006934 -0.000006483 -0.000009275 -0.000000104 0.000001104 0.000002372 0.000001183 0.000001803 0.000007615 0.000000317 0.000003577 0.000006522 0.000004409 -0.000005627 0.000001583 -0.000001741 -0.000005542 -0.000005690 0.000005859 -0.000003437 0.000005888 0.000008453 0.000016061 -0.000001314 -0.000001859 -0.000002128 -0.000000346 0.000001608 0.000008268 -0.000006177 0.000001359 0.000020902 0.000031515 0.000003091 0.000003087 0.000002714 -0.000003504 -0.000002921 -0.000002501 -0.000008401 -0.000004300 0.000015851 0.000022381 0.000007117 -0.000002310 0.000004215 0.000005344 0.000009268 -0.000003910 0.000001701 0.000000079 -0.000006963 -0.000008109 0.000000099 0.000000998 0.000000404 -0.000003265 -0.000002955 -0.000008238 0.000005361 0.000000425 -0.000017710 -0.000020774 0.000000019 -0.000002365 -0.000002769 0.000004625 0.000006567 0.000004424 0.000003488 0.000004012 -0.000004493 -0.000008221 0.000002153 -0.000000964 0.000001166 0.000002064 0.000002316 -0.000001211 -0.000000378 -0.000001917 0.000000464 0.000000342 -0.000002041 0.000004310 0.000000806 -0.000009900 -0.000013764 -0.000001935 0.000001861 -0.000000690 -0.000004946 -0.000007756 0.000000913 0.000000269 0.000001237 0.000000130 -0.000000467 0.000003409 -0.000000158 0.000001928 0.000001700 0.000001628 -0.000000469 -0.000001612 -0.000000944 0.000003197 0.000004672 -0.000002786 0.000001122 0.000001039 -0.000005811 -0.000006230 0.000000462 -0.000002111 0.000000241 0.000004226 0.000005376 0.000001925 -0.000002383 0.000000711 0.000004267 0.000005941 0.000001474 -0.000001075 0.000000969 0.000002043 0.000003254 -0.000002472 0.000002107 -0.000001200 -0.000004392 -0.000005975 -0.000004972 0.000006133 -0.000002443 -0.000011372 -0.000015773 0.000623349 0.000387181 0.000121614 0.000017199 0.000160932 0.000114581 -0.000090304 0.000287002 -0.000358779 -0.000868228 0.000493478 0.000678265 0.000429728 0.000071295 0.000607350 0.000240727 0.000116874 0.000022761 0.000098956 0.000014004 0.000741313 0.000241566 -0.000132411 -0.000794252 -0.002543012 0.000022271 0.000102754 -0.000035520 -0.000264604 -0.000818819 -0.000007750 -0.000013161 0.000000487 -0.000013904 0.000040845 -0.000077508 -0.000048560 -0.000000975 0.000106700 0.000209584 -0.000051993 0.000021946 0.000015675 0.000007784 0.000185634 0.001298012 0.000200758 0.000537139 -0.000714360 -0.001898366 0.001769557 0.000235877 -0.001662157 -0.000999075 0.000007018 -0.000863109 -0.000088578 0.002276738 0.000557134 0.001382001 -0.000002304 0.000037124 -0.000082070 -0.000029636 -0.000032402 -0.000027364 0.000048494 0.000003493 0.000096055 0.000073121 0.000052869 0.000003694 0.000034460 -0.000063608 0.000023145 -0.000004697 -0.000006985 -0.000058193 0.000025201 0.000040797 -0.000009209 -0.000034387 -0.000071006 0.000010767 0.000012178 -0.000023183 -0.000027031 -0.000074115 0.000074397 0.000079730 -0.000044661 0.000001967 0.000006047 0.000068170 0.000008394 0.000010330 -0.000006555 0.000025984 -0.000007066 -0.000033708 -0.000025013 -0.000001922 -0.000045512 0.000023468 0.000011626 0.000001663 0.000013630 -0.000034576 -0.000000715 0.000068354 0.000023292 0.000013732 0.000019298 -0.000016900 -0.000052423 0.000014244 0.000040477 0.000063990 -0.000017242 -0.000013262 0.000117721 0.000072581 -0.000040280 -0.000202327 0.000069050 -0.000040097 -0.000019787 0.000016193 -0.000294618 -0.000216934 -0.000165891 -0.000006703 -0.000157251 -0.000052118 -0.000171902 -0.000073895 -0.000361450 0.000257544 -0.000700778 -0.000658586 0.000028411 -0.000356669 -0.000056631 -0.000527117 -0.000060305 0.000315643 -0.000067014 0.000559290 -0.000674831 -0.000377426 -0.000103164 0.000031881 0.000004320 0.000138345 -0.000048671 -0.000091026 0.000022082 -0.000011056 0.000132924 -0.000053944 0.000034333 -0.000002598 -0.000043811 0.000018419 0.000017936 0.000023077 -0.000136592 0.000135680 0.000113473 0.000307625 0.000114596 0.000095551 0.000189351 -0.000115201 -0.000179063 -0.000153050 0.000035554 0.000000454 0.000135130 0.000051393 0.000015397 -0.000041947 0.000098948 -0.000099069 0.000117118 0.000073782 0.000062446 0.000009295 0.000183903 0.000058191 -0.000081571 -0.000036965 -0.000054483 0.000085159 -0.000057245 -0.000004755 -0.000004249 -0.000034188 0.000041062 0.000147187 0.000004447 0.000004666 -0.000081022 0.000152763 0.000007310 0.000039333 0.000005905 -0.000038048 -0.000066812 0.000018274 0.001184980 0.000945331 -0.000490464 -0.002388824 -0.005627120 -0.000083307 -0.000934633 0.000416878 -0.000756105 0.001674914 -0.001114091 -0.000093022 0.000053691 0.002267151 0.003589507 0.000436641 -0.001461402 0.000662778 -0.000405308 0.004695664 -0.001797228 -0.000706067 0.001086727 0.001628503 -0.001821276 0.001239747 0.001681263 0.000450597 -0.001252875 -0.001388960 -0.000098413 -0.000264897 0.000059972 0.000269666 0.000707054 0.000129167 -0.000118566 -0.000045908 0.000007174 0.000134511 0.000256581 0.000171924 0.000006619 -0.000433285 -0.000844089 0.130563157 0.001980031 0.063634477 0.024470784 0.010589473 0.057812708 -0.012813524 0.061948164 0.055570461 0.305575512 -0.000306016 -0.004832479 -0.001732164 0.000367933 0.293745613 -0.004969242 -0.004207975 -0.003087311 0.000813429 0.092699818 0.002125543 -0.028365544 -0.010974723 0.001377143 0.006114470 -0.001484731 0.005642256 -0.006784667 -0.004201057 -0.020538024 -0.013130584 0.003878043 -0.005148390 0.000053448 -0.008835518 0.009243468 0.023047000 -0.022588501 -0.010099622 -0.000471734 0.002443732 0.000735421 -0.000966686 0.000011877 0.000709343 -0.002959912 -0.000539168 0.000453678 -0.000504822 0.000395437 -0.000976712 -0.000610019 0.000265823 0.000824554 -0.000519883 -0.000194824 0.000732208 -0.000092306 0.000441853 -0.001603439 0.000524679 -0.000752991 0.000830606 0.000209975 0.004109852 0.000432198 -0.000023459 0.000643659 0.000132113 0.001553261 -0.000432577 -0.003276806 0.004432448 0.002740561 0.000483027 -0.001513991 0.003332100 -0.003962371 -0.002081542 -0.000875424 0.001169814 0.000357599 0.000056102 0.000776018 -0.001591483 0.000031835 0.000241647 0.000064905 -0.000018631 0.000535037 0.000098268 0.000262333 0.000157489 0.000146641 0.000501283 -0.000072790 0.000180428 0.000398734 0.000209420 0.001016997 -0.000106312 0.000428846 -0.000201335 -0.000309249 0.000308401 0.000375792 0.000493731 -0.000303226 -0.000168681 0.000213904 -0.000039381 0.001117240 -0.001461527 -0.000972990 -0.000069900 0.001384980 0.000260799 0.000073641 -0.001273686 -0.000350524 -0.000828317 0.000354962 -0.000429302 -0.001039011 0.000389143 0.000029029 -0.000328656 0.000195105 0.000961184 -0.000460630 0.000226047 0.000011972 -0.000004242 -0.000105910 0.000062864 0.000127043 -0.000004612 0.000009650 -0.000050926 0.000039890 -0.000138721 0.000020922 -0.000012525 0.000001502 -0.000030796 -0.000083818 -0.000000802 -0.000010777 0.000038759 0.000011228 0.000010181 0.000006187 -0.000006108 -0.000025030 0.000009418 0.000002347 -0.000001141 0.000005275 -0.000002321 -0.000004678 -0.000025264 -0.000000246 0.000001533 0.000007453 -0.000003971 -0.000070612 -0.000004057 0.000002534 0.000044719 -0.000021349 0.000026041 0.000003404 -0.000005710 -0.000028683 0.000012512 -0.000034289 -0.000006966 -0.000001345 0.000026509 -0.000004253 -0.000041018 0.000004819 -0.000008868 0.000000661 0.000000017 0.000031868 0.000000034 0.000001423 -0.000011394 0.000005897 0.000016668 0.000002309 -0.000004042 -0.000014033 0.000006493 -0.000000436 -0.000003100 0.000002173 0.000007592 -0.000003647 -0.000017411 -0.000001926 0.000003235 0.000018661 -0.000014167 -0.000052041 0.000002096 0.000001754 0.000027876 -0.000012912 -0.000007531 -0.000000550 0.000002971 0.000007528 -0.000004035 0.000067168 -0.000000465 -0.000001329 -0.000032910 0.000022264 -0.000020836 -0.000000162 0.000002112 0.000001498 -0.000023502 0.000021568 -0.000002396 -0.000001786 -0.000011494 0.000008516 -0.000005410 -0.000000475 0.000000780 0.000010591 0.000002775 -0.000002359 0.000000231 -0.000000443 -0.000000735 0.000001755 -0.000012632 -0.000001457 0.000003273 0.000011681 -0.000008485 0.000012018 0.000000734 -0.000002120 -0.000009213 0.000008080 -0.000025433 0.000000379 0.000001349 0.000013388 -0.000005200 -0.000008263 0.000002032 -0.000002010 0.000001609 -0.000000319 -0.000038534 0.000001010 -0.000000057 0.000013783 -0.000017069 -0.000001052 -0.000001422 -0.000000453 0.000001331 0.000001663 -0.000027125 0.000004747 -0.000003097 0.000003225 -0.000009145 -0.000013671 -0.000000753 0.000002710 0.000011341 -0.000006890 0.000008729 0.000000013 -0.000001069 -0.000003582 0.000008038 0.000004285 -0.000000694 -0.000000077 -0.000001616 0.000001774 0.000022597 -0.000000117 -0.000002452 -0.000009264 0.000017534 -0.000005006 0.000000689 -0.000000542 -0.000000142 -0.000004836 0.000004552 -0.000002290 0.000002879 0.000005663 0.000000753 -0.000002802 -0.000000418 0.000000875 0.000001812 -0.000002877 0.000001028 0.000000468 -0.000000445 -0.000001570 -0.000001068 0.000019329 -0.000001911 0.000000249 -0.000007491 0.000007656 0.000010607 -0.000000414 0.000000218 -0.000003518 0.000002873 -0.000000100 -0.000000271 0.000000580 0.000000825 -0.000000056 -0.000005901 -0.000000248 0.000001863 0.000007324 -0.000003157 -0.000003436 0.000000706 -0.000000484 -0.000000861 -0.000001947 0.000005835 0.000000229 -0.000000675 -0.000001861 0.000006722 -0.000006154 0.000000843 0.000000151 0.000001634 -0.000002687 -0.000008035 0.000000432 0.000000910 0.000004756 -0.000003762 -0.000005338 0.000000361 0.000000435 0.000003133 -0.000002006 0.000007820 -0.000000491 -0.000001356 -0.000005088 0.000004450 0.000021968 -0.000001692 -0.000002148 -0.000011733 0.000010052 -0.000857784 -0.000004858 -0.000113194 0.000462563 0.000283580 0.000562819 -0.000162388 0.000293585 0.000341901 -0.000159922 -0.000414525 0.000005813 -0.000136192 -0.000141073 0.000576493 -0.000350345 -0.000039797 0.000025086 0.000149392 0.000021068 0.000962222 -0.000253992 0.000316242 0.000607041 -0.000120837 0.000548419 -0.000039884 0.000027766 -0.000003423 0.000087339 0.000004526 0.000003176 -0.000009535 0.000004268 0.000013343 -0.000072060 0.000009076 -0.000016614 -0.000021300 -0.000028001 -0.000151117 0.000028119 -0.000046599 -0.000009343 0.000026922 0.000056247 0.000041214 -0.000160706 0.000950290 0.000229657 0.000781096 -0.000472839 0.001198823 0.000187569 -0.000078734 -0.000826775 -0.000155253 0.000342276 -0.000482782 0.000527695 0.000092884 0.000040781 0.000028031 -0.000012952 -0.000024783 0.000056213 -0.000025344 0.000063149 -0.000030125 0.000053659 -0.000176296 -0.000046697 -0.000063921 0.000141465 0.000042527 -0.000042034 -0.000008371 -0.000009036 0.000064762 0.000004942 0.000003691 -0.000011939 0.000009142 0.000041973 -0.000012371 -0.000046806 -0.000004983 0.000003265 0.000065464 -0.000024639 0.000098649 0.000022261 0.000055012 -0.000102583 -0.000036584 0.000011845 0.000036236 -0.000016563 -0.000034711 -0.000036542 0.000027058 -0.000004189 0.000014152 0.000001303 0.000001398 -0.000035160 -0.000047210 0.000014748 0.000070567 0.000067291 -0.000003903 0.000041799 -0.000021551 -0.000009601 -0.000030181 0.000018356 0.000020344 -0.000011894 -0.000064089 0.000010700 -0.000355925 -0.000103336 -0.000231594 0.000349337 0.000162290 -0.000124132 -0.000036422 -0.000044416 0.000037763 0.000095265 0.000431687 0.000063681 0.000105141 -0.000183999 -0.000044061 -0.000526567 0.000011117 -0.000075847 -0.000062218 -0.000115782 -0.000217421 -0.000165374 -0.000166208 0.000166685 -0.000011660 -0.000432808 0.000034431 0.000056580 -0.000144375 0.000043293 0.000106861 0.000037565 0.000045758 -0.000114447 -0.000048843 0.000065282 0.000058431 0.000030353 -0.000080409 -0.000075619 -0.000056252 -0.000031006 -0.000011671 0.000080039 0.000012878 -0.000110478 0.000000666 0.000014176 -0.000048749 -0.000014389 -0.000004984 -0.000017884 0.000038385 -0.000059255 0.000049355 0.000015595 -0.000003019 -0.000016726 0.000024437 0.000033355 0.000040339 -0.000005538 -0.000001309 -0.000032714 0.000082429 -0.000045619 0.000026596 -0.000020774 -0.000069552 -0.000010503 0.000077246 0.000037069 -0.000001914 -0.000051518 -0.000064295 -0.000067644 0.000007626 0.000008991 0.000003228 -0.000017789 -0.000035502 0.000006961 -0.000007773 0.000026356 -0.000061509 -0.000150584 -0.000022445 -0.000057100 0.000130244 0.000025847 0.003781890 -0.000182335 0.000584769 -0.000498279 0.000031340 -0.000150732 0.000096186 -0.000131173 -0.000202487 0.000062697 -0.002255983 0.000302254 -0.000319014 -0.000445349 -0.000188233 -0.002787775 0.000216474 -0.000690965 0.000485586 0.000027200 -0.000662815 0.000148353 -0.000710543 0.000850587 -0.000276346 -0.001076700 -0.000217648 -0.000019662 0.000274610 0.000215634 -0.000268831 -0.000000443 -0.000030375 0.000122455 -0.000021663 0.000208734 -0.000009870 0.000076674 0.000025220 -0.000053091 0.000469571 -0.000054922 0.000084916 -0.000033368 0.000075761 0.084216718 0.005589928 0.046139440 0.022915757 0.011959835 0.572277380 0.008966721 0.005559864 0.033521538 0.568416129 0.000684319 -0.000279515 -0.000421535 -0.034800855 0.499071993 -0.000433528 -0.000722846 -0.050265944 -0.005233457 0.001684880 0.001098440 -0.000093341 -0.003990422 -0.224532009 0.114036422 0.000685296 0.000181439 0.000246817 0.111753093 -0.122322123 0.003149060 0.001918758 -0.277840533 -0.091213345 -0.010212618 -0.002598557 -0.002095857 -0.091699951 -0.088097381 -0.002710542 -0.002209429 -0.000253390 -0.006919337 -0.000233994 -0.047665679 0.000202368 0.001575010 -0.091835078 -0.009521124 -0.023495895 0.001413678 0.001178109 -0.007815134 -0.094031264 -0.038574156 0.000721212 0.001005753 -0.024260181 -0.043183476 -0.181240135 -0.000629404 -0.000502688 -0.006789055 -0.002133332 0.000011708 -0.000119304 -0.000293325 -0.009556399 -0.002930690 -0.002282086 0.000068991 -0.000113129 -0.030262440 -0.013826563 -0.003227585 -0.000026328 -0.000165129 0.005753670 -0.006222775 -0.004031088 -0.000012841 -0.000057506 0.006614506 -0.004624510 -0.003586766 0.000347596 0.000111199 0.022785150 -0.020936280 -0.010605046 0.000314316 0.000469487 0.002469899 0.006395422 -0.001465614 -0.000509020 0.000107439 0.000606350 0.002325184 -0.000642275 0.000160157 0.000088528 0.001871247 0.000701482 -0.001061034 0.000041527 -0.000015848 0.000103971 0.000063592 -0.000090890 0.000006453 -0.000012562 0.000006408 -0.000204784 -0.000048307 -0.000025587 0.000001901 -0.000020509 -0.000204337 0.000178861 0.000005552 -0.000004488 -0.000045237 -0.000055888 0.000054802 -0.000006941 -0.000002146 -0.000007130 -0.000011100 0.000013291 -0.000005098 0.000002313 0.000014087 0.000041255 -0.000018962 -0.000009518 -0.000001648 -0.000011815 -0.000064288 0.000016769 -0.000007820 0.000001295 -0.000018074 -0.000055088 0.000036367 -0.000000724 0.000001950 -0.000000850 0.000050906 -0.000009104 0.000001613 0.000002496 -0.000015050 0.000020764 0.000001158 -0.000003456 -0.000001256 0.000018488 -0.000004795 0.000006114 0.000001773 -0.000000597 -0.000017117 0.000001255 -0.000013283 0.000003857 0.000000411 0.000003637 -0.000007463 0.000002015 0.000002176 0.000001416 0.000007516 0.000020038 -0.000006151 0.000000650 0.000001910 0.000014743 0.000007848 0.000000700 -0.000008635 -0.000000975 -0.000008112 -0.000011471 0.000019316 -0.000003243 -0.000000415 -0.000004265 0.000002690 0.000004048 0.000015308 -0.000002472 0.000010433 0.000015502 -0.000030080 -0.000016185 0.000007980 0.000004632 -0.000010312 0.000019352 0.000007193 0.000001643 -0.000003033 0.000016399 -0.000011045 0.000004529 -0.000002807 -0.000004573 0.000001365 -0.000001136 -0.000001092 -0.000000715 -0.000000969 -0.000001030 -0.000000453 -0.000005471 0.000000765 -0.000003380 0.000001232 0.000002101 0.000003878 -0.000000870 0.000001258 -0.000000816 -0.000003899 -0.000004579 -0.000000779 -0.000007662 -0.000001512 0.000008479 0.000001630 -0.000000600 0.000000460 -0.000014719 0.000013178 -0.000012295 0.000003195 -0.000007602 -0.000023581 0.000025198 0.000001147 -0.000000255 -0.000006858 -0.000000192 -0.000000810 -0.000006088 0.000000772 0.000009303 -0.000025602 0.000022340 -0.000003724 -0.000000158 -0.000007083 0.000002579 0.000002833 0.000004715 -0.000001186 0.000001695 0.000003672 -0.000004422 0.000001677 -0.000000016 -0.000003149 0.000002925 -0.000002365 0.000010945 -0.000002832 0.000003406 0.000010402 -0.000012548 -0.000002111 0.000001330 0.000000403 -0.000006298 0.000005841 0.000000763 -0.000000729 -0.000005065 0.000011747 -0.000008623 -0.000001390 0.000000304 -0.000002219 0.000001722 0.000000816 -0.000000174 0.000000424 0.000002595 -0.000001478 0.000000593 0.000004690 -0.000000463 -0.000001454 0.000011544 -0.000011967 0.000002381 -0.000000300 0.000002250 0.000005796 -0.000006117 -0.000000362 -0.000000274 -0.000000704 0.000002122 -0.000001365 -0.000001596 -0.000000468 -0.000002154 0.000002461 -0.000000238 -0.000001435 0.000000396 0.000001118 -0.000003769 0.000003451 0.000003932 -0.000001514 0.000000904 0.000003376 -0.000003746 -0.000001994 -0.000000064 0.000001238 -0.000002634 0.000003372 -0.000002109 0.000000012 -0.000000785 -0.000001654 0.000003631 -0.000001106 -0.000000315 -0.000000944 -0.000001362 0.000001996 0.000002580 0.000000227 0.000001002 0.000000081 -0.000002384 0.000005768 0.000000502 0.000001050 0.000004250 -0.000009045 -0.000154916 -0.000220737 -0.000576304 -0.001932131 0.000124200 0.000258740 0.000062675 -0.000617177 0.001106994 -0.001049131 -0.000336680 -0.000247322 -0.001837894 -0.000095355 -0.001875536 -0.000082599 -0.000034623 -0.000240057 -0.000807836 0.000187682 0.000423786 -0.000083124 0.000012770 -0.001642134 0.000591335 0.000177217 -0.000028055 0.000046807 -0.000600214 0.000014156 0.000002509 -0.000004034 -0.000014983 -0.000064412 0.000050947 -0.000029164 0.000025570 -0.000000946 0.000312294 -0.000121588 -0.000018932 -0.000004173 -0.000067796 0.000140905 -0.000083957 0.000158656 -0.000616681 0.002665367 0.003737481 -0.003604778 -0.000020922 -0.000242131 0.001250012 -0.000460106 0.011495613 0.000209227 -0.000096859 0.000453003 0.040234737 -0.029596555 -0.000025252 0.000019402 0.000072812 0.000054264 -0.000070175 -0.000098984 -0.000009687 -0.000255977 -0.000037645 0.000141218 0.000092035 0.000022646 0.000018166 -0.000054328 0.000027457 0.000002759 0.000024195 0.000013586 -0.000020832 0.000034686 0.000013921 0.000026242 0.000099557 0.000024487 0.000003414 -0.000019122 0.000027052 0.000068514 0.000006484 0.000037585 -0.000082727 -0.000018545 -0.000017701 0.000041633 -0.000003502 0.000005273 -0.000012364 0.000113394 0.000029887 -0.000078493 -0.000014775 0.000011006 -0.000000991 0.000002758 0.000010046 0.000009198 0.000020559 -0.000263785 -0.000087830 0.000133056 0.000010141 -0.000003574 0.000061558 0.000000436 -0.000054639 -0.000019543 -0.000029185 -0.000146615 -0.000005577 -0.000030084 0.000321334 0.000088735 0.000130852 -0.000190147 -0.000018932 0.000066455 0.000000296 -0.000099982 0.000037639 0.000052439 -0.000177360 -0.000050614 -0.000145481 0.000105812 -0.000066648 -0.000001573 -0.000068397 0.000225181 0.000163388 -0.000045650 0.000154480 0.000021277 -0.000111912 -0.000110733 0.000026675 0.000224102 -0.000097407 0.000010622 -0.000091170 -0.000107347 -0.000117156 -0.000026124 -0.000019708 0.000067040 0.000011118 -0.000093830 -0.000015568 0.000116978 0.000071152 -0.000014862 0.000033152 0.000028237 0.000041885 -0.000028214 0.000033739 0.000032354 -0.000034623 0.000078251 -0.000116824 0.000202622 0.000054319 -0.000090241 -0.000216839 -0.000019897 -0.000236416 -0.000083601 0.000012592 -0.000317446 -0.000064968 0.000001121 0.000049843 -0.000059524 -0.000415285 -0.000030572 -0.000074809 -0.000058197 -0.000017062 -0.000202658 -0.000140212 0.000058278 -0.000023057 0.000025030 0.000381084 0.000054638 0.000037586 -0.000050707 0.000008399 -0.000024228 0.000015779 0.000021188 -0.000028923 0.000036283 0.000277362 0.000029038 0.000042661 0.000063414 0.000033751 0.000021889 -0.000038655 0.000026708 0.000800622 -0.000373382 0.001294883 -0.000704039 -0.000627925 -0.000055026 -0.000017249 -0.000292270 0.000201107 0.000087157 -0.000896656 0.000275929 -0.000078329 0.001451023 -0.000014083 -0.000340814 0.000106204 -0.001113610 0.000446758 0.000694158 -0.001039360 0.000559599 -0.000536571 0.000409040 0.000330594 0.001146664 -0.000455811 0.000683471 -0.000613760 -0.000553959 -0.000090080 0.000042782 -0.000238556 -0.000039491 0.000136309 -0.000015526 -0.000008437 -0.000048856 -0.000093388 0.000128988 0.000204044 -0.000076296 0.000036612 -0.000173448 -0.000024436 0.048732435 0.000048533 0.244519128 -0.002322684 -0.122541310 0.132638314 0.002817850 0.001122152 0.000173083 0.299298151 -0.023427234 -0.009015403 -0.002497964 0.097197168 0.092676115 0.016448596 0.005866078 0.000834379 0.008804786 0.006373058 -0.001184220 -0.000181666 0.002871537 -0.007016175 -0.008527150 0.006430731 0.005201182 0.029659224 -0.003767684 -0.004514280 -0.003546286 -0.005588423 -0.011767896 -0.000226536 0.000113270 0.000041715 0.000280146 -0.000766440 0.000872606 0.000087137 0.000298753 0.000413325 -0.000181441 -0.000262497 0.000680890 0.000453654 0.000608453 0.001009852 -0.001213562 -0.002072931 0.000176169 0.000107941 0.000914757 0.000608591 -0.000418880 -0.000145051 0.000616858 -0.000338241 0.000243874 -0.000257213 0.000312463 0.000710259 0.000576368 -0.000073101 0.000013984 -0.001445020 -0.000152584 -0.003716910 -0.001147123 -0.001883858 0.000500709 0.000123323 -0.002020650 0.000116757 0.000702568 -0.000971551 -0.000525075 0.001288902 -0.000623675 0.000399866 0.000028440 0.000095247 -0.000144031 0.000003629 -0.000026928 0.000047753 0.000081703 0.000023046 -0.000007962 0.000046794 -0.000005586 -0.000043202 0.000099224 -0.000055507 -0.000004320 0.000009670 -0.000011181 0.000041787 0.000019608 0.000004052 0.000005105 -0.000000439 -0.000013416 0.000000322 -0.000008667 -0.000006167 -0.000004232 -0.000014434 -0.000003115 0.000017746 0.000007000 -0.000007003 0.000042136 -0.000002945 0.000013841 -0.000008178 -0.000019447 0.000064550 -0.000006578 0.000005517 0.000005137 0.000010402 -0.000054628 0.000004904 -0.000003935 -0.000003761 -0.000010224 0.000014173 0.000010614 -0.000000138 0.000001135 -0.000011199 0.000011128 0.000019887 0.000016705 0.000007087 0.000015442 -0.000020049 0.000000196 -0.000002189 0.000003812 0.000010200 -0.000014805 0.000002914 -0.000004144 -0.000003049 0.000004201 -0.000004636 -0.000005009 -0.000011486 -0.000010408 -0.000014914 0.000020646 -0.000015215 -0.000012586 -0.000005326 -0.000029805 0.000037283 -0.000001330 0.000012159 -0.000001358 -0.000007446 0.000007133 -0.000004894 0.000002148 0.000007306 0.000038239 -0.000046732 0.000006377 -0.000013058 -0.000007169 -0.000019547 0.000017346 -0.000017937 0.000001838 0.000003594 0.000014413 -0.000023843 0.000001816 -0.000010074 0.000000128 0.000000005 0.000006989 0.000004992 -0.000002045 0.000000762 0.000000086 0.000000145 0.000002503 0.000003367 -0.000002600 -0.000005237 0.000009543 -0.000002914 0.000001919 0.000002673 0.000006776 -0.000009726 0.000004320 0.000000068 -0.000002251 -0.000013093 0.000015363 -0.000000237 0.000006798 -0.000001116 -0.000005591 0.000008868 -0.000001731 -0.000000207 -0.000002513 -0.000021764 0.000028221 -0.000007932 0.000007007 0.000001963 0.000004121 -0.000002590 0.000002924 -0.000000786 -0.000003407 -0.000020159 0.000024860 -0.000008140 0.000006010 -0.000001459 -0.000008634 0.000010651 -0.000001603 0.000001973 0.000000715 0.000005985 -0.000007836 0.000004359 -0.000000441 0.000001163 0.000003213 -0.000004135 0.000001129 -0.000001893 0.000003214 0.000016787 -0.000021048 0.000010218 -0.000003198 -0.000000403 -0.000004288 0.000004857 -0.000004207 -0.000001452 0.000000252 0.000005313 -0.000004800 0.000003107 -0.000001046 -0.000000633 -0.000002935 0.000003695 -0.000001728 -0.000000163 0.000000277 0.000000508 -0.000000716 -0.000001168 -0.000001442 0.000002342 0.000012687 -0.000016165 0.000004522 -0.000003514 0.000001092 0.000006514 -0.000008020 0.000001380 -0.000002882 -0.000000262 -0.000000269 0.000000329 0.000000415 0.000000835 -0.000000814 -0.000002777 0.000004129 -0.000000081 0.000000992 -0.000000388 -0.000003299 0.000003299 -0.000001893 0.000000833 0.000000580 0.000003944 -0.000005163 0.000003926 0.000000372 -0.000001170 -0.000005555 0.000006219 -0.000001758 0.000002154 -0.000001458 -0.000006478 0.000007563 -0.000001832 0.000001636 -0.000000435 -0.000003515 0.000004520 -0.000000766 0.000001188 0.000001054 0.000006056 -0.000006806 0.000001805 -0.000001732 0.000003209 0.000017169 -0.000020125 0.000004748 -0.000004965 0.000342212 -0.000061670 0.001018528 -0.000340820 0.000885606 -0.000159997 0.000154143 -0.000192242 -0.000044349 -0.000906141 0.001120310 0.000405493 -0.000249863 0.002345414 0.001251637 0.000163762 0.000051270 0.000437823 0.000109956 0.000273735 -0.000316823 0.000108464 0.001387083 -0.000001213 -0.000339023 -0.000058897 0.000178755 0.000154298 0.000046917 -0.000162459 0.000017103 0.000003847 0.000016380 0.000015552 0.000007235 -0.000006305 -0.000045158 -0.000141295 -0.000008800 -0.000029659 0.000038184 -0.000023256 -0.000102844 0.000048650 0.000022935 0.001300719 -0.000307848 -0.000051417 0.001023923 0.001822366 0.000288181 0.001225624 -0.000135036 0.000924858 0.000990264 -0.002027774 -0.001505309 -0.009863030 -0.000279212 -0.000409442 0.000023553 0.000014576 -0.000020332 -0.000061917 -0.000062191 0.000028269 -0.000032447 0.000009908 -0.000004295 -0.000042043 -0.000012922 0.000020924 0.000035109 0.000065915 -0.000005384 -0.000008680 -0.000013708 0.000013305 0.000001637 0.000018232 -0.000025421 -0.000026471 -0.000000300 0.000017179 0.000034100 -0.000026132 -0.000058737 0.000030100 -0.000020841 0.000042277 -0.000000544 -0.000048122 -0.000001565 -0.000036346 0.000039742 -0.000011251 0.000001655 -0.000000928 -0.000047839 0.000033619 -0.000000001 -0.000009945 -0.000007352 0.000005270 0.000014945 0.000031302 0.000026832 0.000000964 0.000235978 0.000004694 -0.000013767 0.000011966 -0.000003826 0.000031889 0.000062603 0.000049270 0.000049076 -0.000010738 0.000035233 -0.000051999 0.000013115 0.000131813 0.000071827 0.000100810 -0.000143837 0.000029813 0.000087703 0.000023420 0.000177839 -0.000059295 0.000072682 0.000015240 -0.000062756 0.000009810 -0.000025583 -0.000062700 0.000007626 0.000008178 -0.000135130 0.000100837 0.000039051 0.000082132 0.000022303 0.000155025 -0.000019763 0.000000123 0.000117462 0.000026377 0.000081273 -0.000064164 -0.000014155 -0.000051826 -0.000005554 -0.000052556 0.000075774 -0.000033662 -0.000049901 0.000008865 -0.000090962 0.000087179 -0.000032078 -0.000020349 0.000023313 0.000000951 0.000025453 -0.000103850 -0.000132463 0.000008543 -0.000160344 0.000041189 0.000138021 0.000148402 0.000007176 0.000006310 -0.000363955 0.000098080 -0.000004991 0.000079728 0.000099452 -0.000080168 0.000166272 0.000143341 -0.000016576 0.000171053 -0.000390564 -0.000001529 -0.000057095 0.000007529 -0.000347620 -0.000131946 -0.000090730 -0.000060765 -0.000040704 -0.000002320 0.000411967 0.000010801 -0.000044146 0.000012821 -0.000023740 -0.000013348 -0.000117064 -0.000108450 0.000007960 -0.000157710 0.000154435 -0.000013944 0.000014384 0.000019925 0.000021668 -0.000034247 -0.000600698 0.000710862 0.000555934 -0.000242202 0.000101292 0.000237468 -0.000025169 -0.000515177 0.000233349 0.000045996 0.000249922 -0.000555747 -0.001038784 -0.000332764 0.000361672 0.000646183 -0.000728991 -0.000721678 0.000323755 -0.000075890 0.000298585 -0.000534047 -0.000088516 -0.000019804 0.000089539 -0.000391429 0.000550851 0.000690224 0.000013637 -0.000143472 0.000073813 -0.000065752 0.000011127 0.000058066 -0.000059623 -0.000053511 -0.000034491 0.000125715 -0.000006311 0.000004462 -0.000074567 0.000149115 0.000129190 0.000040357 -0.000087853 0.052795761 -0.031873849 0.641034282 -0.015174601 -0.000785386 0.549519569 -0.002569261 -0.029222295 0.021762271 0.486856124 -0.001737359 -0.265717870 -0.090706451 -0.015645183 0.280044734 -0.001981829 -0.083381129 -0.086037451 -0.011602118 0.102819393 -0.006282396 -0.020113842 -0.013117470 -0.050259289 0.017752245 0.000033634 -0.175644620 0.117315682 0.061817825 -0.015583918 0.000200900 0.107674971 -0.150350809 -0.056077517 -0.008693996 0.000985050 0.061553477 -0.059514823 -0.082615248 -0.002920070 -0.003871368 0.008753646 -0.037978457 0.023145458 0.000256481 0.002047946 -0.037758119 -0.030414765 0.022889643 0.002120565 -0.001965481 0.025355337 0.022769933 -0.021527781 -0.002516336 0.000150975 0.000421360 -0.000629501 0.000601724 0.000179424 0.000134303 -0.001336326 -0.000489196 0.001197253 0.000058466 -0.000031496 0.000639029 0.000450389 0.001625485 -0.000019231 0.000010170 0.000080021 0.000289483 -0.000062243 0.000011036 0.000049866 0.000041978 -0.000105520 0.000260991 0.000038330 -0.000012181 -0.000088822 -0.000085052 -0.000089695 0.000002888 0.000013396 -0.000342324 0.000137688 0.000058566 -0.000018620 -0.000039524 -0.000120596 0.000349018 -0.000183110 -0.000059274 0.000031537 0.000199001 -0.000230900 0.000135024 0.000062351 -0.000021638 0.000072331 0.000126460 -0.000434180 -0.000031950 0.000007083 -0.000148409 0.000242076 -0.000266007 -0.000018430 0.000005181 -0.000081096 -0.000261252 0.000227131 0.000017788 0.000006850 -0.000018573 -0.000061221 0.000097584 0.000012306 -0.000003863 0.000057596 -0.000033666 -0.000045382 -0.000003324 -0.000034278 0.000079984 0.000149417 -0.000140645 -0.000042906 -0.000026574 0.000005807 0.000255772 -0.000220974 -0.000030243 -0.000004297 0.000042822 0.000029980 0.000009436 -0.000003068 0.000041251 -0.000012651 -0.000329417 0.000315681 0.000057002 -0.000038399 0.000011611 0.000141163 -0.000054284 -0.000052790 0.000006040 0.000015657 -0.000155574 0.000090368 0.000013977 0.000001321 -0.000001182 0.000014734 -0.000069452 0.000004343 0.000007226 -0.000014051 0.000004007 -0.000001610 0.000008948 -0.000007880 0.000027216 0.000036923 -0.000056213 -0.000007229 0.000012650 -0.000030331 -0.000053992 0.000061412 0.000013645 -0.000006979 0.000016603 0.000088996 -0.000071824 -0.000006992 -0.000009345 0.000003309 0.000087557 -0.000016416 -0.000014352 -0.000027863 0.000037618 0.000228468 -0.000104518 -0.000038657 0.000004884 0.000019148 -0.000015420 0.000004815 0.000005642 -0.000023350 -0.000020500 0.000226470 -0.000082910 -0.000032961 -0.000007470 0.000028774 0.000045676 -0.000058895 -0.000010437 0.000009032 -0.000019725 -0.000052763 0.000034936 0.000016451 0.000002903 0.000009477 -0.000032234 0.000017384 0.000002100 0.000023703 -0.000035529 -0.000140762 0.000088921 0.000038437 -0.000009523 0.000011573 0.000047255 -0.000013661 -0.000017304 0.000006870 0.000018408 -0.000070746 -0.000002087 0.000012157 -0.000003501 0.000015058 0.000017362 -0.000020790 -0.000006615 -0.000001446 -0.000001542 0.000002803 0.000004765 -0.000003611 0.000015179 -0.000002389 -0.000125336 0.000067764 0.000020935 0.000006502 -0.000004471 -0.000062043 0.000033811 0.000008469 0.000001221 0.000000568 -0.000005135 -0.000004274 0.000002295 -0.000002672 0.000010891 0.000010124 -0.000029773 -0.000001659 -0.000003791 -0.000002113 0.000032408 -0.000008092 -0.000006626 0.000008042 -0.000015461 -0.000037640 0.000024495 0.000014696 -0.000004686 -0.000003496 0.000044826 -0.000025368 -0.000006482 -0.000006773 0.000005695 0.000046155 -0.000034542 -0.000008625 -0.000002958 0.000004710 0.000028436 -0.000020463 -0.000004057 0.000005499 -0.000007793 -0.000037555 0.000033045 0.000007479 0.000016181 -0.000012312 -0.000126004 0.000092524 0.000021746 0.002652378 -0.002977764 0.013461658 -0.010741817 0.000338982 -0.000876206 0.000080508 -0.008039829 0.000067889 -0.002228805 0.001037212 -0.001821341 0.000258715 -0.002171119 0.001489553 0.000452221 -0.005174146 0.000901025 -0.001093720 -0.000170418 -0.001013504 0.001323568 0.009371222 -0.006672592 -0.001066170 -0.000069609 0.001219992 0.001618443 0.001508509 0.000029251 0.000021077 0.000214737 0.000454475 0.000060077 0.000036665 -0.000092976 -0.000239349 -0.000572130 -0.000231177 -0.000017828 0.000077940 0.000054153 -0.000722647 -0.000311144 0.000068456 0.002666837 -0.104113524 0.006092151 -0.000276670 0.004496345 0.001268654 0.022816120 -0.179473501 0.082221226 -0.000811004 0.002446288 -0.011645800 0.079568868 -0.125490387 0.003792856 0.000080967 -0.000059355 -0.000165197 0.000193533 0.000007816 -0.000154727 0.000092566 0.000182790 -0.000239417 0.000032537 -0.000102478 0.000034194 0.000211315 -0.000232323 -0.000009030 -0.000031463 0.000007256 0.000116425 -0.000100124 -0.000007916 -0.000009582 -0.000013331 -0.000004965 0.000012088 -0.000012427 -0.000048976 0.000025778 0.000215057 -0.000154434 -0.000038203 0.000019785 0.000011976 0.000002359 0.000066978 -0.000012783 0.000089813 -0.000055837 -0.000059631 0.000137020 -0.000015417 0.000002169 -0.000005747 -0.000024282 0.000014465 0.000006680 -0.000139853 0.000120305 0.000110305 -0.000233218 0.000025273 0.000052934 -0.000007936 -0.000067752 0.000106850 -0.000013431 0.000048107 0.000012290 -0.000057595 0.000047141 0.000020192 -0.000096855 0.000003731 0.000397929 -0.000486885 -0.000022066 -0.000068665 -0.000004804 0.000057456 -0.000178371 0.000020643 0.000185814 -0.000064162 -0.000424990 0.000376794 0.000041809 0.000118518 -0.000095996 -0.000108063 0.000192622 -0.000009431 -0.000043240 0.000028074 0.000109261 -0.000188430 0.000014939 -0.000036830 0.000000282 -0.000048237 -0.000105240 0.000011382 0.000022276 0.000001992 -0.000021215 0.000075695 -0.000003349 0.000027621 -0.000001944 0.000055073 0.000064075 -0.000040977 -0.000101177 0.000034406 0.000162619 -0.000137206 -0.000019713 -0.000151248 -0.000001414 -0.000042440 0.000119898 0.000025395 0.000264937 0.000069915 -0.000106117 -0.000233781 -0.000011942 0.000074264 -0.000037048 0.000410962 -0.000510863 -0.000018491 0.000370281 -0.000027723 -0.000258929 -0.000124770 0.000044054 0.000501591 -0.000073969 -0.000095267 0.000132107 0.000066380 -0.000145798 -0.000141834 -0.000210609 0.000430189 0.000027757 -0.000008705 0.000028672 0.000130957 -0.000064041 -0.000017630 -0.000090085 0.000038507 0.000122431 0.000147015 -0.000036040 -0.000043381 0.000013903 0.000102986 -0.000125625 -0.000002449 -0.000326228 0.000070452 0.001385032 -0.002036934 -0.000386733 0.000311693 -0.000278227 -0.002533750 0.002696138 0.000398858 0.000673249 -0.000500974 -0.004876492 0.005539926 0.000598179 0.000423806 -0.000254581 -0.002160718 0.002699799 0.000477536 -0.000080924 0.000112455 0.000237236 0.000742147 -0.000043809 -0.000358313 0.000139225 0.002591697 -0.002885940 -0.000304509 -0.000031225 0.000059398 0.000291882 -0.000222655 -0.000034016 -0.000135715 0.000183061 0.000894628 -0.000695864 -0.000139497 -0.000071969 0.000044379 0.000576226 -0.000757775 -0.000051238 0.102287313 0.000557161 0.061263652 0.016534501 0.009490239 0.184776808 0.011262752 0.004598607 -0.127399434 0.172187700 0.002583267 0.001875476 -0.063121945 0.054435408 0.091680178 0.007680867 -0.002113277 -0.002497079 0.011806870 -0.002719907 -0.003185762 0.002725419 -0.002701444 0.000357794 -0.000437118 -0.001132694 0.000605487 0.001479695 -0.001241901 0.001987153 0.000320886 -0.000231344 -0.000115038 0.000061792 -0.000056437 -0.000208154 0.000133877 -0.000063748 0.000079494 -0.000134112 0.000242116 -0.000187054 0.000016054 0.000111097 -0.000084979 -0.000027355 0.000011011 0.000002841 -0.000077411 0.000030904 0.000040929 -0.000038522 -0.000039207 -0.000038971 -0.000013989 -0.000025919 0.000010888 -0.000005717 0.000019594 -0.000005584 -0.000104542 0.000069097 0.000026508 -0.000046743 -0.000002986 -0.000082537 0.000072121 0.000037378 -0.000016794 0.000015614 0.000089018 -0.000082222 -0.000030898 0.000006198 -0.000017621 -0.000047138 0.000040685 0.000001091 -0.000057419 0.000052923 -0.000059446 0.000037719 0.000036355 -0.000096702 0.000044175 0.000012595 -0.000003684 -0.000019759 0.000042928 -0.000028054 0.000014668 -0.000011234 0.000006589 -0.000000831 0.000001053 0.000009163 -0.000002914 -0.000005419 0.000028326 -0.000003167 -0.000007650 0.000018408 0.000024926 0.000017521 0.000014790 -0.000035652 0.000026792 0.000028488 -0.000030020 0.000017481 0.000008299 -0.000003575 -0.000007406 0.000018920 -0.000013055 0.000063093 -0.000051139 -0.000044068 0.000045968 -0.000029803 -0.000038548 0.000034481 0.000035544 -0.000001524 0.000012329 0.000021610 -0.000011513 -0.000014613 0.000022554 -0.000009284 0.000001760 -0.000001089 -0.000000760 -0.000005064 0.000002000 0.000000693 -0.000004739 -0.000005863 -0.000006523 -0.000001324 -0.000007174 0.000003338 -0.000002263 0.000007607 -0.000001556 0.000005574 -0.000005354 -0.000006786 -0.000006961 0.000000486 -0.000008852 0.000004817 0.000002089 -0.000003222 -0.000003734 -0.000007780 0.000009396 0.000019138 -0.000014008 0.000009019 -0.000030066 0.000024181 0.000030794 -0.000021232 0.000010672 0.000003523 -0.000004363 -0.000009614 0.000002606 -0.000001692 -0.000023658 0.000019811 0.000046915 -0.000032333 0.000017997 -0.000007181 0.000005712 -0.000000504 0.000003103 -0.000000623 0.000009883 -0.000008023 -0.000009005 0.000001465 -0.000002619 0.000004300 -0.000002070 -0.000004885 0.000004757 -0.000003240 0.000025740 -0.000021375 -0.000023518 0.000005398 -0.000005670 -0.000007401 0.000009217 0.000015029 -0.000003994 0.000004692 0.000007263 -0.000007514 -0.000020769 0.000015466 -0.000007895 -0.000002459 0.000002591 0.000001520 0.000002466 -0.000001189 -0.000001021 0.000001425 0.000004766 -0.000001220 0.000002609 0.000015620 -0.000013460 -0.000022472 0.000013180 -0.000009498 0.000007761 -0.000006057 -0.000007934 0.000006822 -0.000002823 0.000000355 -0.000001318 -0.000003511 0.000001317 -0.000001647 -0.000002467 0.000001385 -0.000002687 0.000003338 -0.000000007 -0.000004407 0.000003799 0.000007514 -0.000005060 0.000002558 0.000008964 -0.000007727 -0.000008241 0.000001151 -0.000002960 -0.000005844 0.000004097 0.000007417 -0.000005508 0.000002280 -0.000006266 0.000005448 0.000006871 -0.000002521 0.000001888 -0.000002662 0.000002111 0.000003171 -0.000001337 0.000000739 0.000005658 -0.000004210 -0.000004375 0.000001403 -0.000001409 0.000016085 -0.000012875 -0.000018187 0.000008561 -0.000005424 -0.000892359 0.000564407 -0.001902181 -0.004072320 0.001482070 0.002636571 0.000184963 -0.003095924 0.003962940 0.000523800 -0.001307054 0.000200878 0.001605520 -0.001244762 -0.001352164 -0.001595607 0.001091576 -0.000133755 -0.001095728 0.000189706 -0.000949009 0.000813498 0.000941381 -0.000006774 0.000912254 0.000574783 -0.000257636 -0.000006916 0.000184942 -0.000205532 0.000032371 -0.000071270 0.000097464 -0.000048029 -0.000052399 0.000039894 -0.000017468 0.000121178 0.000212805 -0.000112645 0.000015761 -0.000017426 -0.000042008 -0.000365218 0.000116299 -0.031717070 0.024407860 0.003787710 0.015680466 -0.015284126 -0.024420664 0.018470297 0.005602891 -0.034120393 0.023784843 0.013482897 -0.005968458 -0.006239151 0.004861428 0.004499290 0.000011029 -0.000041884 -0.000012074 0.000006793 -0.000016942 0.000000995 0.000083409 0.000002271 -0.000027259 -0.000009615 -0.000017491 0.000043269 0.000017602 -0.000005630 0.000038072 -0.000011856 0.000015014 0.000010502 -0.000005639 0.000015139 -0.000001543 -0.000015351 0.000005275 0.000008255 0.000009009 -0.000027268 0.000015266 0.000029793 -0.000009662 0.000018236 -0.000002577 -0.000010401 0.000003648 -0.000014861 -0.000024243 -0.000005951 -0.000040303 -0.000002318 -0.000005441 -0.000011640 0.000004108 -0.000001941 -0.000004749 0.000001031 0.000000260 0.000012231 0.000076584 -0.000007829 0.000007960 0.000025398 -0.000000253 -0.000028719 -0.000004237 0.000009256 -0.000000709 0.000007810 0.000005842 -0.000015396 -0.000001862 -0.000010402 -0.000047328 0.000068540 0.000028331 -0.000006312 0.000118622 0.000012084 0.000036779 0.000013082 0.000025979 0.000019672 0.000038807 -0.000054900 -0.000049707 0.000010392 -0.000049952 0.000004958 -0.000059687 -0.000010167 0.000006169 -0.000012593 0.000001357 0.000044885 0.000002662 0.000006550 0.000038500 0.000006124 0.000024106 -0.000004412 0.000026753 0.000020220 0.000000503 -0.000010944 -0.000004399 -0.000009699 -0.000024402 -0.000019193 -0.000028035 0.000016089 -0.000006557 -0.000012632 -0.000015263 0.000021343 0.000025313 0.000003589 0.000008086 0.000026211 -0.000026772 -0.000017321 -0.000064033 -0.000037560 -0.000041897 0.000083129 -0.000000487 0.000137040 0.000035922 -0.000038547 0.000098029 0.000058327 -0.000069126 -0.000003389 0.000034174 0.000045223 -0.000018616 0.000042738 0.000018212 0.000004841 -0.000034660 -0.000040789 -0.000142702 -0.000034410 -0.000003761 -0.000127164 -0.000059749 -0.000104693 -0.000003767 -0.000012293 0.000011386 0.000016364 -0.000024405 -0.000001715 -0.000014537 -0.000046038 0.000013599 -0.000020729 -0.000016157 -0.000010703 0.000018112 0.000006420 0.000001616 0.000029145 -0.000497879 0.000224591 0.000138077 0.000388300 0.000400272 0.000490852 -0.000378420 -0.000264516 0.000117607 -0.000328488 0.000826284 -0.000804912 -0.000435352 0.000104119 -0.000804911 0.000615902 -0.000336148 -0.000211277 -0.000305867 -0.000462460 0.000061650 -0.000009067 0.000070838 -0.000110227 -0.000205579 -0.000429391 0.000385152 0.000283672 0.000047230 0.000480028 -0.000028729 0.000059006 0.000030109 -0.000018364 0.000004268 -0.000116364 0.000090623 0.000088411 -0.000031319 0.000080693 -0.000085906 0.000100669 0.000050567 0.000002570 0.000118547 0.717394704 -0.169037365 0.637935576 0.073939234 -0.262863534 0.404921784 0.006303985 -0.012148440 0.008264989 0.544588596 -0.021768935 -0.017482525 0.020025087 -0.010378500 0.546126380 0.013994452 0.001395902 -0.011174186 0.047422811 -0.045333677 -0.003126505 0.004293554 -0.001592692 -0.210679659 0.010651778 -0.002594491 0.000635053 -0.000898607 0.011629679 -0.049189958 0.000095049 0.000981998 0.000526315 -0.123076090 0.007524955 -0.005117772 -0.000854350 0.000431309 -0.053532059 0.032105617 -0.002186554 -0.000289214 -0.001298337 0.032803926 -0.269972171 0.001946047 0.001377595 0.000034764 -0.010305260 0.058564308 -0.001053320 0.003390045 -0.001152175 -0.082445406 0.014283511 -0.003621069 0.004363786 0.000838234 0.011586105 -0.111853676 0.001517266 -0.003900212 0.000879424 0.011340778 -0.050346507 -0.000721155 0.000555867 0.000646450 -0.001249711 0.007145012 0.001810408 -0.000958662 0.000425118 0.003048622 -0.017723225 0.003073155 -0.001804379 0.000560384 0.005106069 -0.027910956 -0.000644913 0.001695298 -0.000787087 -0.005702185 -0.003677367 0.001053923 -0.000833181 -0.000073087 0.015814055 0.006218060 0.000437301 -0.002352938 0.001071603 0.022681226 0.011840924 0.000421923 0.001072315 -0.000516160 0.008924819 -0.002818029 0.000707958 -0.001228705 0.000473605 -0.014906639 -0.000100253 -0.000201126 -0.000771915 -0.000092043 -0.020464466 -0.000616286 -0.000540544 0.000207445 -0.000128087 0.000567406 0.000317082 0.000084401 -0.000008394 -0.000149885 -0.000017144 0.000691468 -0.000436833 0.000206292 0.000091469 0.000108850 0.001946828 -0.000178752 0.000511230 -0.000189113 -0.000106589 0.000106650 0.000015214 0.000698056 -0.000114583 -0.000856705 0.000155787 -0.000333312 0.001301452 -0.000875680 0.000028207 -0.000645621 -0.000131595 0.000236127 -0.000004907 -0.005579931 0.000589259 -0.000127801 0.001075808 -0.000517057 0.000796542 -0.000361991 0.000107199 0.000104258 -0.000051124 -0.003402075 0.000730473 -0.000091670 -0.000141140 0.000105975 -0.000043062 0.000145855 0.000038217 -0.000129450 0.000066866 -0.001063812 0.000437454 -0.000229945 -0.000352549 0.000285503 -0.001958247 0.000216871 0.000173944 0.000108743 -0.000074595 0.000023942 -0.000002565 0.000104765 -0.000464071 0.000167629 -0.000036270 0.000304252 0.000126475 -0.000094006 -0.000007696 0.000197400 -0.000141349 0.000053302 0.000018103 0.000007963 -0.000660510 -0.000140339 0.000017136 -0.000572412 0.000270691 0.000152560 0.000464996 0.000113341 -0.000408613 0.000179361 0.000369852 0.000166850 -0.000020424 -0.000030992 0.000006884 0.000024011 -0.000007874 0.000053614 -0.000032983 -0.000008225 0.000072256 -0.000075890 -0.000016511 0.000157042 -0.000073034 -0.000049742 -0.000030087 -0.000106229 -0.000103666 0.000069492 0.000473577 0.000202967 -0.000036182 0.000175890 -0.000099578 -0.000107593 -0.000225619 0.000043203 0.000109561 -0.000088549 0.000093271 -0.000013298 0.000005866 0.000079058 -0.000049603 0.000294413 0.000124353 -0.000028661 -0.000094166 0.000073033 0.000002298 0.000010976 -0.000039708 -0.000401997 0.000246437 0.000002190 0.000166137 -0.445245871 0.195300650 -0.101585918 -0.006905692 -0.006354300 0.207582535 -0.226426989 0.078569386 0.003636769 0.000927825 -0.106765633 0.081622949 -0.128823733 -0.003392516 -0.004060579 -0.097979717 0.022335715 -0.011492726 -0.182521286 -0.031366203 0.004744678 -0.231345368 0.106160345 -0.035908033 -0.087259918 -0.008780136 0.149197642 -0.156725033 0.051409968 0.033914546 -0.003353516 -0.003217534 0.000610772 -0.014790618 0.005262072 0.029392610 -0.006303176 0.006560662 -0.010576168 0.001762461 -0.014427401 -0.008232037 -0.002348800 0.014725769 -0.006226654 -0.168790618 -0.005638953 0.013265801 0.002880800 0.002648566 -0.027746257 -0.109158438 0.037922859 0.004080577 -0.002163506 0.030223100 0.039987083 -0.088298225 -0.001840326 0.004016524 -0.000107244 -0.000618659 0.000366108 0.000112660 0.000010317 -0.000432269 0.001071698 -0.000642853 -0.000008474 0.000015043 0.000121139 0.000915613 -0.000470117 -0.000121872 0.000038283 -0.000014956 0.000477458 -0.000280520 -0.000081991 -0.000000833 0.000248605 -0.000279291 0.000176850 0.000025273 -0.000002720 0.000246058 0.000627007 -0.000374861 -0.000059874 -0.000026012 -0.000195565 0.000143235 -0.000037036 -0.000108988 -0.000037857 -0.000153716 -0.000057432 0.000085901 -0.000067015 -0.000010987 -0.000092051 -0.000020720 0.000009855 -0.000027835 0.000000506 0.000037596 0.000337459 -0.000301474 0.000028910 0.000016105 0.000208709 -0.000488501 0.000349714 0.000035992 -0.000009220 -0.000441708 0.000176168 -0.000111560 -0.000001809 0.000018209 -0.000488119 0.002753948 -0.002033143 -0.000706309 0.000185536 0.001052296 -0.000954619 -0.000381778 -0.000134676 0.000080556 -0.000701409 -0.000595597 0.000672515 -0.000059863 0.000121721 0.000005806 -0.000542367 0.000433271 -0.000052887 0.000007470 0.000016148 0.000550677 -0.000438351 0.000022474 -0.000021573 0.000635192 -0.000149068 0.000034044 0.000270723 0.000021611 -0.000137640 -0.000108372 0.000129546 0.000019866 0.000011093 0.000355754 -0.000179055 0.000194616 -0.000032775 -0.000066849 0.000827719 -0.000302800 0.000044423 -0.000022839 -0.000042570 -0.002129532 0.000487848 -0.003602716 0.000808187 -0.000198887 0.001719680 0.000597597 -0.001651653 0.000737265 -0.000799900 -0.000631639 0.000903252 -0.005550398 -0.000619439 -0.000275152 -0.000080010 -0.000924576 -0.003722524 0.000319488 -0.000144785 -0.006571296 0.002313142 -0.006859397 0.000414339 0.000282935 -0.008299705 0.002445304 -0.006601068 -0.000587092 0.000170187 -0.000335026 0.000839869 -0.000646954 -0.000803495 -0.000193340 -0.000020403 -0.000477292 0.000425305 -0.001001983 0.000070091 -0.000009782 0.000510572 -0.000532896 0.000385779 -0.000369837 0.008212590 0.015655753 -0.011784853 -0.002749664 0.002912399 0.002115364 -0.030100404 0.008221411 0.003576263 0.004291421 0.004436457 -0.046955630 0.034028639 0.006526095 -0.001002598 -0.005403148 -0.022791033 0.019632610 0.003130782 0.000958196 -0.002497402 -0.000565758 0.001564302 -0.000159459 -0.002387379 0.000470089 0.019516201 -0.016203275 -0.002356521 -0.002052833 -0.001130580 0.002334149 -0.002465378 -0.000314935 0.000711773 -0.001141885 0.007492367 -0.005806133 -0.000873774 -0.001422621 -0.000819245 0.004862141 -0.005440714 -0.000885842 -0.001741444 0.492056859 -0.125777811 0.232221071 0.010050832 -0.011818921 0.047774211 -0.137161333 0.129374467 -0.005171699 0.154907005 -0.010047496 -0.001591013 0.024138539 -0.004095072 0.055121405 0.057242741 -0.000008636 0.000660199 -0.000006831 -0.035210299 -0.062590104 -0.000296270 0.017491898 -0.003938865 0.004122954 0.018142452 0.004837715 -0.014898480 -0.021945495 -0.001103829 -0.045932189 0.000118516 0.000003239 0.001146103 0.006299304 -0.146293957 0.005496021 -0.013626377 -0.019318628 -0.001752701 -0.001208158 0.000229687 -0.000746975 -0.000042900 0.000490564 0.003383411 -0.000309520 0.000284405 -0.000009412 0.000708544 0.005275348 -0.000269716 0.000125710 0.000997663 0.001474108 0.001190314 0.000851409 0.000101425 0.000114538 -0.000174761 -0.008302332 -0.000221487 0.000600015 0.000809822 0.000119761 -0.010495483 -0.000184958 0.000713753 0.000296846 -0.000245106 -0.000657672 0.000647014 0.001934861 0.003090152 0.000199135 -0.013070641 0.000819649 -0.001917903 -0.003878064 -0.000865571 -0.023836745 0.001198015 -0.002414570 -0.003653485 -0.000005445 0.001150722 -0.000070728 -0.000109494 0.000307598 0.000205259 -0.000624949 -0.000051351 0.000280139 0.000110049 -0.000057075 0.001245766 0.000015620 -0.000277771 0.000211258 0.000125759 0.001682221 0.000063381 0.000075347 0.000115025 -0.000023475 0.000391860 0.000125593 -0.000100563 -0.000062055 -0.000010181 0.000300375 0.000234442 0.000209212 0.000290289 0.000033842 -0.002304004 0.000270401 -0.000847338 -0.001506417 -0.000005647 0.000698424 0.000092998 0.000461392 0.000287549 -0.000062889 -0.001360513 0.000255256 -0.000682315 -0.000676584 -0.000014128 0.000339591 0.000006357 -0.000013620 0.000013652 0.000008435 -0.000582529 0.000069020 -0.000222720 -0.000331014 0.000013012 -0.000138138 0.000103792 -0.000360378 -0.000556740 0.000053720 -0.000126311 -0.000001685 0.000001487 0.000032014 -0.000051148 -0.000140107 -0.000006026 0.000013093 -0.000074680 -0.000004158 -0.000127575 -0.000018292 0.000083200 0.000018135 -0.000058037 -0.000156467 -0.000000515 -0.000067819 -0.000175112 0.000005954 0.000124921 -0.000042160 -0.000043458 -0.000058245 0.000030361 0.000323988 -0.000046263 0.000039031 0.000039236 -0.000007335 0.000042271 -0.000004311 0.000010388 0.000006650 0.000012476 -0.000052826 0.000005772 0.000010774 0.000043116 -0.000025604 -0.000004628 -0.000001086 -0.000003336 -0.000004453 0.000019251 0.000261536 -0.000017494 0.000023860 0.000070418 0.000001191 0.000007595 0.000002095 0.000020965 0.000007058 0.000017572 -0.000213252 0.000013930 0.000020719 0.000047011 -0.000021532 0.000143970 0.000002464 0.000030720 0.000076737 -0.000017056 0.000054479 0.000001074 -0.000003605 -0.000008905 -0.000004427 0.000136194 -0.000011935 -0.000033076 -0.000061615 0.000023845 -0.000111977 0.003768633 0.001532562 0.000435509 0.001197089 -0.002459386 -0.000357825 -0.000614421 0.000124659 0.000459814 -0.000241875 0.000416379 0.000370830 -0.000497161 -0.000429079 0.059387796 -0.025189881 -0.008042481 0.014324996 0.003833904 0.046698465 0.001928286 0.001659131 -0.002220718 -0.025510921 -0.106075147 -0.009269123 -0.006236237 0.010855135 0.009866113 -0.009876627 -0.002839915 -0.001271131 0.002529544 0.000825704 -0.005924121 -0.003755663 -0.000500072 0.001465816 0.000648485 0.005117871 0.001136679 0.000754883 -0.001153948 -0.000529804 0.000244128 0.000249282 0.000779244 -0.000007909 0.000088182 0.002920899 -0.000531087 0.000442462 -0.000301123 -0.001241835 0.001229867 0.000345277 -0.000015417 -0.000222649 0.001387111 -0.000086154 0.000008791 -0.000004178 -0.000048179 -0.000009817 0.000056905 -0.000012850 0.000041409 0.000011119 0.000016395 0.000114249 0.000044040 0.000006367 0.000029828 0.000013785 0.000045681 0.000010486 0.000009226 0.000020560 0.000010217 -0.000008739 -0.000012218 -0.000012674 -0.000003698 -0.000008949 0.000098630 -0.000020362 0.000013457 0.000012663 0.000013085 0.000028955 0.000029517 -0.000010619 0.000024868 0.000002174 -0.000005670 0.000020330 -0.000000997 0.000007083 0.000008214 -0.000023740 0.000029430 -0.000009192 0.000002799 -0.000001806 0.000014089 -0.000008845 0.000004989 -0.000002584 -0.000002567 -0.000012975 -0.000006339 -0.000022309 -0.000005644 -0.000014605 -0.000028865 0.000019265 0.000013767 -0.000009911 0.000007455 0.000245100 0.000487107 -0.000120080 -0.000034641 0.000054791 0.000087657 0.000051852 -0.000197828 0.000100419 -0.000046245 0.000123926 0.000127657 0.000027935 -0.000050044 -0.000019604 0.000022385 0.000031402 -0.000010860 0.000024060 -0.000016647 -0.000006445 -0.000002491 0.000009818 -0.000012545 0.000005439 0.000037274 -0.000227365 0.000087780 0.000036996 -0.000001997 -0.000007763 -0.000015793 0.000015065 -0.000003237 0.000008098 0.000091558 -0.000054537 -0.000010509 0.000053104 -0.000008235 0.000092595 -0.000076063 -0.000030448 0.000090177 -0.000015094 -0.000569228 -0.000282815 0.000240153 0.000105729 0.000114368 -0.000267152 -0.000437046 0.000641341 -0.000825389 0.000463658 -0.000543698 0.000122871 -0.000318675 -0.000315886 0.000034048 0.000063889 -0.000151035 -0.000083213 0.000046887 -0.000099804 0.000042662 -0.000228377 -0.000009387 0.000346139 -0.000024706 -0.000020944 0.000491881 0.000291914 -0.000225210 0.000049318 0.000189247 0.000614929 -0.000144995 0.000151311 -0.000040378 -0.000072536 0.000525873 -0.000302125 -0.000219357 0.000012586 -0.000663276 -0.000176550 -0.000510146 -0.000848683 0.000068251 0.006996219 -0.000018864 0.000501846 0.000199601 0.000356760 -0.000979074 -0.001476899 -0.000101912 0.000066834 -0.001779439 -0.006169495 -0.002554309 0.000086367 0.000345997 -0.000882777 -0.001784793 -0.000544115 -0.000279922 0.000014313 -0.000527638 -0.001711214 0.000128548 -0.000081018 0.000087612 0.000222555 -0.001109709 0.000869174 -0.000024704 -0.000049350 0.000374432 0.000509856 0.000114636 -0.000006063 -0.000155853 0.000102814 0.001633024 0.000352729 -0.000096346 0.000052023 0.000525402 0.000613586 0.000176849 -0.000014639 0.000164326 -0.000147756 0.296417056 -0.062061343 0.069836764 0.003416719 0.004461108 0.544265815 -0.019262446 -0.028423537 0.016465227 0.575059283 0.004103761 0.004735658 -0.016264970 -0.043380015 0.481962881 0.001048149 0.001057401 -0.058589198 0.038825783 -0.011274216 -0.000976815 -0.003390584 0.040915016 -0.280892964 0.066848449 -0.003759229 -0.004357066 -0.011376357 0.068774930 -0.064590509 0.000354009 -0.000170008 -0.224642931 -0.076414193 0.079305731 0.000716582 0.000752072 -0.077411145 -0.085641027 0.037048316 -0.000232522 0.001054361 0.080570862 0.037131592 -0.084444460 0.000378305 0.000713698 -0.154664901 0.005802117 -0.058189169 0.000430463 -0.000782215 0.005616212 -0.083204495 0.004716882 0.001204710 0.001903019 -0.061144167 0.007170366 -0.134620625 -0.000653090 -0.000120106 -0.003765435 0.025003106 -0.009424356 0.000303125 0.000625206 0.000032748 -0.001187537 0.000171118 -0.001080517 -0.000193299 -0.002225472 0.021849074 -0.008230008 -0.000046282 -0.000131549 -0.022951060 -0.008631090 0.008737356 -0.000064202 0.000038486 0.001031397 0.000430835 -0.001204704 0.000017118 -0.000035641 -0.020729004 -0.007306579 0.010596586 -0.000114871 0.000168198 0.007375064 -0.016166684 -0.020131985 0.000448072 -0.000033487 -0.003337296 0.000076808 -0.000701572 -0.000157229 0.000038075 0.002010306 -0.013820667 -0.021828670 -0.000043816 -0.000034825 0.000768012 0.000301468 0.000395493 0.000000678 0.000107415 0.002355671 -0.002232182 -0.002082671 -0.000141120 -0.000032633 0.003327808 -0.004356338 -0.003430172 0.000032309 -0.000024285 -0.000041340 -0.001123925 0.000157932 0.000256757 0.000223530 0.000392866 0.000694546 0.001341936 0.000249237 -0.000013927 0.000571322 -0.000901291 0.001851345 0.000053555 0.000024127 0.002129147 0.000498244 -0.000743298 -0.000060242 0.000031877 0.000202052 -0.000605981 -0.000047884 0.000071839 0.000040294 0.000651997 -0.000118774 0.000439613 -0.000008011 0.000001901 0.000099483 0.000175095 -0.000029676 0.000054251 0.000014900 -0.000195103 0.000094302 0.000285015 -0.000076062 -0.000027450 0.000132628 -0.000060770 -0.000201174 -0.000080947 -0.000050798 -0.000581428 -0.000354455 -0.000020600 -0.000020750 -0.000022533 0.000516359 0.000576117 -0.000349992 0.000064165 0.000046382 -0.000135590 -0.000504114 -0.000509605 -0.000028781 -0.000027033 -0.000805354 -0.000440068 -0.000375405 0.000014824 0.000001173 -0.000136238 0.000039995 0.000074125 -0.000026469 -0.000010075 0.000214085 -0.000218776 0.000448274 -0.000189633 0.001009652 0.001690388 0.002389416 -0.001592637 0.000285663 0.000321637 0.000108856 -0.001618043 0.000102069 0.000324193 -0.000149971 0.000786576 -0.001134037 -0.000138427 0.000960667 -0.003318073 -0.008768077 0.000939028 0.012785079 -0.008783714 0.013847466 0.008372168 0.006436061 -0.000289085 0.005139208 -0.006413873 0.023953073 0.008293587 -0.018852118 -0.000267800 0.000254666 -0.000276583 -0.000575093 -0.000613038 0.000836284 -0.000680013 0.000625726 -0.000166811 0.000068584 0.000135180 0.000497143 0.000763884 0.000364495 0.000381206 -0.000473934 0.000346012 -0.000731755 -0.000498026 0.000724092 -0.001030065 0.001135854 -0.000808681 -0.001130485 0.000384247 0.001126249 -0.000955212 -0.000218948 0.000288249 0.000178632 -0.000017776 0.000011756 0.000012657 0.000005334 -0.000005442 -0.000015238 0.000009949 -0.000015940 0.000007309 0.000000834 0.000002457 -0.000003473 0.000009524 -0.000011781 0.000013318 0.000004269 -0.000001615 0.000000761 -0.000003178 0.000005646 0.000001540 0.000000413 -0.000004932 -0.000000735 -0.000000357 0.000014924 -0.000009878 -0.000020723 0.000003634 -0.000001589 0.000025079 -0.000012616 0.000012739 -0.000000502 -0.000000961 0.000003634 -0.000000453 0.000011156 -0.000003941 0.000001314 -0.000001269 -0.000000315 0.000023314 -0.000001398 0.000000429 -0.000005036 0.000003170 -0.000008793 0.000000030 0.000003275 0.000011666 -0.000009831 -0.000000046 -0.000001177 -0.000001675 -0.000013958 0.000012957 0.000009366 -0.000003597 0.000003326 0.000003489 -0.000100515 0.000290259 -0.000064741 0.000010215 0.000048351 -0.000130452 0.000080451 0.000004464 -0.000004470 -0.000036053 -0.000016528 0.000097842 -0.000027469 0.000043543 0.000012143 -0.000003675 0.000015007 -0.000003044 0.000013834 0.000002614 0.000001666 -0.000008572 0.000008065 -0.000009307 -0.000030037 0.000044941 -0.000144998 0.000013001 0.000018219 -0.000010571 0.000005555 -0.000005873 -0.000000466 0.000000231 0.000046771 -0.000032069 -0.000029611 0.000012835 0.000000129 0.000041862 -0.000051299 -0.000036530 0.000015694 0.000000097 -0.000143470 0.000089744 -0.000230006 0.000005011 -0.000181546 0.000141889 -0.000278962 -0.000212861 0.000207316 -0.000438766 -0.000035364 -0.000189214 0.000061874 -0.000099868 0.000244292 0.000052662 0.000102894 -0.000126420 0.000086195 0.000003439 -0.000074597 -0.000018808 -0.000168348 0.000007158 0.000080738 -0.000066355 0.000206359 0.000158897 -0.000107599 0.000102848 0.000148274 -0.000183595 0.000373726 0.000025033 -0.000044177 -0.000012247 0.000010639 0.000389976 -0.000081806 0.000083868 0.000083031 0.000044405 -0.000014343 0.000058561 -0.000263486 0.001168942 -0.000142306 -0.000900425 -0.000131799 0.000007384 -0.001833252 0.003369949 -0.001924423 -0.001203833 0.002430513 -0.001435532 0.000527739 -0.000848234 0.000376406 0.000621498 -0.000963491 0.000153540 -0.000256850 -0.000403129 0.000402383 0.000391033 -0.000755857 0.000762112 0.000497955 -0.000680205 0.000218165 -0.000152579 0.000988413 0.000225469 -0.000352221 0.000144427 0.000216423 0.000038609 -0.000022820 -0.000160162 0.001144985 -0.001236543 0.000144505 0.000484300 -0.000490059 0.000461717 0.000111006 -0.000328389 0.000060657 0.000369070 0.060345085 -0.045456789 0.303118477 0.015395523 -0.069113437 0.073022587 0.005645996 0.001799746 -0.002423129 0.246054875 -0.025928593 -0.008458148 0.010497749 0.084054598 0.085128411 0.006473638 0.001758401 -0.003347126 -0.087788122 -0.036700974 -0.004508839 -0.000148464 -0.004181455 -0.020757378 0.002379593 0.024150834 -0.000283235 0.021341757 -0.009262997 0.000063067 -0.007709285 -0.000817798 -0.008193847 0.010199036 -0.000372476 -0.003309701 0.000160952 -0.003872917 0.000715182 0.000255942 0.000500718 0.001104643 -0.000312887 0.000534092 0.000721182 -0.003839227 -0.000481182 -0.002523227 0.000104852 -0.000804736 0.000551549 0.000355135 0.000256969 -0.003344616 0.000802989 0.000289692 0.000335959 -0.000543897 0.000286492 0.001195129 0.000622677 0.000212705 0.000741298 -0.003834219 -0.000141213 0.000881521 -0.000371628 0.000371447 -0.000245672 -0.000764006 0.000638653 0.000957617 0.001647704 0.000385451 -0.000186808 0.000856071 -0.000722880 0.000773242 0.000716777 0.000261386 -0.000015456 -0.000046193 0.000110431 0.000233535 0.000162606 -0.000134735 0.000300695 -0.000241479 0.000036577 0.000044067 0.000425747 -0.000000309 0.000481487 -0.000210560 -0.000190831 0.000200603 0.000044482 -0.000097121 0.000033519 -0.000017960 -0.000695890 0.000377804 -0.000892704 0.000050327 0.000085883 -0.000144208 0.000643395 -0.000344403 -0.000059318 0.000021968 0.000068774 0.000047696 0.000019387 -0.000440224 -0.000500570 -0.000143135 0.000115717 -0.000074910 0.000333603 0.000285916 -0.000096069 0.000286188 -0.000128942 0.000234588 -0.000340816 -0.000156248 -0.000046724 -0.000050280 -0.000082473 0.000017497 0.000009911 0.000055833 -0.000110220 0.000023705 -0.000096202 0.000013296 -0.000116293 0.000241600 -0.000175785 0.000040453 -0.000040826 -0.000031355 0.000095536 0.000945702 0.000466273 -0.000034217 -0.000203792 0.000089017 -0.000195196 -0.000291577 -0.000064395 0.000194454 -0.000036966 0.000436213 -0.000741526 0.000052840 -0.000002200 0.000064941 0.000570884 0.000292536 0.000041445 0.000018322 -0.000052857 0.000122305 -0.000008256 -0.000032879 0.000049957 -0.000003298 0.000182618 0.000162977 0.000153878 -0.001409783 -0.002125120 0.000831565 -0.000676865 -0.000462039 0.000724899 0.001246607 -0.000490671 0.000462372 -0.000314487 0.000449208 0.000409827 0.000236424 0.000069407 -0.000024435 -0.000964804 -0.001006634 0.000454899 -0.000140346 0.000222847 0.001840489 0.001112128 0.001090927 -0.000313394 -0.001094714 0.000973390 0.001709574 0.002877599 -0.001744977 0.000055402 0.000016462 -0.000004904 0.000107806 0.000100506 0.000019977 0.000005568 0.000017307 -0.000047577 0.000046205 0.000085407 -0.000100204 -0.000110972 -0.000073126 -0.000060279 -0.000017161 -0.000185463 -0.000618059 -0.000324338 0.000010789 0.000066430 0.000169956 -0.000021448 -0.000495204 0.000171420 -0.000050360 -0.000291102 -0.000104227 0.000311105 -0.000076278 0.000008747 0.000006465 -0.000005236 -0.000032112 -0.000009687 -0.000003119 -0.000012794 -0.000008835 0.000006332 0.000002558 -0.000008140 -0.000005713 0.000004311 0.000028433 0.000006633 -0.000006128 -0.000005403 0.000001891 0.000017134 0.000005496 0.000002048 0.000002464 0.000002141 -0.000002550 -0.000000505 -0.000008850 -0.000007202 0.000008305 0.000031664 0.000009928 -0.000007627 0.000001570 0.000008520 0.000022854 0.000005831 -0.000005605 -0.000002743 0.000003087 0.000010615 0.000004516 0.000000547 0.000002894 -0.000000486 -0.000004967 -0.000002701 0.000004481 -0.000000585 -0.000004635 -0.000003874 -0.000001769 0.000003398 0.000009271 0.000003981 -0.000005067 -0.000003748 0.000001199 -0.000003007 -0.000007232 -0.000006641 -0.000000829 -0.000031322 0.000014944 0.000029708 0.000074757 0.000002268 -0.000004143 0.000025151 0.000021502 -0.000012929 0.000001691 0.000012821 0.000010705 -0.000013192 -0.000045517 -0.000022091 0.000001030 0.000005246 0.000001649 -0.000006736 -0.000001635 0.000000445 -0.000001941 -0.000001657 0.000003059 0.000000063 0.000010272 -0.000018378 -0.000019667 -0.000021207 0.000001831 -0.000001093 -0.000003979 -0.000002322 -0.000003329 0.000000728 -0.000006241 0.000005818 0.000011861 0.000021854 0.000005095 -0.000006488 0.000003559 0.000011739 0.000017905 0.000006738 0.000009517 -0.000016573 -0.000051909 -0.000023455 0.000027727 -0.000040786 0.000010305 0.000112706 0.000087632 -0.000003501 -0.000055276 -0.000020801 0.000013524 0.000119020 0.000054032 0.000020696 -0.000007115 -0.000029388 0.000002904 -0.000003705 -0.000003889 -0.000006282 -0.000059287 -0.000053429 0.000017771 -0.000008635 -0.000018373 -0.000055239 -0.000009902 0.000001359 -0.000031037 0.000056406 0.000062753 0.000060686 -0.000005721 -0.000032381 0.000035322 0.000026576 0.000035352 0.000001825 -0.000014104 0.000024793 0.000033051 0.000011024 0.000000566 -0.000200141 0.000006586 0.000191067 0.000248737 0.000182810 0.000486037 -0.000441108 -0.000835591 -0.000883719 0.000041457 0.000427809 -0.000086092 -0.000447785 -0.000912268 -0.000317363 0.000245681 -0.000040787 -0.000245529 -0.000537679 -0.000120041 -0.000082573 0.000119728 0.000175632 0.000173015 -0.000074725 -0.000183965 -0.000044146 0.000160323 0.000566480 0.000055451 -0.000058507 0.000005416 0.000054991 0.000086320 0.000020783 -0.000174644 0.000330936 0.000397545 0.000160413 0.000035843 0.000051096 0.000036455 -0.000041879 0.000002874 0.000088999 0.096627043 -0.021232636 0.552671914 -0.009191420 0.015508302 0.564240229 0.009228556 -0.034613422 -0.036594363 0.511008892 0.000866185 -0.053202814 0.026156743 -0.007766717 0.054078793 0.000058888 0.027214939 -0.267443630 0.073851417 -0.031740877 0.000969019 -0.008150202 0.075126970 -0.073821831 0.013148225 -0.003620375 -0.239345592 -0.062024816 0.098798061 0.005220469 -0.000153738 -0.063271278 -0.072074102 0.034210972 -0.025467414 -0.003268085 0.098889447 0.033285359 -0.097006630 0.007010243 0.000222611 -0.086641749 0.011865588 0.012704711 -0.001303344 -0.000078919 0.010900059 -0.128284332 -0.057275335 0.005004753 0.000806953 0.015597190 -0.058294413 -0.155631177 -0.001592409 0.000166494 0.004822805 0.000244302 0.004790595 0.000102056 0.000233801 -0.017619250 0.000398094 -0.013987745 -0.000496668 0.000149821 -0.021419737 0.002623247 -0.016576503 0.000172469 -0.000020392 -0.000748718 0.005403751 -0.001366710 0.000603848 -0.000048626 0.002440899 -0.020020901 0.006091058 0.000836223 -0.000074992 0.002482265 -0.026286420 0.007772302 0.000612454 0.000669121 -0.004166783 0.001872981 0.007225788 0.000148770 -0.000735170 0.017638175 0.006484000 -0.009837047 0.000971208 -0.001021396 0.024040372 0.006713833 -0.016813379 -0.000734985 0.000043491 0.001441629 -0.000830018 -0.000958139 -0.000069630 0.000121765 0.000502992 0.001087011 -0.001007846 -0.000175651 0.000044847 -0.000925851 0.001535689 0.000674296 0.000295310 -0.000044981 0.000447067 -0.000187279 -0.001014891 0.000019295 -0.000677553 0.000787344 -0.000083345 0.000265518 0.000024283 -0.001982932 -0.000370089 -0.000409511 0.000704168 0.000003600 -0.000136810 -0.004728151 -0.003245650 0.001806822 0.000066231 0.000039218 -0.000885382 -0.000042320 0.000400955 -0.000255458 -0.000026997 0.003515438 0.002581220 -0.000529524 -0.000056799 -0.000893850 -0.000066738 -0.000900763 -0.000016467 0.000330049 0.000459257 -0.000140130 0.000670712 0.000335139 -0.000134950 -0.000412997 0.000286033 0.000267199 0.000258513 -0.000151008 0.000677294 0.000987978 0.000082406 -0.001475671 0.000063924 -0.003357565 -0.001096567 0.000502900 -0.000025326 0.000095591 -0.004832931 0.001831918 0.000290252 -0.000624902 0.000344790 0.000371594 -0.000601267 -0.000188225 -0.000109103 -0.000025817 -0.000169074 0.000314331 0.000451010 0.000165423 -0.000022433 -0.000463239 -0.000223688 -0.000269987 -0.000153723 -0.000049403 0.000719056 -0.000914932 0.000054270 0.000184760 0.000156617 0.000912055 -0.000612701 0.000262436 0.000082305 0.000044961 -0.000359283 0.000169593 -0.000282939 0.000095157 0.000025239 0.000040202 -0.000016429 0.000015120 0.000008789 -0.000000516 -0.000007478 0.000010549 -0.000013125 -0.000006579 0.000003121 -0.000035825 0.000012991 -0.000010398 -0.000000887 0.000000957 -0.000022848 0.000007766 -0.000007048 -0.000003550 0.000001099 0.000003485 0.000001568 0.000001252 -0.000000095 -0.000001309 -0.000038396 0.000031616 -0.000024601 -0.000006129 -0.000000286 -0.000028776 0.000002001 -0.000004127 0.000000881 -0.000000142 -0.000014565 -0.000002755 0.000001592 0.000000465 0.000001043 0.000004189 -0.000010218 0.000009553 0.000004919 0.000000482 0.000005275 0.000001836 0.000000525 -0.000001441 -0.000000332 0.000007794 -0.000001312 0.000000230 0.000003274 -0.000002252 0.000007891 -0.000010689 0.000007724 0.000002595 0.000001488 -0.000110508 -0.000032129 0.000038871 0.000062332 0.000004959 0.000006681 -0.000031657 0.000029280 0.000011701 -0.000000399 0.000048558 -0.000051785 0.000039807 0.000024100 -0.000000565 0.000008634 -0.000015141 0.000008799 0.000002279 -0.000000823 -0.000003993 0.000005398 -0.000003396 -0.000003291 0.000000413 0.000034128 0.000029873 -0.000029521 -0.000033986 -0.000000195 0.000004029 0.000001639 -0.000001897 -0.000001536 0.000001097 -0.000023620 0.000022415 -0.000027929 -0.000005484 -0.000001754 -0.000021675 0.000023276 -0.000024987 -0.000014524 -0.000001684 0.000038280 0.000074874 -0.000049309 -0.000038025 0.000004317 -0.000098465 0.000178563 -0.000158307 -0.000040937 0.000017581 -0.000134901 0.000022274 -0.000046955 -0.000050859 0.000001726 0.000005301 0.000014991 -0.000027367 -0.000017132 0.000000051 0.000074605 -0.000019101 -0.000025624 -0.000053704 0.000006253 0.000020002 -0.000089077 0.000054981 0.000056819 0.000014500 -0.000092385 -0.000059086 0.000056123 0.000077796 0.000000950 -0.000067980 -0.000094031 0.000098179 0.000077077 0.000000232 -0.000011247 0.000023914 0.000000433 0.000006060 0.000004032 -0.000276300 0.000282456 -0.000325176 -0.000160170 0.000066530 0.001271028 -0.000482320 0.000413083 -0.000208131 -0.000080787 0.001245549 -0.000425441 0.000131686 -0.000130538 -0.000083101 0.000812527 -0.000556615 0.000278217 -0.000018991 -0.000069155 -0.000307681 0.000104512 -0.000068861 0.000091741 0.000005065 -0.000866932 0.000404285 -0.000114386 0.000149147 0.000023398 -0.000115172 0.000094722 -0.000060847 0.000024802 0.000007685 -0.000211998 -0.000055554 -0.000061951 0.000067713 0.000028564 0.000001793 -0.000066905 0.000061739 -0.000045150 0.000001391 0.291336480 -0.078632946 0.080810638 0.001540108 -0.003057961 0.259878698 -0.007113142 0.012490942 0.067371529 0.072873369 0.001767723 -0.003984088 -0.104860206 -0.031422755 0.109340286 0.002008260 0.003635865 -0.003491342 0.019207862 0.021734249 -0.019589378 -0.026543097 -0.001370117 0.005189842 0.007787510 0.006702278 0.007167886 0.000532327 -0.010634547 -0.012591474 -0.000496380 -0.000244365 0.000951894 -0.000209701 -0.000106643 0.000424753 0.000582224 0.000180308 0.000725988 0.000817419 -0.000317905 0.001029122 0.000049760 0.000647927 0.000267904 0.000555638 0.001262177 -0.000074258 0.000356112 -0.000246927 -0.001539520 -0.003849917 0.000234000 0.000665729 -0.000023873 -0.003877808 -0.003808271 -0.000000264 0.000524886 0.000981573 -0.000651594 -0.000677999 0.001294312 -0.000186600 -0.000340708 0.000953928 -0.000716709 0.000967489 -0.002464979 -0.004113422 0.000828465 0.001659893 0.000554866 -0.002943004 -0.003387219 0.000836336 -0.000045190 -0.000017784 0.000044433 -0.000408067 0.000469218 0.000708337 -0.000030547 0.000249814 -0.000109549 -0.000788614 -0.000098178 -0.000037341 -0.000274102 0.000238811 -0.000025003 0.000101773 0.000235104 -0.000045716 0.000080593 0.000026572 -0.000008294 -0.000112519 -0.000045281 -0.000112345 -0.000009113 -0.000092802 -0.000229679 0.000152163 0.000072646 -0.000138558 -0.000324427 -0.000218167 0.000842180 0.001365927 0.000400641 0.000175851 -0.000202766 0.000392188 0.000079309 -0.000099751 0.000151186 0.000136221 -0.000812894 -0.000781096 -0.000083667 0.000346708 0.000295193 0.000377687 0.000617837 0.000117522 -0.000197009 -0.000235228 -0.000377401 -0.000451259 0.000126400 -0.000265315 0.000049673 0.000092697 0.000176102 0.000035885 0.000007674 0.000517357 -0.000285194 0.000236693 0.000336477 -0.000696549 0.000747541 -0.000288032 -0.000107337 0.000701942 -0.000594436 0.001061386 -0.000150959 0.000599243 -0.000034551 0.000052890 0.000549298 0.000494021 0.000230704 -0.000148711 0.000111823 -0.000120300 -0.000155369 -0.000481957 0.000010245 0.000072509 0.000308142 -0.000380170 -0.001551222 -0.000067146 0.000110396 0.000081776 -0.000188542 -0.000266035 -0.000012683 0.000008966 -0.000017877 -0.000216690 -0.000325169 0.000072810 -0.000028114 0.000049904 0.000068371 0.000230855 -0.000007184 0.000005162 -0.000018728 -0.000005749 -0.000022261 0.000001150 -0.000000262 0.000004953 0.000001280 0.000009953 0.000007662 -0.000006451 0.000017863 0.000005846 0.000023692 0.000003371 -0.000002403 0.000010757 0.000002973 0.000013187 -0.000000316 -0.000000143 -0.000002722 -0.000000427 -0.000002316 0.000011719 -0.000009853 0.000015068 0.000003765 0.000026584 0.000004306 -0.000003185 0.000012824 0.000003454 0.000011799 -0.000000441 0.000000922 0.000006856 0.000001813 0.000004352 -0.000002835 0.000001963 -0.000001399 -0.000000399 -0.000003786 -0.000000768 0.000000168 -0.000002097 -0.000000349 -0.000000804 0.000003145 -0.000002616 -0.000004388 -0.000001445 -0.000004732 -0.000004295 0.000004037 -0.000001830 -0.000000963 -0.000006062 0.000016978 -0.000019651 0.000057687 0.000017196 0.000071269 -0.000007761 0.000002909 0.000000936 -0.000001391 -0.000006026 -0.000015449 0.000012386 -0.000014479 -0.000002055 -0.000037049 -0.000003133 0.000002785 -0.000001720 0.000000310 -0.000008057 0.000000015 -0.000000371 0.000000834 -0.000000296 0.000002517 -0.000001876 0.000004405 -0.000013920 -0.000003009 -0.000011999 -0.000000526 0.000000829 -0.000001103 -0.000001216 -0.000001018 0.000014975 -0.000011457 0.000009950 0.000001952 0.000016942 0.000009810 -0.000007477 0.000008291 0.000001589 0.000013960 -0.000006100 0.000011727 -0.000042033 -0.000025889 -0.000020871 0.000079401 -0.000076390 0.000034107 -0.000011738 0.000120354 0.000020589 -0.000011107 0.000115251 0.000030675 0.000094746 -0.000003564 0.000000938 -0.000000950 0.000008736 0.000000270 -0.000015546 0.000016081 -0.000011248 -0.000019829 -0.000041313 -0.000011757 0.000012470 0.000029681 -0.000001713 0.000000334 0.000012235 -0.000019247 0.000040870 0.000009605 0.000042716 -0.000006291 -0.000000912 0.000039887 0.000010612 0.000019835 0.000004179 -0.000008966 -0.000005409 -0.000005619 0.000019025 0.000219494 -0.000196838 0.000351075 0.000025186 0.000457647 -0.000427876 0.000436800 -0.000414250 0.000029411 -0.000821358 -0.000338074 0.000320722 -0.000563379 0.000056580 -0.000868900 -0.000285980 0.000263675 -0.000329270 0.000064061 -0.000599128 0.000080662 -0.000080088 0.000014924 -0.000033359 0.000102700 0.000170014 -0.000152594 0.000220252 -0.000011034 0.000432826 0.000058069 -0.000045498 0.000024249 -0.000024961 0.000070692 0.000117928 -0.000151354 0.000140871 -0.000034136 0.000210545 -0.000015093 0.000015524 0.000049405 0.000000122 0.000026103 0.543144426 -0.010446429 0.561645018 0.046407373 -0.033468900 0.520384832 -0.214098734 0.007692557 -0.121385876 0.233531608 0.008560887 -0.051522688 0.007773008 -0.008014581 0.049783346 -0.122166428 0.006895202 -0.136383517 0.128197083 -0.004328588 -0.052115111 0.022775667 -0.009309422 -0.001462509 0.024425821 0.020968182 -0.276122832 0.077989019 0.000176180 0.000686776 -0.008539844 0.078851528 -0.075408937 -0.000690479 0.017046238 -0.168388224 -0.027578585 0.053049166 -0.022817659 -0.007416358 -0.026948353 -0.091522355 0.018141990 0.001782827 0.000216346 0.055357616 0.017230098 -0.119010340 -0.015386764 -0.005197661 0.002208211 -0.027318456 0.009089297 0.000896634 -0.000035498 0.000623008 -0.007336516 0.002263474 -0.000454059 0.000220315 -0.001677433 0.017488800 -0.006148247 -0.000107039 -0.000711475 -0.021560106 0.003176288 -0.015157774 -0.003735688 -0.001643816 -0.007940381 0.000649214 -0.005134239 -0.001889178 0.000461195 0.016332661 -0.002553280 0.012161756 0.003933371 0.000806751 -0.001177721 0.018428619 0.022434710 0.000755000 0.000696953 -0.000681518 0.005499800 0.008932013 0.000648662 0.000221925 -0.001294450 -0.010707324 -0.012961103 0.000153113 0.000055177 0.000220924 0.000402028 -0.000014146 0.000029586 -0.000044643 -0.000066286 -0.000549186 0.000029867 0.000031745 0.000079348 -0.000046595 0.000154097 0.000123493 -0.000069185 -0.000022238 -0.000022247 0.000019370 -0.000243970 0.000030678 -0.000013443 0.000337489 0.000102565 0.000111925 -0.000029168 0.000014778 0.000915925 0.000790409 0.000734824 -0.000191239 0.000025275 0.000446223 0.000162929 0.000091558 0.000000530 0.000041445 -0.000135228 -0.000195200 -0.000041344 0.000018023 0.000013388 -0.000112993 -0.000041007 -0.000065149 0.000007545 -0.000007532 0.000129088 -0.000253771 -0.000049579 0.000121488 0.000048827 0.000087754 -0.000362420 -0.000033179 0.000100028 0.000062287 -0.000066714 0.000207717 0.000050218 -0.000065232 -0.000048410 0.000001340 -0.000012640 -0.000006686 0.000001771 0.000002137 -0.000002642 0.000011854 0.000000310 -0.000002764 -0.000002315 0.000001157 0.000014115 0.000008048 -0.000003246 -0.000002045 0.000000389 0.000007823 0.000004055 -0.000001520 -0.000001138 -0.000001384 -0.000000947 0.000000244 -0.000000720 0.000000016 -0.000007664 0.000020793 0.000010670 -0.000009052 -0.000004893 0.000001767 0.000004108 0.000005163 0.000000628 -0.000000424 0.000002184 -0.000000100 0.000002477 0.000002173 0.000000419 0.000004686 -0.000004576 -0.000001416 0.000001818 0.000001706 -0.000000924 0.000001024 -0.000001135 -0.000000913 0.000000038 -0.000000119 -0.000004656 -0.000000773 -0.000000579 0.000000225 0.000003091 -0.000005180 -0.000002211 0.000003029 0.000001492 0.000042434 0.000020913 0.000032342 -0.000005426 0.000004736 0.000015469 -0.000011958 0.000000435 0.000005834 0.000005775 0.000015245 -0.000026806 -0.000010625 0.000009604 0.000007426 0.000004376 -0.000007495 -0.000001594 0.000003351 0.000001856 -0.000002205 0.000003084 -0.000000977 -0.000000245 -0.000000553 -0.000019131 0.000004879 -0.000010737 -0.000002283 -0.000004165 -0.000001086 0.000000708 -0.000000223 -0.000000410 -0.000000463 -0.000005177 0.000011565 0.000005568 -0.000006247 -0.000004028 -0.000006723 0.000011076 0.000002185 -0.000003741 -0.000003292 -0.000052855 0.000005052 -0.000019895 -0.000002289 -0.000009641 -0.000045348 0.000073547 -0.000004315 -0.000024850 -0.000023712 0.000029607 0.000055890 0.000024985 -0.000005360 -0.000002828 -0.000012352 0.000012728 -0.000003287 -0.000003523 -0.000004393 -0.000014406 -0.000012586 -0.000023391 0.000006093 -0.000000095 0.000044527 -0.000004572 0.000009089 0.000005906 0.000009056 0.000049211 0.000000607 0.000025519 0.000002390 0.000008576 0.000060130 -0.000016575 0.000026853 0.000007737 0.000014251 -0.000010709 0.000001693 0.000003108 -0.000003649 -0.000001902 0.000022274 0.000264828 0.000106328 -0.000103785 -0.000050946 -0.000063343 -0.000337575 -0.000134261 0.000104215 0.000058893 -0.000060734 -0.000389075 -0.000280527 0.000149891 0.000058665 0.000036006 -0.000309769 -0.000136242 0.000136187 0.000071619 -0.000003769 0.000025791 0.000008230 -0.000012718 -0.000011857 -0.000020316 0.000237429 0.000140058 -0.000093881 -0.000045593 -0.000018048 0.000031381 0.000005297 -0.000011970 -0.000009640 0.000064203 0.000050601 0.000026161 -0.000009384 -0.000002125 0.000025093 0.000013956 0.000028993 -0.000005841 0.000002006 0.150172760 -0.007191277 0.054570095 -0.000420918 -0.023305844 0.298967527 -0.005771482 0.004279659 -0.082911562 0.081628270 0.017810476 0.001524318 0.000879822 -0.001400837 0.525865691 -0.001096955 -0.027606295 -0.006268353 0.016936616 -0.017561776 0.010710088 0.010008132 0.001754905 -0.006322133 0.040004482 -0.000811634 -0.004381171 -0.001350462 0.003503663 -0.049422545 -0.000252845 -0.001867296 0.000959679 0.000426328 0.014211566 0.000576972 0.003724022 0.000834818 -0.001328717 -0.005616289 0.003826710 0.001090707 -0.000282927 -0.000119703 -0.235985599 0.001160975 -0.000146520 0.000215234 -0.000701972 0.026422035 -0.001453653 -0.000738781 -0.000224580 0.000887055 -0.122209030 -0.000470580 0.000895959 -0.000267365 -0.000572160 -0.049004863 -0.000267188 0.000567193 0.000571153 -0.000065634 0.010053691 0.001097218 -0.000411049 0.000350074 -0.000063454 0.012440335 0.000060554 -0.000071781 -0.000205330 -0.000113381 -0.000060881 0.000112046 -0.000031264 0.000278469 0.000081693 0.000009954 -0.000201206 0.000089904 -0.000017552 0.000050417 -0.000001029 -0.000014646 -0.000014446 0.000018410 0.000007764 -0.000047183 0.000027211 -0.000050449 0.000193205 0.000132534 0.000060379 -0.000206525 0.000027760 -0.000062193 0.000103738 0.000037973 0.000090591 -0.000008602 -0.000051599 -0.000030375 -0.000043134 0.000031539 0.000007073 0.000001223 -0.000007168 0.000003523 -0.000004511 0.000003630 0.000011278 0.000006938 0.000029609 0.000325595 -0.000141321 0.000097870 -0.000033943 -0.000042606 0.000281713 -0.000107666 0.000149387 -0.000007154 -0.000027559 -0.000188842 0.000039202 -0.000052573 0.000015823 -0.000005091 0.000010322 -0.000002127 0.000001119 -0.000000663 0.000002763 -0.000007364 0.000001492 -0.000004496 0.000000767 0.000000023 -0.000011307 0.000002750 -0.000001910 0.000000973 -0.000001532 -0.000006042 0.000001186 -0.000001472 0.000000499 -0.000001534 -0.000001186 0.000000619 0.000000154 0.000000264 0.000000623 -0.000024299 0.000005753 -0.000002836 0.000002708 0.000000430 -0.000002231 -0.000000046 0.000001274 0.000000012 -0.000002238 0.000001955 -0.000001169 0.000000172 -0.000000453 -0.000002576 0.000006361 -0.000001402 0.000000445 -0.000000499 -0.000000183 -0.000001026 0.000000955 -0.000000999 0.000000016 0.000001125 0.000000735 -0.000000004 0.000003569 -0.000000028 0.000001561 0.000007495 -0.000002085 0.000000107 -0.000001083 -0.000000891 -0.000004608 0.000002195 -0.000000724 0.000001188 -0.000002718 0.000017884 -0.000003936 0.000001550 -0.000000451 -0.000000833 0.000031190 -0.000006496 0.000003408 -0.000004087 0.000001655 0.000008333 -0.000002099 0.000001863 -0.000000984 -0.000000545 -0.000001544 0.000000658 -0.000001362 0.000000084 0.000000108 -0.000009856 0.000002545 -0.000003645 0.000000444 0.000001295 -0.000000977 -0.000000178 -0.000000710 0.000000195 -0.000000195 -0.000016325 0.000003065 0.000003199 0.000001985 0.000000939 -0.000012601 0.000002493 0.000000561 0.000001706 -0.000000129 -0.000018320 0.000001023 -0.000005643 0.000002276 0.000000529 -0.000073416 0.000011310 0.000001830 0.000013598 0.000001936 -0.000024556 0.000005664 -0.000007822 0.000002345 -0.000008684 -0.000011915 0.000003892 -0.000006514 -0.000001255 0.000001494 0.000013567 -0.000005826 -0.000000120 -0.000001740 0.000001778 0.000026792 -0.000007167 -0.000001881 -0.000002925 -0.000001471 0.000017675 -0.000004169 0.000007652 0.000000683 -0.000001351 0.000032131 -0.000006599 0.000006130 -0.000001927 -0.000004560 -0.000007344 0.000001048 0.000000566 0.000001699 -0.000000805 -0.000265493 0.000052859 -0.000019023 0.000033141 -0.000004445 0.000246749 -0.000026104 -0.000054077 -0.000067732 -0.000002383 0.000390323 -0.000071815 0.000013760 -0.000061878 0.000022481 0.000351576 -0.000065851 0.000012636 -0.000051308 -0.000001064 -0.000024399 -0.000004626 0.000028059 0.000011907 0.000004783 -0.000249311 0.000052485 -0.000025012 0.000034499 -0.000006898 -0.000036244 0.000001927 0.000010385 0.000009734 -0.000001333 -0.000007042 -0.000012742 0.000043447 0.000023637 0.000000757 -0.000012750 0.000003829 -0.000010151 -0.000000013 -0.000003032 0.571864594 0.015267920 0.553217188 0.014948884 -0.005768154 0.050527103 -0.286117852 0.074829767 -0.013330041 0.306010229 0.074065776 -0.072899670 0.001907417 -0.083307003 0.073478345 0.026177624 -0.120308160 0.000187350 -0.000468502 0.000797964 -0.053292433 0.016364082 0.025892095 -0.001142188 0.016355832 0.016681172 -0.125951684 -0.005886419 -0.000351947 -0.004673197 0.009182152 0.011351444 -0.001261957 0.001094940 0.001730946 -0.139939905 -0.124889485 0.000990433 -0.014494049 -0.024903987 -0.124148890 -0.220566780 -0.000625841 0.006431672 0.010063707 -0.000184713 -0.000215951 0.000005582 -0.000039109 0.000052329 0.000250309 0.000177156 0.000015082 0.000038179 -0.000081810 -0.000123595 -0.000042121 -0.000006286 0.000042457 0.000023190 0.000012058 -0.000031703 0.000003943 -0.000000576 -0.000007061 -0.000123214 -0.000028860 0.000010227 0.000103947 -0.000061240 -0.000602173 -0.000539555 -0.000005058 0.000083784 0.000078936 -0.000098081 -0.000123864 -0.000007416 0.000006559 0.000000797 0.000087300 0.000058867 0.000001461 -0.000019435 0.000004181 0.000047519 0.000067106 0.000001479 -0.000015643 0.000004844 0.000175565 0.000053146 0.000019585 -0.000021203 -0.000052803 0.000215187 0.000092743 0.000015022 -0.000009556 -0.000066164 -0.000131376 -0.000058046 0.000001244 0.000032570 0.000030864 0.000010096 0.000007225 0.000000672 -0.000004018 -0.000000364 -0.000005790 -0.000002719 0.000000508 -0.000000361 0.000002272 -0.000010988 -0.000006722 -0.000000460 0.000003661 0.000000988 -0.000005688 -0.000004273 -0.000000026 0.000001645 0.000000802 0.000000487 0.000000934 -0.000000072 0.000000203 0.000000102 -0.000015779 -0.000006420 0.000000058 0.000006554 0.000003093 -0.000005032 -0.000004210 -0.000000420 0.000003028 -0.000000803 -0.000000475 -0.000003039 0.000000195 0.000000218 -0.000000251 0.000003549 0.000001083 0.000000052 -0.000001802 -0.000000597 0.000000049 0.000000898 -0.000000399 -0.000000456 0.000000340 0.000001123 0.000002901 -0.000000446 0.000001691 -0.000001583 0.000004265 0.000000770 0.000000146 -0.000002135 -0.000000509 -0.000020867 -0.000017812 -0.000001121 0.000005997 0.000000500 0.000010157 0.000000728 0.000000070 -0.000005092 -0.000001406 0.000019795 0.000008618 -0.000000019 -0.000007641 -0.000003180 0.000004590 0.000001187 -0.000000056 -0.000001091 -0.000001341 -0.000001582 -0.000000510 -0.000000296 -0.000000237 0.000000275 0.000000628 0.000003307 0.000000255 -0.000001274 0.000001901 0.000000386 -0.000000052 0.000000546 -0.000000548 0.000000701 -0.000011310 -0.000002325 -0.000000168 0.000007054 -0.000000288 -0.000008562 -0.000002753 -0.000000104 0.000004009 0.000000223 0.000004123 0.000007370 0.000002146 -0.000003530 0.000004917 -0.000046460 -0.000014837 0.000001560 0.000015398 0.000003208 -0.000039157 -0.000031951 -0.000001516 0.000011228 0.000002640 -0.000006673 -0.000000267 -0.000001468 0.000000795 0.000001900 0.000015321 0.000010455 0.000000737 -0.000006229 -0.000001312 0.000005997 -0.000005231 0.000000455 -0.000005996 0.000000534 -0.000007937 -0.000010498 -0.000000778 0.000003976 -0.000003930 0.000004474 -0.000009371 0.000000026 -0.000001399 -0.000002641 -0.000001589 0.000000898 0.000000216 0.000000327 0.000000876 -0.000183503 -0.000102328 0.000003411 0.000059185 0.000027209 0.000258525 0.000135684 -0.000006239 -0.000096172 0.000004627 0.000313041 0.000190207 -0.000004411 -0.000115187 -0.000038137 0.000231514 0.000115336 -0.000006001 -0.000078302 -0.000035346 -0.000032089 -0.000007579 0.000002963 0.000020382 -0.000008598 -0.000189799 -0.000098570 0.000000659 0.000064710 0.000029685 -0.000023523 -0.000009525 0.000001930 0.000011485 -0.000000706 -0.000039159 -0.000023525 0.000003043 0.000022252 -0.000013903 -0.000007541 -0.000012135 0.000000479 0.000000758 0.000008443 0.254700926 -0.026055411 0.050597403 0.129072634 -0.017937295 0.132825500 0.003645593 -0.017100585 -0.020184355 0.050761583 -0.000833015 0.002763273 0.004845470 -0.009465998 0.144554691 0.002645924 -0.009419502 -0.011973024 -0.016874336 0.135686640 0.000061849 0.000066021 0.000004915 0.000038239 -0.000005407 0.000000381 -0.000089784 -0.000039012 -0.000048439 0.000029747 -0.000069275 0.000037644 0.000077849 0.000024038 -0.000051474 0.000010188 -0.000025745 -0.000006240 0.000050280 0.000000502 -0.000058040 0.000006929 0.000022680 0.000035854 -0.000022737 -0.000214406 0.000135797 0.000150848 0.000051137 -0.000119819 0.000056485 -0.000014824 -0.000005132 0.000065655 0.000007215 -0.000010813 -0.000005412 -0.000009796 -0.000039447 0.000007851 -0.000020813 0.000015097 -0.000002263 -0.000036066 0.000000882 0.000132121 -0.000056334 -0.000076092 -0.000008962 0.000059423 0.000099006 -0.000080927 -0.000078004 -0.000025350 0.000063033 -0.000047742 0.000054424 0.000061569 0.000032656 -0.000054601 0.000000875 -0.000001096 -0.000004664 -0.000003413 0.000002785 -0.000001749 0.000003394 0.000001722 0.000001089 -0.000001951 -0.000002133 0.000002138 0.000004743 0.000003120 -0.000003243 -0.000000787 0.000001304 0.000002427 0.000001907 -0.000001824 -0.000000708 0.000000081 0.000000274 -0.000000126 -0.000000497 -0.000006744 0.000005712 0.000008015 0.000004254 -0.000008284 0.000000995 -0.000000273 0.000002503 0.000001954 -0.000001116 0.000002047 -0.000000404 0.000000740 0.000000728 0.000000164 0.000001550 -0.000001328 -0.000002177 -0.000000826 0.000001975 -0.000000873 0.000000008 -0.000000299 -0.000000195 -0.000000014 -0.000000853 -0.000001529 -0.000000774 -0.000000518 0.000000577 0.000002522 -0.000001347 -0.000002244 -0.000000963 0.000002216 -0.000001904 0.000001167 0.000005183 0.000006588 -0.000004028 0.000004876 -0.000003996 -0.000004844 -0.000002046 0.000004577 0.000007329 -0.000006749 -0.000010812 -0.000004881 0.000009098 0.000002613 -0.000002129 -0.000002014 -0.000000875 0.000002217 -0.000000203 0.000000365 0.000000347 0.000000091 0.000000060 -0.000002604 0.000002135 0.000000657 -0.000000662 -0.000001047 -0.000000270 0.000000886 0.000000110 -0.000000141 -0.000000523 -0.000005087 0.000002338 0.000004919 0.000002834 -0.000004448 -0.000002988 0.000002036 0.000003873 0.000002175 -0.000002922 -0.000003369 0.000007102 0.000002748 -0.000003632 -0.000003664 -0.000021667 0.000014115 0.000016661 0.000006928 -0.000012770 -0.000000621 0.000004833 0.000012557 0.000015468 -0.000008950 -0.000003018 0.000002048 0.000002580 0.000001481 -0.000001870 0.000005244 -0.000002893 -0.000007851 -0.000003402 0.000005529 0.000007066 -0.000002393 -0.000006450 0.000000058 0.000003697 0.000003321 -0.000003427 -0.000000171 0.000002349 0.000001529 0.000008386 -0.000005391 -0.000003656 0.000001270 0.000003393 -0.000001608 0.000001645 0.000001269 -0.000000526 -0.000001405 -0.000073719 0.000046846 0.000064201 0.000056043 -0.000064709 0.000086341 -0.000050150 -0.000079585 -0.000040411 0.000056387 0.000105122 -0.000081349 -0.000129943 -0.000084402 0.000119744 0.000112464 -0.000070150 -0.000092164 -0.000051420 0.000087173 -0.000015918 0.000005361 0.000009001 -0.000002767 -0.000004080 -0.000075958 0.000057856 0.000083072 0.000041386 -0.000074382 -0.000010870 0.000006002 0.000010366 0.000003026 -0.000007592 -0.000004478 -0.000001837 0.000004158 0.000009148 -0.000001591 -0.000000810 0.000005507 0.000005925 0.000008853 -0.000011192 0.235426796 -0.000095054 0.555625410 0.000161481 -0.249140600 0.238002066 -0.000150569 0.119773877 -0.107004431 0.100203433 -0.000015314 -0.012251341 0.043550526 -0.025673924 0.642626733 -0.000085121 0.051172268 -0.034523152 0.031082433 -0.047891775 -0.000461949 -0.008757217 0.019537517 0.009845971 0.009291499 -0.000029556 0.001779005 0.000486774 -0.000109022 -0.293201057 0.000053335 -0.001184626 -0.003859340 0.005846288 0.063708692 0.000033592 -0.002015839 0.007501185 0.001802166 -0.080857116 0.000169935 -0.095767075 -0.000073883 0.010764726 -0.008177632 0.000201472 0.005016170 0.025836288 -0.004709420 -0.040556329 -0.000155773 0.006050481 -0.003215007 0.025091071 0.028392072 0.000009792 -0.000152616 0.000330446 -0.000035887 0.000167671 -0.000006019 0.000635434 -0.000386935 0.000572884 -0.000024432 -0.000010773 0.000252794 -0.000328528 0.000181160 -0.000312185 -0.000005867 0.000196885 -0.000211310 0.000091381 -0.000095645 -0.000000559 -0.000254393 0.000082460 -0.000184267 0.000036166 -0.000020339 0.000064580 -0.000330912 0.000008342 -0.000097793 -0.000004692 0.000205622 -0.000065193 0.000001475 0.000030573 -0.000000565 0.000122236 0.000021544 -0.000060905 -0.000004698 0.000004743 0.000059684 0.000044460 0.000041825 0.000028086 0.000000220 0.000016222 -0.000155565 0.000163532 -0.000004871 0.000002204 -0.000321940 0.000194628 -0.000235545 0.000005780 0.000005480 0.000328764 -0.000052482 0.000212588 0.000069379 -0.000016290 0.001108214 -0.000566864 0.000893002 -0.001243872 0.000010913 -0.001198544 0.000354806 -0.000486839 -0.000207066 0.000024104 0.000140161 0.000515005 0.000135613 -0.000399554 0.000005489 -0.000141384 0.000148942 -0.000229452 -0.000024956 -0.000000851 0.000183684 -0.000173260 0.000237846 0.000100285 -0.000001109 -0.000433218 -0.000031392 -0.000129914 -0.000105975 -0.000000710 0.000049640 0.000062482 0.000003048 -0.000009980 -0.000011445 -0.000318614 0.000024598 -0.000322533 -0.000106183 -0.000008934 -0.000643542 -0.000106279 -0.000484643 -0.000110457 -0.000003896 0.001650781 0.002041883 0.001868415 0.001498207 -0.000040467 -0.000833413 -0.003623097 -0.001710108 -0.002059680 -0.000034094 0.000008499 0.000530414 0.001293797 -0.003673106 -0.000005853 -0.001526424 0.000060257 0.000841298 -0.000293149 0.000016147 0.002151272 -0.000374066 0.002027694 0.000673699 0.000009586 0.004187201 0.000033561 0.002179238 -0.000703552 -0.000001848 0.000430323 -0.000273308 0.000137441 0.000191514 0.000006658 0.000150468 0.000219679 -0.000770026 -0.000150513 -0.000003183 0.000150272 -0.000023923 0.000249868 0.000382075 -0.000180465 0.000370999 -0.006968512 0.000669690 -0.013440233 0.000209351 -0.008540472 0.007390367 -0.004308344 -0.006508276 0.000333751 -0.020529018 0.012819803 -0.014955487 -0.008408146 0.000238176 -0.005309770 0.008480807 -0.004952846 -0.003408165 -0.000020379 0.001251658 0.000052607 -0.000073481 0.006939605 -0.000206234 0.008059888 -0.006949732 0.006365583 0.010101100 -0.000023108 0.001640100 -0.000952933 0.001100668 0.001374028 -0.000020405 0.003466475 -0.001936886 0.001869735 0.001128727 -0.000020678 0.002934207 -0.001345249 0.002547159 0.001209863 0.435283534 -0.278875293 0.337651452 0.073795911 -0.079673264 0.309985993 -0.053462161 0.040361779 -0.074611296 0.063183532 0.047297754 -0.060113487 0.083844757 -0.039962918 0.063515465 -0.030604972 0.007453950 0.000895039 0.000461676 0.001987055 -0.029712917 0.021589532 -0.001089823 0.000169173 0.000610891 0.027892276 -0.002046695 0.000849843 -0.001989636 -0.001319808 0.000497744 0.000327177 0.000009116 -0.000011928 0.000028642 -0.000765271 -0.000317678 -0.000001962 0.000020651 0.000044060 -0.000624346 -0.000353142 0.000010437 -0.000014739 -0.000058107 -0.000398023 -0.000211993 0.000005767 0.000011048 -0.000006366 0.000203678 0.000111646 -0.000003684 0.000006223 0.000001521 -0.000571154 -0.000334375 -0.000009973 0.000030974 0.000003310 -0.000230310 -0.000160190 0.000014295 0.000028594 0.000020849 0.000016613 -0.000024140 0.000008634 0.000002741 -0.000006692 0.000012704 0.000017159 0.000009460 0.000004605 0.000009270 -0.000257699 -0.000048818 0.000001150 0.000005840 0.000014405 0.000407070 0.000142785 -0.000008085 -0.000018022 -0.000023521 -0.000134851 0.000015234 0.000017263 -0.000000304 0.000025657 -0.002255686 -0.001621021 0.000076010 -0.000051665 -0.000215901 0.000194888 -0.000110042 -0.000042882 -0.000060755 -0.000163677 0.001308206 0.000517120 0.000056365 -0.000180415 -0.000141072 0.000430451 0.000155432 0.000012760 -0.000015212 -0.000019011 -0.000523992 -0.000170928 0.000006593 0.000043365 0.000059301 0.000390188 0.000295116 -0.000054779 -0.000063566 -0.000063881 0.000129553 0.000036326 -0.000009610 -0.000016647 -0.000013864 0.000173577 -0.000089075 -0.000030465 -0.000017839 -0.000059177 0.000170099 -0.000184231 -0.000041388 -0.000012097 -0.000075189 -0.003451411 -0.002455689 -0.000015524 0.000317793 0.000597907 -0.001562614 -0.004162299 -0.000324180 -0.000515706 -0.000813943 -0.004563907 -0.007548668 0.000178628 -0.000276073 -0.000525809 -0.000297936 0.000093120 0.000027654 -0.000038782 0.000098101 -0.003430732 -0.000950215 -0.000031507 -0.000012204 0.000257840 -0.004332710 -0.001743897 0.000222426 0.000099988 0.000469935 -0.001208573 -0.001135123 0.000089757 0.000185124 0.000126333 -0.000213768 -0.000447229 0.000125204 0.000133293 -0.000018460 -0.000577318 -0.000065823 -0.000001406 0.000087947 0.000018977 -0.020581398 -0.007488649 -0.001753464 -0.003392167 -0.006383472 0.015536511 0.023725217 0.001246153 -0.002633695 -0.001628259 0.060432340 0.018156480 0.000576711 -0.007689266 -0.006683736 0.029833725 0.011791650 0.001533702 -0.001399872 0.000791092 0.003425399 -0.005568887 0.000199447 0.000718509 0.001016652 -0.023228439 -0.012208788 0.000579523 0.003187559 0.002490383 -0.004140425 -0.001502428 0.000027769 -0.000178367 0.000303103 -0.019088096 -0.006665332 -0.000503345 0.000551837 0.000670846 -0.014290735 -0.002430862 0.000073844 0.000131725 0.000788633 0.360060875 0.033906444 0.346432938 -0.050248745 -0.201625494 0.232746862 0.000249087 0.000268577 -0.000232312 0.520140597 -0.000137065 -0.000315478 0.000246289 0.020926738 0.567488767 -0.000331137 -0.000358412 0.000307768 -0.033620604 0.016278548 -0.000143334 -0.000176573 0.000143392 -0.050495431 0.004709841 -0.000030888 0.000026595 -0.000007485 0.004458073 -0.062973441 -0.000322361 -0.000314921 0.000250538 0.022162541 -0.057216939 0.000061716 0.000002355 -0.000072038 -0.227360296 -0.093165518 0.000114036 0.000084344 -0.000122856 -0.093524439 -0.097789611 0.000052296 0.000034387 -0.000030143 0.078345303 0.039479072 -0.000170945 -0.000164456 0.000206469 -0.050341053 0.022900588 0.000056105 0.000138236 -0.000117749 0.024110118 -0.309535044 0.000137487 0.000068477 -0.000079121 0.003506392 -0.024823430 -0.000712420 -0.000738444 0.000811482 -0.169900724 0.034403273 -0.000232323 0.000155819 0.000391643 0.033845800 -0.097005589 0.000616768 0.000516322 -0.000515324 -0.052920784 0.021714679 0.000192757 0.000199883 -0.000224995 -0.020724530 -0.010492234 -0.000212486 -0.000173394 0.000252726 0.010995247 0.005083553 -0.000242901 -0.000031279 0.000229054 -0.016429249 -0.008314451 0.000098603 0.000049289 -0.000097478 -0.003384540 0.027963469 -0.000103253 -0.000029230 -0.000009750 0.000055444 -0.008704283 -0.000259725 -0.000094053 0.000229644 -0.001921954 0.018312425 0.000566313 0.000556938 0.000521128 0.001351578 -0.006655188 -0.000863703 -0.000517013 0.000373109 -0.001189779 0.001898366 -0.001211381 -0.000719991 0.001546042 -0.001374451 -0.002394758 -0.000460799 0.000039373 0.000536081 0.000347130 -0.000856165 0.000885003 0.000425215 0.000563846 -0.000257367 0.001035863 0.000934760 0.000010915 0.000003539 0.000454297 -0.001190039 -0.000003448 -0.000084272 0.000075184 0.000970615 0.000410232 0.000313189 0.000176320 -0.000227030 0.000055448 0.000008765 -0.000061712 -0.000071945 0.000162796 0.001388689 0.000228061 -0.009690470 -0.005425716 0.006951234 -0.001958976 0.000412668 0.005871527 0.004351139 -0.004837094 0.000269006 0.000170166 0.015947916 0.012151364 -0.012742227 0.000730575 -0.000913388 0.010577859 0.005468481 -0.008506757 0.000885115 -0.000246143 0.002753261 0.001868114 -0.002167512 0.000285944 0.000353822 -0.006978089 -0.004950574 0.006023704 -0.001062348 -0.000552924 -0.000478434 -0.000441427 0.000434550 0.000282475 -0.000340571 -0.002201737 -0.001449565 0.001620318 -0.000354230 0.000185901 -0.002062109 -0.001386644 0.001722220 0.000231830 -0.000414802 0.558658725 0.023282155 0.051177873 -0.057544079 -0.006674272 0.060487353 -0.294447977 -0.021245190 0.061697439 0.316922239 0.077195644 -0.000786986 0.000038452 -0.000169027 0.247862666 0.039063258 0.007954984 0.003306749 -0.002588541 0.099980902 -0.082469702 0.024848647 0.014438600 -0.008569718 -0.081898250 0.003324275 -0.001347134 0.002880556 0.000003175 0.003808059 -0.023408450 0.000092349 -0.003623970 0.000453998 0.002271704 -0.051562936 0.002179459 -0.030696765 -0.000399761 -0.002141124 -0.052815172 0.003739103 -0.001689296 0.003411014 -0.022650601 0.021402047 -0.007828891 0.001779652 -0.004493962 -0.012685985 -0.112997375 -0.027378658 0.011795919 -0.013833685 0.010088777 0.008894470 0.000910325 -0.000332377 -0.000211788 -0.003165100 -0.004701798 -0.000666288 0.000163739 -0.000282260 0.002817004 0.006015847 0.000426691 -0.000603888 0.000699697 -0.003508684 0.002710187 0.001004819 -0.000624776 0.000182639 0.000933840 -0.001190531 0.000030353 0.000317734 0.000669784 0.000457326 0.001127632 0.000715046 0.000130538 0.000400712 0.000400743 -0.030622721 -0.004915832 0.001968323 -0.005021697 0.001147974 0.009494224 0.002130890 -0.000304802 0.001848892 -0.000201163 -0.022772277 -0.001737478 0.000567007 -0.000880555 0.001792456 -0.000443652 -0.000150625 0.000002152 0.000110541 -0.000032100 0.000924131 0.000082899 0.000369718 0.000247166 0.000035408 0.001391041 0.000365227 0.000301109 0.000469436 -0.000045378 -0.000375873 0.000176885 0.000066678 0.000118114 0.000325744 0.000351072 0.000265149 -0.000017803 0.000029931 0.000154417 0.001118318 -0.000255779 -0.000330545 0.000336741 -0.001113911 0.004159095 0.001191959 -0.000062276 0.001734737 -0.000750459 -0.001345683 -0.000042899 0.000567439 -0.000182730 0.000373907 -0.005033796 -0.000941589 0.000159525 0.000081540 0.000689139 -0.000541645 -0.000141429 -0.000043094 -0.000640458 0.000607480 0.000138218 -0.000056709 -0.000086856 -0.000008145 -0.000002206 0.002031349 0.000237306 -0.000006598 0.000095622 -0.000996159 -0.000983458 -0.000315418 -0.000026470 -0.000343987 0.000017710 0.000704013 0.000180314 -0.000047269 0.000178501 0.000057550 -0.000622505 -0.000215166 0.000002531 -0.000350381 -0.000103134 0.098436434 -0.044201564 0.083254261 -0.026334164 -0.003946566 0.052896547 -0.010509726 -0.001655869 -0.029196552 0.330634522 0.012126331 0.000808696 -0.000250627 0.024770847 0.049967450 0.010247231 -0.014639937 -0.002485717 0.001047899 -0.000886791 0.005573622 -0.008763152 0.028783059 -0.009989515 0.017360955 -0.004406811 0.006397372 0.002327285 -0.001222287 0.001178737 0.002034404 -0.003014792 0.000773770 0.000146962 0.000470743 0.000295509 0.001159597 -0.000035287 0.000721949 -0.000669236 0.001400484 -0.001326999 0.000887182 -0.000089984 0.000436043 -0.000156683 0.000877393 -0.004227475 0.002107235 -0.003088502 0.000701508 -0.000163124 0.001892595 0.000872493 0.001215886 -0.000812918 0.000432448 -0.003500160 0.001131737 -0.001301549 -0.000104258 -0.000902889 0.000799430 -0.000679142 0.000401608 0.000095501 -0.000793607 0.000016049 0.000912641 0.001480622 -0.000470941 0.001827532 0.001296550 -0.000634154 0.001128465 -0.000135780 0.000106008 0.000220732 0.000056001 -0.000208938 -0.000119428 -0.000091835 -0.000458690 0.000133606 -0.000576958 0.000119554 -0.000030148 -0.000463389 0.000767318 -0.000407032 -0.000277654 0.000374155 -0.000012617 0.000043693 -0.000006420 0.000051063 0.000421724 -0.000139169 -0.000039936 -0.000044543 -0.000131457 -0.000107693 -0.000033910 -0.000033368 -0.000033936 0.000110174 -0.000462546 -0.000310265 0.000235414 -0.000545128 -0.000036340 0.000081531 -0.000000862 0.000113574 0.000037562 -0.000201424 0.000182836 0.000622824 -0.000603019 0.000255824 0.000171543 0.000177313 0.000096545 -0.000192841 0.000367072 -0.000011805 0.000046236 -0.000216991 0.000087930 -0.000103657 0.000145924 -0.000481734 -0.000278837 0.000393306 -0.000267063 -0.000022860 0.000069315 0.000080253 -0.000059915 0.000085399 0.000003689 -0.000025868 -0.000049629 0.000034496 -0.000082722 0.000003175 0.000029908 0.000078236 -0.000040133 0.000108891 0.557497693 0.024418441 0.587996932 -0.028541734 -0.006475161 0.488165587 -0.228402672 -0.095863298 0.083036003 0.248676775 -0.096702182 -0.102610330 0.043388467 0.102309978 0.104537541 0.081674177 0.042182250 -0.082320175 -0.086561077 -0.045620015 -0.053098185 0.023929843 0.003762764 0.004727879 -0.025155464 0.025281818 -0.296283762 -0.028300402 0.002656278 -0.012544726 0.003948710 -0.028383831 -0.051773906 -0.002246249 0.011645413 -0.084098866 0.003255416 0.018261284 -0.000543824 0.006874257 -0.000083539 -0.087122601 -0.030722746 -0.001060433 0.003622679 0.007799733 -0.026283517 -0.192759443 0.002497636 -0.002951679 -0.000596418 0.002392729 0.000295176 0.000193149 0.000605575 0.000893509 -0.004881750 -0.001207523 0.000097924 0.000526767 0.004251386 -0.033061788 -0.006149163 0.000240029 0.000371854 -0.001378292 -0.000065760 -0.000865149 0.000277421 0.000368709 0.007067857 0.003932978 -0.004553684 0.000508167 0.000824734 0.025537181 0.016930706 -0.014001835 -0.000225884 -0.001737756 0.003643588 -0.000711196 -0.013737487 -0.001101548 -0.002061518 -0.006660625 0.000050285 -0.001667750 0.000584881 0.000582178 -0.025829809 0.008499248 -0.021509913 -0.001258379 0.001339924 0.000547544 -0.000192195 0.006094362 -0.000593836 0.000947743 0.000435987 0.000361659 0.000774201 0.000195880 -0.000656991 -0.000277559 0.001039114 -0.002527459 -0.001896783 -0.001665863 -0.002025233 0.001567211 0.000130326 -0.000065462 0.000130997 0.001723196 -0.001422132 -0.000244859 -0.000100392 0.000096755 -0.001317613 0.000869211 0.000923323 0.000286102 0.000004760 0.093765603 -0.003935475 0.053547465 -0.001768620 -0.031171752 0.318607000 0.001256252 -0.001328652 0.032816123 0.059026541 0.026181126 -0.000517918 -0.000075523 0.002462632 0.530637521 0.015398746 0.002327377 -0.005767436 -0.033792339 0.017137450 -0.015043994 0.000744072 -0.001325146 -0.004920576 -0.048369835 -0.000089372 0.000785159 0.000414278 0.000176419 -0.057518570 -0.000087865 0.000372701 0.001298390 -0.000550382 0.043181742 0.001483053 0.000432280 -0.001394518 -0.006176515 0.005904875 0.000060213 0.000046130 0.000288145 0.000269247 -0.198644033 -0.001985127 0.000636210 0.000937331 0.000603978 -0.099177012 -0.006605474 -0.000281044 -0.000304759 0.001476357 0.081530233 0.004354606 0.000680369 0.002280728 0.002413722 -0.138076173 0.000649287 -0.000950180 -0.000284823 -0.001537193 0.030317672 -0.001402618 -0.000594354 -0.000177144 0.000676426 -0.041793590 -0.002278043 -0.000432783 -0.001473042 -0.001058968 -0.052732292 -0.000913271 0.000658434 0.000782502 0.000389497 0.007135696 0.002466172 0.000370140 0.000571042 0.000576424 -0.004931648 -0.000278818 0.000010726 -0.000335345 -0.000070289 0.001222707 -0.000184352 -0.000033074 0.000067076 0.000243271 -0.002888146 0.000411273 0.000058360 -0.000449005 -0.000283857 0.000555160 0.572828552 -0.019780436 0.483306139 0.047258234 0.008190751 0.059336255 -0.298891381 -0.026604504 -0.047559909 0.318295252 -0.023478072 -0.045500290 -0.002068938 0.029799779 0.059542101 -0.095381520 0.078682857 0.005041909 0.002966522 -0.002880505 -0.109541745 0.052033431 -0.024698571 -0.011957514 0.013488307 0.051869190 -0.092678655 -0.002905605 -0.001766030 0.001451865 0.009557418 -0.039889801 -0.002465705 0.003797406 -0.001126026 -0.092038242 0.031611590 0.027168178 -0.004381126 0.017722823 0.029393831 -0.111508126 0.001988846 0.005105794 0.002555795 0.005201473 0.012294363 -0.000508189 -0.000950461 0.001003171 0.017676029 -0.007206886 -0.003710351 0.000506776 -0.001460361 -0.007192045 0.016870263 -0.000989079 -0.000674436 -0.000728709 0.015875013 -0.016330050 -0.002199396 0.001115839 -0.002597674 0.002361751 0.008104841 0.000687433 -0.000491344 -0.000527170 0.016175367 -0.005134240 -0.002431843 -0.000457590 -0.002484635 0.215786504 0.103363882 0.112496112 -0.088504037 -0.056808536 0.102862240 -0.018697904 0.010296522 -0.013557057 0.805784583 -0.016469477 0.002694957 -0.009173299 0.051715930 0.331928918 0.020454960 -0.002667891 0.008753798 -0.157139261 -0.236164930 -0.005314744 0.001200452 -0.002194255 -0.570432830 -0.073680176 0.004006357 0.000405931 0.002159808 -0.052355025 -0.092187613 -0.005359376 0.000865262 -0.001036631 0.225633685 0.060040656 0.000824742 -0.000014513 -0.000134038 -0.057514103 -0.003236324 0.001092989 0.000410984 -0.000178520 -0.005204341 -0.141177238 -0.000617643 -0.000593213 0.000427531 -0.001170864 0.111790088 0.454125744 0.199377097 0.641362895 0.046904274 0.061358810 0.063317059 -0.183141706 -0.259704251 -0.049194407 0.197536580 0.010161332 -0.012192428 -0.027104019 0.035810049 0.070282328 0.121583938 -0.010839701 0.009601137 0.006786289 0.014584058 -0.158866827 0.028196199 0.014289841 -0.012602714 -0.023657722 0.143535390 -0.128080822 0.180184884</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000648590 0.000006913 0.000026773 0.000040540 0.000062009 0.000095625 0.000211341 0.000266109 0.000333511 0.000466806 0.000686701 0.000740703 0.000820082 0.000881074 0.001222802 0.001802855 0.002227611 0.002536602 0.002602002 0.002863280 0.003335825 0.003408115 0.003619822 0.005003663 0.005723427 0.006707899 0.007530886 0.008679258 0.010130092 0.011760392 0.014404198 0.017370695 0.021376193 0.021723970 0.022412390 0.023167397 0.023758794 0.024616515 0.027114068 0.029071425 0.029785970 0.030123408 0.030326263 0.032887732 0.033118946 0.034816022 0.036616303 0.037103324 0.038314453 0.040175126 0.040968172 0.043934891 0.045591935 0.047046199 0.048111079 0.048309631 0.048958296 0.049490775 0.050944329 0.052845187 0.054425504 0.055474207 0.057658214 0.060873983 0.061100320 0.064146643 0.064623036 0.065552443 0.066930624 0.067082015 0.067285924 0.068871296 0.071677503 0.072828375 0.073051812 0.073789745 0.075025664 0.076134742 0.076451014 0.076685810 0.077168640 0.078405854 0.080387479 0.081975877 0.082421758 0.082710536 0.083529459 0.083668693 0.083917713 0.084198763 0.084247135 0.084650248 0.084775763 0.085251271 0.085360670 0.085915874 0.088974893 0.110485986 0.115769156 0.314641391 0.335780629 0.340223317 0.340851404 0.341408699 0.342801646 0.342962299 0.344369416 0.345540668 0.345850716 0.346588480 0.347206245 0.353744999 0.355738357 0.356432363 0.358487063 0.358949424 0.360912247 0.360951483 0.361565102 0.364033708 0.364510790 0.364798424 0.367788402 0.368156833 0.369052796 0.385604531</array>
            </module>
         </module>
      </module>
   </module>
</module>
