<?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="-3.21785264" y3="-4.08168614" z3="10.98652697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79418751" y3="-4.99730727" z3="10.75094216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.5403497" y3="-3.73237298" z3="11.9836154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.15374348" y3="-4.37280576" z3="11.06235714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.41778409" y3="-3.00262957" z3="9.92642712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.85255934" y3="-2.08644361" z3="10.16656012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.47589875" y3="-2.68669607" z3="9.89155398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.99764175" y3="-3.46618644" z3="8.5351901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.64984171" y3="-4.29584438" z3="8.19523224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.95511097" y3="-3.82901915" z3="8.54447634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.95634468" y3="-1.7963525" z3="7.18889999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18162098" y3="0.15034287" z3="5.7766766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.18605811" y3="-0.26041896" z3="6.02535295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12614302" y3="1.23999968" z3="5.9973539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.4298469" y3="0.0104018" z3="4.2625163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.65132879" y3="0.57337662" z3="3.70772549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3914794" y3="0.50064002" z3="4.01420244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.48565813" y3="-1.43278714" z3="3.75036108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66752519" y3="-1.41470076" z3="2.65568864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35761486" y3="-1.93233353" z3="4.20960921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24148604" y3="-2.2800472" z3="4.04189841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39549121" y3="-3.28477671" z3="3.60358851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.15385377" y3="-2.42929938" z3="5.1328605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.05780428" y3="-1.69233138" z3="3.49316209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.31512147" y3="-0.74465484" z3="3.99810581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90477678" y3="-2.3853415" z3="3.64626035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.98326342" y3="-1.48327555" z3="2.40815812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86275715" y3="-2.34362588" z3="7.37530602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.20215064" y3="-0.51302632" z3="6.65698461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.25632905" y3="-0.27991947" z3="6.46821337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.11909104" y3="-2.42390183" z3="7.60510627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.14491923" y3="0.84099792" z3="10.69734275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.37295244" y3="1.28844283" z3="11.68304185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.8304918" y3="1.29167508" z3="9.9557402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.38323967" y3="-0.23679274" z3="10.75010197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.31465804" y3="1.05395631" z3="10.30133251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-0.98246821" y3="0.61693554" z3="11.06428332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.536232" y3="2.13960024" z3="10.28425931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.66922814" y3="0.43165686" z3="8.94778748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4361508" y3="-0.64907339" z3="8.95847761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.05174698" y3="0.88414641" z3="8.15126788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.15256136" y3="0.61866772" z3="8.63559046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.01105928" y3="0.21668371" z3="9.42202572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.36707715" y3="1.50551417" z3="7.98020957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" 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 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 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:-3.2179,-4.0817,10.9865;-3.7942,-4.9973,10.7509;-3.5403,-3.7324,11.9836;-2.1537,-4.3728,11.0624;-3.4178,-3.0026,9.9264;-2.8526,-2.0864,10.1666;-4.4759,-2.6867,9.8916;-2.9976,-3.4662,8.5352;-3.6498,-4.2958,8.1952;-1.9551,-3.829,8.5445;-1.9563,-1.7964,7.1889;-1.1816,.1503,5.7767;-.1861,-.2604,6.0254;-1.1261,1.24,5.9974;-1.4298,.0104,4.2625;-.6513,.5734,3.7077;-2.3915,.5006,4.0142;-1.4857,-1.4328,3.7504;-1.6675,-1.4147,2.6557;-2.3576,-1.9323,4.2096;-.2415,-2.28,4.0419;-.3955,-3.2848,3.6036;-.1539,-2.4293,5.1329;1.0578,-1.6923,3.4932;1.3151,-.7447,3.9981;1.9048,-2.3853,3.6463;.9833,-1.4833,2.4082;-.8628,-2.3436,7.3753;-2.2022,-.513,6.657;-3.2563,-.2799,6.4682;-3.1191,-2.4239,7.6051;1.1449,.841,10.6973;1.373,1.2884,11.683;1.8305,1.2917,9.9557;1.3832,-.2368,10.7501;-.3147,1.054,10.3013;-.9825,.6169,11.0643;-.5362,2.1396,10.2843;-.6692,.4317,8.9478;-.4362,-.6491,8.9585;-.0517,.8841,8.1513;-2.1526,.6187,8.6356;-3.0111,.2167,9.422;-2.3671,1.5055,7.9802;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605165804006</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001386443213 0.000170342074 0.025028927396 0.008703710116</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005453456 0.000090169 0.000125216 0.000165127 0.000335101 0.000423026 0.000552684 0.000743631 0.001317756 0.001416323 0.001637655 0.002102294 0.002593969 0.002883333 0.003408115 0.004934130 0.005905614 0.006178185 0.008279181 0.008918018 0.009818691 0.011816889 0.014522011 0.018937452 0.021292573 0.024105108 0.026205541 0.026853732 0.028132971 0.029154037 0.031720705 0.032725264 0.035427250 0.040410884 0.041302946 0.041835622 0.045802950 0.046438317 0.049783620 0.050736077 0.051265454 0.051826919 0.055811164 0.056339947 0.057601439 0.060474500 0.065229872 0.067615166 0.073301251 0.074510411 0.076358681 0.077096279 0.078059647 0.078833698 0.081287521 0.082585538 0.087674099 0.096428970 0.102666145 0.107086408 0.108033848 0.112135413 0.113231915 0.113888150 0.114743308 0.122672925 0.131426236 0.132849834 0.138916017 0.145148861 0.152143200 0.157012604 0.160807347 0.162701766 0.170706554 0.175481949 0.177950943 0.184910507 0.194952970 0.203183643 0.209878117 0.211813060 0.222242501 0.249281666 0.251060414 0.295031242 0.309824068 0.348497551 0.365964162 0.413600383 0.430739380 0.477697220 0.527136299 0.535842081 0.572633557 0.609166997 0.619245881 0.667671641 0.733321717 0.740877387 0.751991462 0.757884210 0.764927090 0.775501951 0.780058502 0.786374679 0.788334782 0.788496078 0.795395245 0.811679549 0.818537456 0.820500865 0.848260726 0.855567954 0.858762020 0.859875164 0.878996354 0.891495781 0.897119007 0.917746793 0.919682454 0.922846034 0.940275773 0.977465347 1.435623675 1.527398046</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="-3.21308904" y3="-4.08072393" z3="10.99190544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79656553" y3="-4.99179229" z3="10.75615489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.5311068" y3="-3.73045839" z3="11.99013158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.15094891" y3="-4.37978087" z3="11.06514921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.40763435" y3="-2.99907457" z3="9.93338799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.83526432" y3="-2.08771538" z3="10.17469849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.46354342" y3="-2.67552565" z3="9.90104447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.9940167" y3="-3.46372558" z3="8.54043639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.64718349" y3="-4.29524214" z3="8.20645818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.95094779" y3="-3.825293" z3="8.54547351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.96105972" y3="-1.79371079" z3="7.18629265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18967804" y3="0.15098341" z3="5.77043898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.19418504" y3="-0.25641838" z3="6.02508239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13922753" y3="1.24080772" z3="5.99317212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42686423" y3="0.01328243" z3="4.25423667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.64414347" y3="0.57675294" z3="3.705864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38673555" y3="0.50399527" z3="3.99983562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.47998378" y3="-1.42942799" z3="3.74055741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65197883" y3="-1.41022376" z3="2.64422619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35659726" y3="-1.92784091" z3="4.19210431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23988301" y3="-2.27888907" z3="4.04296156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.3927776" y3="-3.28393449" z3="3.60492094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.16065405" y3="-2.42664367" z3="5.13491431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.06483366" y3="-1.69502311" z3="3.50291373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.31992442" y3="-0.74647576" z3="4.00738886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90932357" y3="-2.38923503" z3="3.66455241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="0.99926846" y3="-1.48873538" z3="2.41671031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86468547" y3="-2.33607813" z3="7.37856455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.2125237" y3="-0.52048298" z3="6.64043378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.26704432" y3="-0.28488815" z3="6.45784761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.12205517" y3="-2.42466235" z3="7.60868755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.14642894" y3="0.82595391" z3="10.68711054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.38434213" y3="1.2634139" z3="11.67497392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.82672324" y3="1.28127478" z3="9.94353612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.38131951" y3="-0.25318427" z3="10.72728779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.31559174" y3="1.04744608" z3="10.30551459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-0.97848788" y3="0.6047315" z3="11.06947789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.53434971" y3="2.13386179" z3="10.30067128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68126999" y3="0.4387591" z3="8.94863753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45023462" y3="-0.64265218" z3="8.94680905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.0690768" y3="0.89697832" z3="8.15147834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.16471319" y3="0.63313922" z3="8.64907843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.02177933" y3="0.22991957" z3="9.43270407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.38464534" y3="1.5059256" z3="7.97854721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" 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 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 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:-3.2131,-4.0807,10.9919;-3.7966,-4.9918,10.7562;-3.5311,-3.7305,11.9901;-2.1509,-4.3798,11.0651;-3.4076,-2.9991,9.9334;-2.8353,-2.0877,10.1747;-4.4635,-2.6755,9.901;-2.994,-3.4637,8.5404;-3.6472,-4.2952,8.2065;-1.9509,-3.8253,8.5455;-1.9611,-1.7937,7.1863;-1.1897,.151,5.7704;-.1942,-.2564,6.0251;-1.1392,1.2408,5.9932;-1.4269,.0133,4.2542;-.6441,.5768,3.7059;-2.3867,.504,3.9998;-1.48,-1.4294,3.7406;-1.652,-1.4102,2.6442;-2.3566,-1.9278,4.1921;-.2399,-2.2789,4.043;-.3928,-3.2839,3.6049;-.1607,-2.4266,5.1349;1.0648,-1.695,3.5029;1.3199,-.7465,4.0074;1.9093,-2.3892,3.6646;.9993,-1.4887,2.4167;-.8647,-2.3361,7.3786;-2.2125,-.5205,6.6404;-3.267,-.2849,6.4578;-3.1221,-2.4247,7.6087;1.1464,.826,10.6871;1.3843,1.2634,11.675;1.8267,1.2813,9.9435;1.3813,-.2532,10.7273;-.3156,1.0474,10.3055;-.9785,.6047,11.0695;-.5343,2.1339,10.3007;-.6813,.4388,8.9486;-.4502,-.6427,8.9468;-.0691,.897,8.1515;-2.1647,.6331,8.6491;-3.0218,.2299,9.4327;-2.3846,1.5059,7.9785;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605139768026</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000711141964 0.000108026075 0.027549832863 0.008699807261</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.004844897 -0.000007036 0.000113958 0.000162061 0.000324999 0.000420675 0.000549231 0.000692662 0.001297629 0.001391458 0.001636378 0.002088700 0.002593957 0.002882774 0.003406118 0.004934537 0.005872805 0.006177699 0.008279289 0.008911209 0.009811706 0.011816976 0.014519286 0.018937358 0.021290310 0.024105143 0.026205523 0.026853078 0.028132591 0.029153713 0.031720655 0.032724894 0.035427318 0.040409650 0.041302695 0.041835597 0.045801905 0.046436694 0.049781973 0.050736283 0.051265644 0.051826822 0.055811514 0.056339647 0.057598747 0.060474549 0.065230348 0.067615116 0.073300983 0.074509969 0.076358405 0.077095842 0.078059900 0.078833382 0.081287339 0.082586066 0.087673325 0.096429051 0.102666145 0.107086552 0.108033973 0.112136007 0.113231921 0.113888132 0.114743333 0.122672907 0.131426210 0.132849806 0.138915975 0.145149272 0.152143184 0.157012864 0.160807621 0.162702080 0.170711934 0.175483173 0.177952417 0.184910886 0.194953282 0.203184865 0.209878741 0.211813285 0.222257692 0.249302789 0.251065510 0.295031297 0.309824801 0.348497322 0.365973611 0.413600517 0.430739679 0.477697377 0.527136279 0.535842837 0.572633527 0.609167906 0.619248103 0.667675331 0.733322081 0.740891463 0.751991754 0.757885717 0.764928147 0.775502804 0.780058576 0.786375401 0.788335168 0.788496175 0.795395222 0.811683078 0.818537430 0.820501234 0.848260679 0.855568143 0.858762296 0.859876025 0.878996428 0.891495695 0.897121841 0.917747698 0.919685655 0.922846134 0.940276020 0.977465705 1.435726156 1.527414952</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="-3.20287851" y3="-4.07989202" z3="10.99449348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79834484" y3="-4.98417927" z3="10.76209368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.50867533" y3="-3.72780209" z3="11.99601941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.14334528" y3="-4.39070193" z3="11.0582859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.39483108" y3="-2.99430408" z3="9.93954492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.81063682" y3="-2.08986057" z3="10.17849248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.44738675" y3="-2.65897768" z3="9.91658164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-2.9979171" y3="-3.46043319" z3="8.54207683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.65938582" y3="-4.28788695" z3="8.21445607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.95677624" y3="-3.82770912" z3="8.5368617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.96973479" y3="-1.79039043" z3="7.18468629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19801356" y3="0.15282407" z3="5.76718133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20260007" y3="-0.2515147" z3="6.02684426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.15147815" y3="1.24304263" z3="5.98883455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.4270841" y3="0.01329662" z3="4.24997794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.64221002" y3="0.57763618" z3="3.70566149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.386297" y3="0.5023267" z3="3.98985991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.47493307" y3="-1.4298106" z3="3.73689627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63888094" y3="-1.41138295" z3="2.63932676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35434757" y3="-1.92869792" z3="4.18232795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23650011" y3="-2.27812732" z3="4.04908292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38567464" y3="-3.28369462" z3="3.61089941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.16505038" y3="-2.42459576" z3="5.14176522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07193125" y3="-1.69431544" z3="3.5181088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.32232196" y3="-0.74453468" z3="4.0226663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91559376" y3="-2.38755664" z3="3.68810106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.01502354" y3="-1.49045339" z3="2.43094262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87256033" y3="-2.33130329" z3="7.37807951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.22227814" y3="-0.52032536" z3="6.63387413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.27669893" y3="-0.28400881" z3="6.45224279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.12960849" y3="-2.4209232" z3="7.61152542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.14463865" y3="0.81021969" z3="10.67781252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.38741462" y3="1.23586407" z3="11.66958896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.82313331" y3="1.27221314" z3="9.93674675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.3768071" y3="-0.2699751" z3="10.70472479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.31803343" y3="1.03936003" z3="10.30402489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-0.97936503" y3="0.58954968" z3="11.06514839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.53451325" y3="2.12623821" z3="10.31165793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.68835986" y3="0.44538662" z3="8.942129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45607306" y3="-0.63575286" z3="8.92871796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.0790796" y3="0.9121092" z3="8.1476331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.172597" y3="0.6409569" z3="8.64827406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.0274458" y3="0.23840222" z3="9.43425095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.39563087" y3="1.50907134" z3="7.97387248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.2029,-4.0799,10.9945;-3.7983,-4.9842,10.7621;-3.5087,-3.7278,11.996;-2.1433,-4.3907,11.0583;-3.3948,-2.9943,9.9395;-2.8106,-2.0899,10.1785;-4.4474,-2.659,9.9166;-2.9979,-3.4604,8.5421;-3.6594,-4.2879,8.2145;-1.9568,-3.8277,8.5369;-1.9697,-1.7904,7.1847;-1.198,.1528,5.7672;-.2026,-.2515,6.0268;-1.1515,1.243,5.9888;-1.4271,.0133,4.25;-.6422,.5776,3.7057;-2.3863,.5023,3.9899;-1.4749,-1.4298,3.7369;-1.6389,-1.4114,2.6393;-2.3543,-1.9287,4.1823;-.2365,-2.2781,4.0491;-.3857,-3.2837,3.6109;-.1651,-2.4246,5.1418;1.0719,-1.6943,3.5181;1.3223,-.7445,4.0227;1.9156,-2.3876,3.6881;1.015,-1.4905,2.4309;-.8726,-2.3313,7.3781;-2.2223,-.5203,6.6339;-3.2767,-.284,6.4522;-3.1296,-2.4209,7.6115;1.1446,.8102,10.6778;1.3874,1.2359,11.6696;1.8231,1.2722,9.9367;1.3768,-.27,10.7047;-.318,1.0394,10.304;-.9794,.5895,11.0651;-.5345,2.1262,10.3117;-.6884,.4454,8.9421;-.4561,-.6358,8.9287;-.0791,.9121,8.1476;-2.1726,.641,8.6483;-3.0274,.2384,9.4343;-2.3956,1.5091,7.9739;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605152051398</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000543620041 0.000095895311 0.033327431865 0.008705750799</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005054539 0.000093433 0.000134499 0.000172846 0.000343754 0.000423502 0.000558533 0.000744214 0.001319692 0.001408431 0.001639845 0.002099663 0.002594234 0.002882697 0.003406603 0.004938060 0.005889845 0.006177101 0.008279309 0.008915479 0.009815671 0.011816955 0.014522275 0.018937976 0.021293456 0.024105375 0.026205317 0.026854610 0.028133735 0.029155286 0.031720688 0.032725075 0.035427519 0.040410925 0.041303275 0.041835582 0.045802685 0.046439303 0.049783937 0.050735682 0.051265568 0.051827331 0.055811315 0.056340000 0.057603561 0.060475363 0.065230369 0.067615457 0.073304314 0.074512457 0.076359672 0.077097625 0.078061114 0.078834045 0.081287406 0.082585982 0.087678367 0.096429042 0.102667065 0.107086845 0.108034272 0.112135821 0.113232264 0.113888260 0.114743221 0.122673048 0.131426559 0.132849815 0.138915975 0.145149421 0.152147991 0.157013228 0.160807530 0.162702345 0.170713006 0.175482983 0.177952239 0.184910877 0.194955090 0.203185885 0.209878468 0.211827428 0.222256381 0.249301831 0.251074107 0.295032572 0.309826179 0.348497188 0.365973118 0.413600942 0.430740825 0.477697438 0.527136186 0.535842888 0.572633572 0.609172449 0.619248487 0.667675208 0.733322243 0.740895120 0.751992212 0.757889603 0.764928453 0.775506500 0.780061379 0.786375587 0.788335675 0.788497309 0.795395696 0.811685481 0.818537799 0.820506524 0.848260950 0.855569921 0.858762308 0.859876077 0.878996297 0.891496452 0.897125151 0.917748219 0.919691036 0.922846767 0.940276437 0.977465378 1.435765358 1.527417268</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="-3.18786493" y3="-4.0780464" z3="10.99166668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79708658" y3="-4.97509644" z3="10.76626301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.4753479" y3="-3.72401782" z3="11.99818026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.13094667" y3="-4.40113378" z3="11.03983454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.38235035" y3="-2.98853608" z3="9.94127844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.78436086" y3="-2.09131983" z3="10.17367207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.43112181" y3="-2.64033191" z3="9.93384369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.01071224" y3="-3.45721441" z3="8.53735027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.68813564" y3="-4.27450836" z3="8.21648631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.97445725" y3="-3.83834697" z3="8.51783931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.97977089" y3="-1.78730211" z3="7.18356833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.2030636" y3="0.15479153" z3="5.76688392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20785505" y3="-0.24802221" z3="6.02945932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.15773744" y3="1.24563546" z3="5.98518633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42957304" y3="0.00992702" z3="4.24997648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.64564998" y3="0.57501547" z3="3.70522276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38985751" y3="0.49524494" z3="3.98707123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.47187801" y3="-1.43483077" z3="3.74099813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63341913" y3="-1.41986956" z3="2.64313614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3507388" y3="-1.93530229" z3="4.18556576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23160184" y3="-2.27848103" z3="4.05832301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.37567734" y3="-3.28499467" z3="3.62056235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.16377916" y3="-2.42360059" z3="5.1513315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07669288" y3="-1.69060557" z3="3.53179512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3218937" y3="-0.73949459" z3="4.03642474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92199025" y3="-2.38074281" z3="3.70575928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.02336557" y3="-1.48796165" z3="2.44433141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88404969" y3="-2.33095299" z3="7.37686616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.22852741" y3="-0.5152541" z3="6.63469149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.28236596" y3="-0.27718086" z3="6.45176307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14096121" y3="-2.41478682" z3="7.60966693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.14058844" y3="0.80016613" z3="10.67454413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.38202283" y3="1.21847625" z3="11.66958461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.8208244" y3="1.26686269" z3="9.93801389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.37168019" y3="-0.2802554" z3="10.69420438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.3211553" y3="1.03277271" z3="10.29997625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-0.98422879" y3="0.57852872" z3="11.05687046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.53690179" y3="2.11955555" z3="10.31409642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.6897245" y3="0.44750348" z3="8.93421158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45565944" y3="-0.6330942" z3="8.91431301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.08044204" y3="0.92032735" z3="8.1432708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.17456511" y3="0.64233337" z3="8.64057419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.02831899" y3="0.24051024" z3="9.42868207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.39753381" y3="1.51302063" z3="7.96903301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.1879,-4.078,10.9917;-3.7971,-4.9751,10.7663;-3.4753,-3.724,11.9982;-2.1309,-4.4011,11.0398;-3.3824,-2.9885,9.9413;-2.7844,-2.0913,10.1737;-4.4311,-2.6403,9.9338;-3.0107,-3.4572,8.5374;-3.6881,-4.2745,8.2165;-1.9745,-3.8383,8.5178;-1.9798,-1.7873,7.1836;-1.2031,.1548,5.7669;-.2079,-.248,6.0295;-1.1577,1.2456,5.9852;-1.4296,.0099,4.25;-.6456,.575,3.7052;-2.3899,.4952,3.9871;-1.4719,-1.4348,3.741;-1.6334,-1.4199,2.6431;-2.3507,-1.9353,4.1856;-.2316,-2.2785,4.0583;-.3757,-3.285,3.6206;-.1638,-2.4236,5.1513;1.0767,-1.6906,3.5318;1.3219,-.7395,4.0364;1.922,-2.3807,3.7058;1.0234,-1.488,2.4443;-.884,-2.331,7.3769;-2.2285,-.5153,6.6347;-3.2824,-.2772,6.4518;-3.141,-2.4148,7.6097;1.1406,.8002,10.6745;1.382,1.2185,11.6696;1.8208,1.2669,9.938;1.3717,-.2803,10.6942;-.3212,1.0328,10.3;-.9842,.5785,11.0569;-.5369,2.1196,10.3141;-.6897,.4475,8.9342;-.4557,-.6331,8.9143;-.0804,.9203,8.1433;-2.1746,.6423,8.6406;-3.0283,.2405,9.4287;-2.3975,1.513,7.969;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605160799162</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000683764342 0.000125070442 0.032736493149 0.008689764206</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005048503 0.000108860 0.000138402 0.000163550 0.000336559 0.000422409 0.000558046 0.000742788 0.001319688 0.001408407 0.001640383 0.002100564 0.002593956 0.002882678 0.003406621 0.004938903 0.005888705 0.006177267 0.008279296 0.008915536 0.009815569 0.011816959 0.014522548 0.018938115 0.021293972 0.024105344 0.026205486 0.026854309 0.028134963 0.029155091 0.031720680 0.032725057 0.035427497 0.040410596 0.041303340 0.041835565 0.045802926 0.046438700 0.049783654 0.050735631 0.051265629 0.051827314 0.055811275 0.056340450 0.057603606 0.060474861 0.065230259 0.067616406 0.073302814 0.074511567 0.076358843 0.077097910 0.078060812 0.078833832 0.081287476 0.082585939 0.087677865 0.096429133 0.102666939 0.107086812 0.108034193 0.112136000 0.113232178 0.113888302 0.114743154 0.122672985 0.131426682 0.132849966 0.138915953 0.145149297 0.152147130 0.157013376 0.160807415 0.162702495 0.170712964 0.175482872 0.177952515 0.184911416 0.194954372 0.203185199 0.209879698 0.211825220 0.222256285 0.249304953 0.251073405 0.295033510 0.309825958 0.348497923 0.365973313 0.413600945 0.430741080 0.477697439 0.527136183 0.535842954 0.572634078 0.609172069 0.619248909 0.667675491 0.733322256 0.740895162 0.751992886 0.757889711 0.764928461 0.775506289 0.780061402 0.786375558 0.788335637 0.788497340 0.795395628 0.811685284 0.818537949 0.820509277 0.848260944 0.855569852 0.858762280 0.859876145 0.878996311 0.891497133 0.897124410 0.917748158 0.919690689 0.922847177 0.940276519 0.977465893 1.435764644 1.527417348</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="-3.1708727" y3="-4.07418328" z3="10.98948315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78951601" y3="-4.96617599" z3="10.77121697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.44261141" y3="-3.71940687" z3="11.99989975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.11614888" y3="-4.40505985" z3="11.02363491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.37056745" y3="-2.98207661" z3="9.9428075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.76138919" y3="-2.09077767" z3="10.16762519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.41574078" y3="-2.62410472" z3="9.95040239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.02291578" y3="-3.45276396" z3="8.53356614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.71437256" y3="-4.26090559" z3="8.22003539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-1.99164367" y3="-3.84616668" z3="8.50076452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.9904767" y3="-1.78341798" z3="7.18173598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20890131" y3="0.15713864" z3="5.76539602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2139097" y3="-0.24398978" z3="6.03128653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.16482452" y3="1.24871741" z3="5.97989236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.43209521" y3="0.00631586" z3="4.24856019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.64876314" y3="0.57204566" z3="3.70352488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.39337959" y3="0.48772272" z3="3.98205844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46851734" y3="-1.44020709" z3="3.74403956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62728517" y3="-1.42899527" z3="2.64568521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34701836" y3="-1.94228043" z3="4.18770148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22630733" y3="-2.27893332" z3="4.06719684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.36505488" y3="-3.28655092" z3="3.63024757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.16248597" y3="-2.42231133" z3="5.16068137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08201099" y3="-1.68704623" z3="3.54513701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.32169251" y3="-0.73435719" z3="4.04944585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92907853" y3="-2.37390193" z3="3.72372675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.03262155" y3="-1.48609973" z3="2.45713949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89610015" y3="-2.32988765" z3="7.3743557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.23575227" y3="-0.50954892" z3="6.63441462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.28900353" y3="-0.26958177" z3="6.45045233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15270924" y3="-2.40804431" z3="7.60812162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.1366177" y3="0.78731855" z3="10.67170194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.37770072" y3="1.19698569" z3="11.67056201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.81825302" y3="1.25919182" z3="9.93968909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.36636885" y3="-0.29360933" z3="10.68253272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.3246072" y3="1.02474571" z3="10.29750361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-0.98901288" y3="0.56605037" z3="11.050552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.53905609" y3="2.11171617" z3="10.3191755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69252102" y3="0.44908056" z3="8.92748374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45757553" y3="-0.63120085" z3="8.90075527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.08298931" y3="0.92761959" z3="8.14010035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.1776961" y3="0.64472214" z3="8.63388844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03111887" y3="0.24353938" z3="9.42310269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.39976579" y3="1.51806227" z3="7.96508975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.1709,-4.0742,10.9895;-3.7895,-4.9662,10.7712;-3.4426,-3.7194,11.9999;-2.1161,-4.4051,11.0236;-3.3706,-2.9821,9.9428;-2.7614,-2.0908,10.1676;-4.4157,-2.6241,9.9504;-3.0229,-3.4528,8.5336;-3.7144,-4.2609,8.22;-1.9916,-3.8462,8.5008;-1.9905,-1.7834,7.1817;-1.2089,.1571,5.7654;-.2139,-.244,6.0313;-1.1648,1.2487,5.9799;-1.4321,.0063,4.2486;-.6488,.572,3.7035;-2.3934,.4877,3.9821;-1.4685,-1.4402,3.744;-1.6273,-1.429,2.6457;-2.347,-1.9423,4.1877;-.2263,-2.2789,4.0672;-.3651,-3.2866,3.6302;-.1625,-2.4223,5.1607;1.082,-1.687,3.5451;1.3217,-.7344,4.0494;1.9291,-2.3739,3.7237;1.0326,-1.4861,2.4571;-.8961,-2.3299,7.3744;-2.2358,-.5095,6.6344;-3.289,-.2696,6.4505;-3.1527,-2.408,7.6081;1.1366,.7873,10.6717;1.3777,1.197,11.6706;1.8183,1.2592,9.9397;1.3664,-.2936,10.6825;-.3246,1.0247,10.2975;-.989,.5661,11.0506;-.5391,2.1117,10.3192;-.6925,.4491,8.9275;-.4576,-.6312,8.9008;-.083,.9276,8.1401;-2.1777,.6447,8.6339;-3.0311,.2435,9.4231;-2.3998,1.5181,7.9651;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605166466232</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000391957214 0.000073126354 0.038583277918 0.008686787462</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005048228 0.000043979 0.000130545 0.000188135 0.000362417 0.000447041 0.000558577 0.000742777 0.001319827 0.001408526 0.001640794 0.002100573 0.002595807 0.002882976 0.003406628 0.004938873 0.005888485 0.006177247 0.008279224 0.008915736 0.009815545 0.011817228 0.014522503 0.018938083 0.021293749 0.024105354 0.026205451 0.026854249 0.028134936 0.029155031 0.031720689 0.032725051 0.035427583 0.040410471 0.041303339 0.041835544 0.045802894 0.046438647 0.049783649 0.050735444 0.051265584 0.051827308 0.055810612 0.056339587 0.057603270 0.060474358 0.065230019 0.067612340 0.073302133 0.074510925 0.076358035 0.077097636 0.078060564 0.078833704 0.081287335 0.082585734 0.087677855 0.096429150 0.102666902 0.107086818 0.108034011 0.112135946 0.113231225 0.113888245 0.114743049 0.122672908 0.131425466 0.132849607 0.138915732 0.145149145 0.152146657 0.157013280 0.160807230 0.162702523 0.170712996 0.175482695 0.177952446 0.184909456 0.194953740 0.203182455 0.209876866 0.211823852 0.222254864 0.249304614 0.251049290 0.295030392 0.309823631 0.348496945 0.365973421 0.413600901 0.430740940 0.477697335 0.527136194 0.535842956 0.572633523 0.609171616 0.619247551 0.667674715 0.733322137 0.740895294 0.751991983 0.757888534 0.764928457 0.775505871 0.780061496 0.786375526 0.788335420 0.788497319 0.795395542 0.811684624 0.818537176 0.820501358 0.848260928 0.855569766 0.858762211 0.859875985 0.878996188 0.891496778 0.897123465 0.917748068 0.919690260 0.922846488 0.940275878 0.977466260 1.435764592 1.527417392</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="-3.15773801" y3="-4.07678618" z3="10.98497402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8001465" y3="-4.95534848" z3="10.7744047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.40468651" y3="-3.71811225" z3="12.00124443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.10871309" y3="-4.43112546" z3="11.00021777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35200788" y3="-2.97722521" z3="9.9448797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.72280591" y3="-2.09768781" z3="10.16459273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.39044632" y3="-2.59827356" z3="9.96853233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.0337607" y3="-3.45088278" z3="8.52903622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.74354851" y3="-4.24694328" z3="8.2244061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.00891347" y3="-3.86047749" z3="8.48005632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.99733951" y3="-1.78190888" z3="7.18127012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20953368" y3="0.15692477" z3="5.76568425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21553717" y3="-0.24538682" z3="6.03329137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.16411563" y3="1.24856808" z3="5.97924317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.43084001" y3="0.00489853" z3="4.2487674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.64676165" y3="0.57008409" z3="3.70418421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.39169668" y3="0.48613778" z3="3.98069204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46668181" y3="-1.44197541" z3="3.74547938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6242598" y3="-1.43160722" z3="2.64698384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34562338" y3="-1.94383518" z3="4.18858536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22477346" y3="-2.28025012" z3="4.07065346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.36251654" y3="-3.28790391" z3="3.6336475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.16276755" y3="-2.42356405" z3="5.16420044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08414723" y3="-1.68792453" z3="3.55063362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.32294162" y3="-0.73540497" z3="4.0555018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.93100495" y3="-2.3746388" z3="3.73022466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.03631693" y3="-1.4865796" z3="2.46269624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90463332" y3="-2.3312074" z3="7.37524436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.23877657" y3="-0.50699575" z3="6.63413573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29124756" y3="-0.26515354" z3="6.44816862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.1614741" y3="-2.40349974" z3="7.60631353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.12949862" y3="0.78596608" z3="10.67402759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.36876571" y3="1.19676972" z3="11.67239855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.81375242" y3="1.25547391" z3="9.94318479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.35741422" y3="-0.29488389" z3="10.68722675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.33038607" y3="1.02489774" z3="10.29616015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-0.99733273" y3="0.56789353" z3="11.04780022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.54328332" y3="2.11187395" z3="10.31633583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.69610861" y3="0.4488948" z3="8.92615492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46225694" y3="-0.63140464" z3="8.90038321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.08462733" y3="0.92650539" z3="8.13990498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.18082396" y3="0.64559226" z3="8.63004575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.03536896" y3="0.24534694" z3="9.41865141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40067024" y3="1.52054669" z3="7.96215327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.1577,-4.0768,10.985;-3.8001,-4.9553,10.7744;-3.4047,-3.7181,12.0012;-2.1087,-4.4311,11.0002;-3.352,-2.9772,9.9449;-2.7228,-2.0977,10.1646;-4.3904,-2.5983,9.9685;-3.0338,-3.4509,8.529;-3.7435,-4.2469,8.2244;-2.0089,-3.8605,8.4801;-1.9973,-1.7819,7.1813;-1.2095,.1569,5.7657;-.2155,-.2454,6.0333;-1.1641,1.2486,5.9792;-1.4308,.0049,4.2488;-.6468,.5701,3.7042;-2.3917,.4861,3.9807;-1.4667,-1.442,3.7455;-1.6243,-1.4316,2.647;-2.3456,-1.9438,4.1886;-.2248,-2.2803,4.0707;-.3625,-3.2879,3.6336;-.1628,-2.4236,5.1642;1.0841,-1.6879,3.5506;1.3229,-.7354,4.0555;1.931,-2.3746,3.7302;1.0363,-1.4866,2.4627;-.9046,-2.3312,7.3752;-2.2388,-.507,6.6341;-3.2912,-.2652,6.4482;-3.1615,-2.4035,7.6063;1.1295,.786,10.674;1.3688,1.1968,11.6724;1.8138,1.2555,9.9432;1.3574,-.2949,10.6872;-.3304,1.0249,10.2962;-.9973,.5679,11.0478;-.5433,2.1119,10.3163;-.6961,.4489,8.9262;-.4623,-.6314,8.9004;-.0846,.9265,8.1399;-2.1808,.6456,8.63;-3.0354,.2453,9.4187;-2.4007,1.5205,7.9622;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605165419827</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001935922300 0.000358126472 0.029584406506 0.008691721063</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005052224 -0.000152327 0.000140001 0.000194935 0.000377608 0.000531985 0.000661348 0.000743319 0.001324364 0.001413586 0.001647473 0.002102629 0.002643883 0.002883776 0.003406834 0.004939245 0.005890708 0.006177767 0.008279358 0.008918711 0.009815570 0.011817499 0.014522479 0.018938086 0.021294657 0.024105412 0.026205582 0.026854216 0.028134927 0.029155356 0.031720692 0.032725057 0.035427630 0.040410480 0.041303937 0.041835503 0.045805024 0.046438791 0.049783689 0.050735814 0.051265600 0.051827389 0.055810231 0.056339767 0.057603699 0.060474899 0.065231961 0.067610234 0.073301842 0.074511978 0.076360123 0.077098336 0.078061028 0.078833588 0.081292490 0.082588571 0.087678010 0.096429666 0.102666900 0.107086829 0.108034488 0.112136549 0.113230577 0.113888165 0.114742948 0.122672969 0.131430128 0.132850883 0.138915670 0.145150825 0.152146859 0.157014009 0.160807537 0.162702853 0.170713029 0.175482682 0.177952443 0.184908285 0.194987108 0.203196125 0.209930783 0.211824378 0.222255294 0.249349466 0.251186018 0.295053858 0.309834833 0.348516412 0.365980064 0.413605399 0.430746012 0.477701972 0.527137111 0.535849315 0.572647240 0.609174208 0.619248042 0.667674661 0.733322532 0.740896154 0.752003255 0.757913078 0.764929038 0.775509953 0.780070271 0.786375658 0.788335932 0.788504433 0.795395686 0.811688003 0.818541947 0.820557965 0.848261024 0.855570151 0.858762213 0.859879861 0.878996701 0.891518180 0.897152727 0.917748113 0.919690696 0.922850697 0.940277509 0.977468651 1.435766573 1.527417381</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="-3.13318613" y3="-4.07280387" z3="10.98146273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77079919" y3="-4.95193175" z3="10.77384441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.3751021" y3="-3.72016867" z3="11.99899494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.08532201" y3="-4.42111457" z3="10.98969188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.33810168" y3="-2.97210813" z3="9.94500467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.701669" y3="-2.09732585" z3="10.15586114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.37278711" y3="-2.58873133" z3="9.9844801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.04370565" y3="-3.44496365" z3="8.52444357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.76616606" y3="-4.23147559" z3="8.2273646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.02476791" y3="-3.86584245" z3="8.46192105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.00660734" y3="-1.77623537" z3="7.17900491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.21237758" y3="0.15957195" z3="5.76355758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21947376" y3="-0.24321592" z3="6.03466235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.16634605" y3="1.25169715" z3="5.97436867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.43000222" y3="0.00359796" z3="4.24648004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.64409451" y3="0.56681313" z3="3.70253744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38985283" y3="0.48484851" z3="3.97461496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46532803" y3="-1.44450778" z3="3.7465087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61969722" y3="-1.43650314" z3="2.64747899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34600123" y3="-1.94470587" z3="4.18809222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22496354" y3="-2.28311075" z3="4.07730079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.36174789" y3="-3.2913014" z3="3.64114622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.16710988" y3="-2.42483512" z3="5.17135664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08634362" y3="-1.69243184" z3="3.56134897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.32383016" y3="-0.73937603" z3="4.06590567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.93211454" y3="-2.37952338" z3="3.74527745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0429106" y3="-1.49258992" z3="2.47284443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.91528285" y3="-2.32815049" z3="7.37311961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24429873" y3="-0.50052406" z3="6.63180657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29596102" y3="-0.25632373" z3="6.44422283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.17176544" y3="-2.39474481" z3="7.60485376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.1213779" y3="0.77260016" z3="10.67698469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.3599928" y3="1.17594971" z3="11.67916277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.80904235" y3="1.24446964" z3="9.9505841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.3452751" y3="-0.30977436" z3="10.68344212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.3368167" y3="1.01951429" z3="10.29683743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.00724294" y3="0.56093935" z3="11.04459112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.54574808" y3="2.10759366" z3="10.32224721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.70130102" y3="0.45133038" z3="8.92278496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46851931" y3="-0.62942116" z3="8.89227442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.08771086" y3="0.93202331" z3="8.13975635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.18547504" y3="0.65131504" z3="8.62444621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.04183735" y3="0.25331158" z3="9.41250191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40208056" y3="1.52755246" z3="7.95720164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.1332,-4.0728,10.9815;-3.7708,-4.9519,10.7738;-3.3751,-3.7202,11.999;-2.0853,-4.4211,10.9897;-3.3381,-2.9721,9.945;-2.7017,-2.0973,10.1559;-4.3728,-2.5887,9.9845;-3.0437,-3.445,8.5244;-3.7662,-4.2315,8.2274;-2.0248,-3.8658,8.4619;-2.0066,-1.7762,7.179;-1.2124,.1596,5.7636;-.2195,-.2432,6.0347;-1.1663,1.2517,5.9744;-1.43,.0036,4.2465;-.6441,.5668,3.7025;-2.3899,.4848,3.9746;-1.4653,-1.4445,3.7465;-1.6197,-1.4365,2.6475;-2.346,-1.9447,4.1881;-.225,-2.2831,4.0773;-.3617,-3.2913,3.6411;-.1671,-2.4248,5.1714;1.0863,-1.6924,3.5613;1.3238,-.7394,4.0659;1.9321,-2.3795,3.7453;1.0429,-1.4926,2.4728;-.9153,-2.3282,7.3731;-2.2443,-.5005,6.6318;-3.296,-.2563,6.4442;-3.1718,-2.3947,7.6049;1.1214,.7726,10.677;1.36,1.1759,11.6792;1.809,1.2445,9.9506;1.3453,-.3098,10.6834;-.3368,1.0195,10.2968;-1.0072,.5609,11.0446;-.5457,2.1076,10.3222;-.7013,.4513,8.9228;-.4685,-.6294,8.8923;-.0877,.932,8.1398;-2.1855,.6513,8.6244;-3.0418,.2533,9.4125;-2.4021,1.5276,7.9572;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605167478898</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001312769768 0.000299964485 0.048730575148 0.008698425611</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005063567 -0.000491726 0.000140016 0.000197154 0.000377354 0.000539129 0.000738647 0.000853670 0.001339928 0.001435865 0.001671748 0.002106765 0.002883220 0.003026551 0.003421627 0.004943257 0.005892366 0.006178557 0.008280546 0.008929797 0.009817102 0.011817843 0.014522391 0.018938281 0.021295857 0.024105385 0.026205615 0.026854136 0.028134953 0.029155701 0.031720709 0.032725035 0.035428135 0.040410710 0.041305512 0.041835694 0.045806637 0.046439182 0.049783649 0.050736387 0.051266240 0.051828315 0.055810566 0.056337721 0.057602839 0.060473857 0.065233404 0.067606182 0.073301578 0.074511061 0.076358794 0.077097085 0.078060984 0.078833820 0.081300160 0.082594679 0.087678826 0.096432547 0.102666881 0.107086827 0.108034395 0.112136940 0.113230874 0.113888214 0.114743088 0.122672854 0.131435446 0.132852538 0.138916275 0.145153230 0.152148007 0.157013691 0.160807259 0.162703022 0.170713464 0.175483888 0.177952480 0.184950922 0.195107060 0.203230521 0.209995695 0.211828935 0.222253975 0.249395057 0.251365653 0.295082541 0.309859823 0.348567196 0.365998972 0.413644098 0.430934255 0.477752068 0.527144780 0.535949785 0.572757683 0.609176537 0.619248139 0.667677060 0.733322543 0.740896583 0.752027129 0.757975296 0.764930511 0.775516750 0.780145415 0.786375643 0.788359353 0.788545567 0.795395828 0.811695846 0.818543817 0.820600907 0.848261142 0.855571804 0.858762195 0.859886383 0.878997875 0.891571833 0.897190789 0.917748821 0.919693506 0.922854308 0.940278449 0.977469535 1.435768406 1.527417533</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="-3.11853187" y3="-4.07257715" z3="10.97746967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78643243" y3="-4.93775417" z3="10.78518487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.32637153" y3="-3.71013863" z3="12.00258197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.07567736" y3="-4.44875202" z3="10.95871829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.32187684" y3="-2.96727409" z3="9.94545608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.67065169" y3="-2.10101057" z3="10.14991717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.35102602" y3="-2.56881071" z3="9.99847869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.05026709" y3="-3.44230099" z3="8.52120726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.78476619" y3="-4.22014295" z3="8.23173184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.03688037" y3="-3.87409755" z3="8.44710987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.01094647" y3="-1.7737574" z3="7.17848943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.21272011" y3="0.16070366" z3="5.76318775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22034613" y3="-0.2422906" z3="6.03572236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.16620587" y3="1.25306265" z3="5.97249606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42900808" y3="0.00267857" z3="4.24620249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.64233813" y3="0.56489946" z3="3.70238026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38832787" y3="0.48395709" z3="3.97275187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46439349" y3="-1.44598935" z3="3.74779875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61770624" y3="-1.4390976" z3="2.64868626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34569904" y3="-1.94544296" z3="4.18889778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22478401" y3="-2.28473831" z3="4.08056204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.36167399" y3="-3.29336939" z3="3.6454345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.16800748" y3="-2.42524065" z3="5.17470324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08724677" y3="-1.69533557" z3="3.56529939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.32463938" y3="-0.7416878" z3="4.06880523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.93239341" y3="-2.3825829" z3="3.7511042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04514976" y3="-1.49701475" z3="2.47657463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92067376" y3="-2.32717575" z3="7.37366104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24606354" y3="-0.49689652" z3="6.63186155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29720364" y3="-0.25224777" z3="6.44198748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.17714369" y3="-2.39037893" z3="7.60324382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.11179258" y3="0.7673986" z3="10.68202893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.34742892" y3="1.16912594" z3="11.68522315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.80305452" y3="1.23869842" z3="9.95871746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.33374485" y3="-0.31504786" z3="10.68824768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.34453479" y3="1.01731693" z3="10.29717989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.01849043" y3="0.55856868" z3="11.0416683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.55185713" y3="2.1054683" z3="10.32372111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.70496209" y3="0.45218341" z3="8.92110991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47224354" y3="-0.62841381" z3="8.88951463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.08868526" y3="0.93410117" z3="8.1408882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.1885009" y3="0.65295071" z3="8.61840432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.04680502" y3="0.25672821" z3="9.40568269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40200989" y3="1.53111233" z3="7.95228074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.1185,-4.0726,10.9775;-3.7864,-4.9378,10.7852;-3.3264,-3.7101,12.0026;-2.0757,-4.4488,10.9587;-3.3219,-2.9673,9.9455;-2.6707,-2.101,10.1499;-4.351,-2.5688,9.9985;-3.0503,-3.4423,8.5212;-3.7848,-4.2201,8.2317;-2.0369,-3.8741,8.4471;-2.0109,-1.7738,7.1785;-1.2127,.1607,5.7632;-.2203,-.2423,6.0357;-1.1662,1.2531,5.9725;-1.429,.0027,4.2462;-.6423,.5649,3.7024;-2.3883,.484,3.9728;-1.4644,-1.446,3.7478;-1.6177,-1.4391,2.6487;-2.3457,-1.9454,4.1889;-.2248,-2.2847,4.0806;-.3617,-3.2934,3.6454;-.168,-2.4252,5.1747;1.0872,-1.6953,3.5653;1.3246,-.7417,4.0688;1.9324,-2.3826,3.7511;1.0451,-1.497,2.4766;-.9207,-2.3272,7.3737;-2.2461,-.4969,6.6319;-3.2972,-.2522,6.442;-3.1771,-2.3904,7.6032;1.1118,.7674,10.682;1.3474,1.1691,11.6852;1.8031,1.2387,9.9587;1.3337,-.315,10.6882;-.3445,1.0173,10.2972;-1.0185,.5586,11.0417;-.5519,2.1055,10.3237;-.705,.4522,8.9211;-.4722,-.6284,8.8895;-.0887,.9341,8.1409;-2.1885,.653,8.6184;-3.0468,.2567,9.4057;-2.402,1.5311,7.9523;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605163595691</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002155343560 0.000550061346 0.045715335211 0.008703676664</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005070414 -0.000924186 0.000143884 0.000199734 0.000382842 0.000542842 0.000742931 0.000840036 0.001339527 0.001433859 0.001672211 0.002106443 0.002884625 0.003369683 0.004114487 0.004947660 0.005893357 0.006182434 0.008281023 0.008950220 0.009825616 0.011817705 0.014522548 0.018938692 0.021295586 0.024105383 0.026205694 0.026853844 0.028134894 0.029156183 0.031720768 0.032725026 0.035431105 0.040411136 0.041307794 0.041836499 0.045806432 0.046439228 0.049783759 0.050736362 0.051266722 0.051829088 0.055811704 0.056337410 0.057602674 0.060474488 0.065233437 0.067603314 0.073301369 0.074510567 0.076357856 0.077096116 0.078060967 0.078833405 0.081300037 0.082596101 0.087678784 0.096435122 0.102666862 0.107086835 0.108034503 0.112137440 0.113230214 0.113888133 0.114742884 0.122672768 0.131458078 0.132861372 0.138917151 0.145153833 0.152149901 0.157015352 0.160808259 0.162703770 0.170713900 0.175489597 0.177952534 0.185114507 0.195314252 0.203297904 0.210069950 0.211829005 0.222253455 0.249411677 0.251859481 0.295162025 0.309952425 0.348699075 0.366014318 0.413747526 0.431318861 0.477866639 0.527157011 0.536199104 0.573121082 0.609177080 0.619256415 0.667677274 0.733323030 0.740899213 0.752089907 0.758145084 0.764934437 0.775519394 0.780279996 0.786375658 0.788387086 0.788622617 0.795396808 0.811695929 0.818558280 0.820849967 0.848261604 0.855572028 0.858762425 0.859897872 0.878998011 0.891618776 0.897236558 0.917749309 0.919693554 0.922862002 0.940278308 0.977472889 1.435768425 1.527417633</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="-3.10361961" y3="-4.07408621" z3="10.97353638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77067919" y3="-4.93317612" z3="10.77643407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.31362399" y3="-3.71922758" z3="11.99561569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.06752735" y3="-4.45320421" z3="10.95914446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.29820103" y3="-2.96157637" z3="9.94741787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.62493635" y3="-2.10960189" z3="10.146461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.31835079" y3="-2.5396254" z3="10.01601385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.05950162" y3="-3.44010851" z3="8.51678302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.81590439" y3="-4.20333937" z3="8.23885756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.0543923" y3="-3.89160247" z3="8.42385813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.01602771" y3="-1.77208968" z3="7.1780">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.21184188" y3="0.16014178" z3="5.76273509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22055169" y3="-0.24462457" z3="6.03660307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.16350222" y3="1.25244252" z3="5.97184918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42704589" y3="0.00200224" z3="4.24566172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.63932002" y3="0.56297715" z3="3.70207536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3856033" y3="0.48434635" z3="3.9714781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46401041" y3="-1.44690777" z3="3.74819674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61680677" y3="-1.44065268" z3="2.64901779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34606403" y3="-1.94499773" z3="4.18934665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22545815" y3="-2.28671103" z3="4.08221557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.36313207" y3="-3.29552031" z3="3.64777628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.16945424" y3="-2.42650888" z3="5.17651308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0873657" y3="-1.69887012" z3="3.56709911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3254337" y3="-0.74507646" z3="4.069988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.93182712" y3="-2.38669811" z3="3.75367019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04582723" y3="-1.5012476" z3="2.47823371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92741684" y3="-2.32803418" z3="7.37574833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24767433" y3="-0.49538844" z3="6.62985702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29807324" y3="-0.24875289" z3="6.43835222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.18422551" y3="-2.38585845" z3="7.60139393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.10243023" y3="0.76426089" z3="10.68827256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.33548419" y3="1.16634501" z3="11.69185462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.7975651" y3="1.23294109" z3="9.96706691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.3214382" y3="-0.31872011" z3="10.69635505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.35186548" y3="1.0175824" z3="10.29806061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.02969704" y3="0.56090135" z3="11.04019098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.55663349" y3="2.1061511" z3="10.3233731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.70933473" y3="0.45284024" z3="8.92123061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47841101" y3="-0.62812205" z3="8.89026431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.09026759" y3="0.9334565" z3="8.14252122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.19195214" y3="0.65647883" z3="8.61522609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.05262943" y3="0.26260385" z3="9.40078193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40199741" y3="1.53424519" z3="7.94724171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.1036,-4.0741,10.9735;-3.7707,-4.9332,10.7764;-3.3136,-3.7192,11.9956;-2.0675,-4.4532,10.9591;-3.2982,-2.9616,9.9474;-2.6249,-2.1096,10.1465;-4.3184,-2.5396,10.016;-3.0595,-3.4401,8.5168;-3.8159,-4.2033,8.2389;-2.0544,-3.8916,8.4239;-2.016,-1.7721,7.178;-1.2118,.1601,5.7627;-.2206,-.2446,6.0366;-1.1635,1.2524,5.9718;-1.427,.002,4.2457;-.6393,.563,3.7021;-2.3856,.4843,3.9715;-1.464,-1.4469,3.7482;-1.6168,-1.4407,2.649;-2.3461,-1.945,4.1893;-.2255,-2.2867,4.0822;-.3631,-3.2955,3.6478;-.1695,-2.4265,5.1765;1.0874,-1.6989,3.5671;1.3254,-.7451,4.07;1.9318,-2.3867,3.7537;1.0458,-1.5012,2.4782;-.9274,-2.328,7.3757;-2.2477,-.4954,6.6299;-3.2981,-.2488,6.4384;-3.1842,-2.3859,7.6014;1.1024,.7643,10.6883;1.3355,1.1663,11.6919;1.7976,1.2329,9.9671;1.3214,-.3187,10.6964;-.3519,1.0176,10.2981;-1.0297,.5609,11.0402;-.5566,2.1062,10.3234;-.7093,.4528,8.9212;-.4784,-.6281,8.8903;-.0903,.9335,8.1425;-2.192,.6565,8.6152;-3.0526,.2626,9.4008;-2.402,1.5342,7.9472;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605160364228</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003409758030 0.000649392739 0.050366077705 0.008706410735</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005072301 -0.001301450 0.000151914 0.000199386 0.000383243 0.000541931 0.000748886 0.000888745 0.001340130 0.001436612 0.001673836 0.002109889 0.002887207 0.003377546 0.004941490 0.005636720 0.005900099 0.006214400 0.008283707 0.009005833 0.009855408 0.011818748 0.014524412 0.018939467 0.021296069 0.024105444 0.026206488 0.026857568 0.028134850 0.029159480 0.031721058 0.032725048 0.035438645 0.040411190 0.041308123 0.041837267 0.045824388 0.046443695 0.049783741 0.050736250 0.051266669 0.051829294 0.055819431 0.056349218 0.057605129 0.060487136 0.065235412 0.067601511 0.073305712 0.074514319 0.076359515 0.077095167 0.078063337 0.078837466 0.081317813 0.082609741 0.087679994 0.096435083 0.102666854 0.107086840 0.108035392 0.112137367 0.113229885 0.113889121 0.114745212 0.122681689 0.131462492 0.132863697 0.138917318 0.145154474 0.152160219 0.157052036 0.160817011 0.162725210 0.170714638 0.175529399 0.177952540 0.186193272 0.195475459 0.203290416 0.210080799 0.211835404 0.222282284 0.249412211 0.251795689 0.295156200 0.309999154 0.348791844 0.366021004 0.413924014 0.432519095 0.478126082 0.527181217 0.536826658 0.573974872 0.609177750 0.619264370 0.667681165 0.733323054 0.740899366 0.752115897 0.758260166 0.764938769 0.775519375 0.780447300 0.786376480 0.788490100 0.788764043 0.795399946 0.811696434 0.818557904 0.820861344 0.848262346 0.855572390 0.858762794 0.859897969 0.878998177 0.891660056 0.897293332 0.917749351 0.919693522 0.922876927 0.940279924 0.977476268 1.435773267 1.527417525</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="-3.08633556" y3="-4.07440197" z3="10.9691096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78054022" y3="-4.91981473" z3="10.78460261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26325791" y3="-3.71426001" z3="12.00120867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.05451576" y3="-4.4784173" z3="10.92657648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.28184616" y3="-2.95817132" z3="9.94753393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.59915466" y3="-2.11512776" z3="10.13922567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.2944427" y3="-2.52825216" z3="10.02741504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.0637518" y3="-3.43459145" z3="8.51532574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.82689921" y3="-4.18981525" z3="8.24526677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.06590093" y3="-3.89370247" z3="8.41325488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.02040705" y3="-1.76796402" z3="7.17707612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.21077058" y3="0.16124237" z3="5.76186752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22092301" y3="-0.24593909" z3="6.03744782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.15987993" y3="1.25361051" z3="5.96978391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42451481" y3="0.00177257" z3="4.24468464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.63481053" y3="0.56037044" z3="3.70148734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38163968" y3="0.48603679" z3="3.96866422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46399523" y3="-1.44751869" z3="3.74841958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61576198" y3="-1.44179644" z3="2.64904975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34758059" y3="-1.94343952" z3="4.18906711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22746669" y3="-2.28972636" z3="4.08418514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.36683905" y3="-3.2985083" z3="3.65022903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.17286149" y3="-2.42892854" z3="5.1786732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08716531" y3="-1.70498624" z3="3.56994818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.32679112" y3="-0.7514397" z3="4.07253727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.93002295" y3="-2.39451624" z3="3.75777566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04714073" y3="-1.50788212" z3="2.48086373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93295466" y3="-2.32584592" z3="7.37467366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24914677" y3="-0.49031917" z3="6.62913057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29880664" y3="-0.24269259" z3="6.43481933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.18916173" y3="-2.37896285" z3="7.60155051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.09107671" y3="0.75838977" z3="10.69567349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.32184998" y3="1.15894189" z3="11.70066867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.79107772" y3="1.22470445" z3="9.97752015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.30569159" y3="-0.32572687" z3="10.70397183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.36070494" y3="1.01775213" z3="10.29938437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.04346333" y3="0.56365402" z3="11.03864023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.56116217" y3="2.10730205" z3="10.32394457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.71470307" y3="0.45412085" z3="8.92108678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.48547811" y3="-0.62726922" z3="8.89110865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.09180508" y3="0.93350255" z3="8.14454198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.19612569" y3="0.65995442" z3="8.60922142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06004513" y3="0.26853369" z3="9.39299517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40152506" y3="1.53951513" z3="7.94216186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.0863,-4.0744,10.9691;-3.7805,-4.9198,10.7846;-3.2633,-3.7143,12.0012;-2.0545,-4.4784,10.9266;-3.2818,-2.9582,9.9475;-2.5992,-2.1151,10.1392;-4.2944,-2.5283,10.0274;-3.0638,-3.4346,8.5153;-3.8269,-4.1898,8.2453;-2.0659,-3.8937,8.4133;-2.0204,-1.768,7.1771;-1.2108,.1612,5.7619;-.2209,-.2459,6.0374;-1.1599,1.2536,5.9698;-1.4245,.0018,4.2447;-.6348,.5604,3.7015;-2.3816,.486,3.9687;-1.464,-1.4475,3.7484;-1.6158,-1.4418,2.649;-2.3476,-1.9434,4.1891;-.2275,-2.2897,4.0842;-.3668,-3.2985,3.6502;-.1729,-2.4289,5.1787;1.0872,-1.705,3.5699;1.3268,-.7514,4.0725;1.93,-2.3945,3.7578;1.0471,-1.5079,2.4809;-.933,-2.3258,7.3747;-2.2491,-.4903,6.6291;-3.2988,-.2427,6.4348;-3.1892,-2.379,7.6016;1.0911,.7584,10.6957;1.3218,1.1589,11.7007;1.7911,1.2247,9.9775;1.3057,-.3257,10.704;-.3607,1.0178,10.2994;-1.0435,.5637,11.0386;-.5612,2.1073,10.3239;-.7147,.4541,8.9211;-.4855,-.6273,8.8911;-.0918,.9335,8.1445;-2.1961,.66,8.6092;-3.06,.2685,9.393;-2.4015,1.5395,7.9422;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605174570377</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003111370439 0.000600461631 0.045042757020 0.008699117255</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005075442 -0.001066585 0.000151113 0.000202645 0.000383411 0.000543517 0.000752380 0.000917407 0.001342208 0.001441211 0.001685969 0.002118828 0.002891215 0.003377320 0.004941932 0.005884989 0.006138847 0.006551310 0.008306488 0.009128098 0.009916705 0.011820621 0.014526310 0.018939801 0.021297081 0.024105684 0.026209119 0.026879930 0.028137797 0.029174446 0.031722049 0.032725059 0.035446800 0.040414840 0.041308732 0.041837461 0.045852098 0.046453610 0.049783921 0.050736656 0.051267082 0.051829316 0.055823193 0.056355927 0.057605981 0.060491927 0.065235951 0.067600269 0.073306625 0.074512116 0.076359452 0.077109652 0.078069218 0.078855272 0.081349483 0.082631985 0.087682477 0.096435148 0.102666853 0.107086871 0.108035814 0.112137332 0.113237644 0.113894352 0.114755227 0.122699029 0.131473434 0.132867512 0.138917291 0.145155508 0.152176611 0.157115480 0.160818946 0.162738828 0.170715182 0.175552210 0.177952537 0.187088170 0.195734776 0.203293129 0.210077427 0.211837369 0.222305787 0.249411903 0.251808531 0.295170877 0.310098785 0.348940276 0.366025858 0.414098005 0.433579263 0.478411321 0.527197154 0.537499517 0.575147951 0.609177767 0.619300360 0.667681016 0.733324228 0.740899892 0.752197932 0.758547613 0.764946995 0.775520095 0.780664102 0.786376640 0.788534756 0.789071250 0.795401918 0.811696398 0.818562015 0.820985446 0.848263597 0.855573805 0.858762954 0.859905308 0.878998272 0.891675943 0.897303769 0.917749392 0.919693320 0.922880340 0.940280552 0.977477987 1.435780060 1.527417362</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="-3.07121464" y3="-4.07545846" z3="10.96520492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77337542" y3="-4.9121355" z3="10.78640073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23973568" y3="-3.7154337" z3="11.99474136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.04757063" y3="-4.48797816" z3="10.91862504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.2592873" y3="-2.95454236" z3="9.94730472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.5541119" y3="-2.1256001" z3="10.13129849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.2631553" y3="-2.50031357" z3="10.04474976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07203" y3="-3.43409938" z3="8.50999958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.85584954" y3="-4.17512979" z3="8.25078481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.08238381" y3="-3.91214424" z3="8.39057856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.02315104" y3="-1.76685175" z3="7.17667477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20872553" y3="0.16099658" z3="5.76152346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21967677" y3="-0.24747747" z3="6.03804216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.15657632" y3="1.25330402" z3="5.96980853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42125077" y3="0.00234974" z3="4.24408634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.62969465" y3="0.55910411" z3="3.70171133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37692493" y3="0.48895519" z3="3.96726851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46400038" y3="-1.44679637" z3="3.74772349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61497464" y3="-1.44072787" z3="2.6482646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34911642" y3="-1.94047171" z3="4.18778363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22986134" y3="-2.29206934" z3="4.08439075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.37170554" y3="-3.30068971" z3="3.65083232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.17598042" y3="-2.43092841" z3="5.17892275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08647116" y3="-1.71102462" z3="3.57041297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.32853156" y3="-0.75798833" z3="4.07283531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92738692" y3="-2.40280949" z3="3.75857492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04721251" y3="-1.51408291" z3="2.4813087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93705807" y3="-2.32661714" z3="7.37740819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24916216" y3="-0.48960587" z3="6.62691098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29818709" y3="-0.24056276" z3="6.43112881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.19391772" y3="-2.37557752" z3="7.59917523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.08060674" y3="0.75709265" z3="10.70338469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.30848503" y3="1.15869945" z3="11.7084273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.78411337" y3="1.22070711" z3="9.98695266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.29290606" y3="-0.32726596" z3="10.71418191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.36906173" y3="1.01899223" z3="10.30187743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.0553496" y3="0.56674902" z3="11.03905853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.56761094" y3="2.10886059" z3="10.32491128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.71942662" y3="0.45518883" z3="8.92274847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49072565" y3="-0.6263904" z3="8.89355829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.09430618" y3="0.93396746" z3="8.14752445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.19994692" y3="0.6623233" z3="8.60756369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.06595002" y3="0.27152149" z3="9.38888043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40301947" y3="1.54134845" z3="7.93882802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.0712,-4.0755,10.9652;-3.7734,-4.9121,10.7864;-3.2397,-3.7154,11.9947;-2.0476,-4.488,10.9186;-3.2593,-2.9545,9.9473;-2.5541,-2.1256,10.1313;-4.2632,-2.5003,10.0447;-3.072,-3.4341,8.51;-3.8558,-4.1751,8.2508;-2.0824,-3.9121,8.3906;-2.0232,-1.7669,7.1767;-1.2087,.161,5.7615;-.2197,-.2475,6.038;-1.1566,1.2533,5.9698;-1.4213,.0023,4.2441;-.6297,.5591,3.7017;-2.3769,.489,3.9673;-1.464,-1.4468,3.7477;-1.615,-1.4407,2.6483;-2.3491,-1.9405,4.1878;-.2299,-2.2921,4.0844;-.3717,-3.3007,3.6508;-.176,-2.4309,5.1789;1.0865,-1.711,3.5704;1.3285,-.758,4.0728;1.9274,-2.4028,3.7586;1.0472,-1.5141,2.4813;-.9371,-2.3266,7.3774;-2.2492,-.4896,6.6269;-3.2982,-.2406,6.4311;-3.1939,-2.3756,7.5992;1.0806,.7571,10.7034;1.3085,1.1587,11.7084;1.7841,1.2207,9.987;1.2929,-.3273,10.7142;-.3691,1.019,10.3019;-1.0553,.5667,11.0391;-.5676,2.1089,10.3249;-.7194,.4552,8.9227;-.4907,-.6264,8.8936;-.0943,.934,8.1475;-2.1999,.6623,8.6076;-3.066,.2715,9.3889;-2.403,1.5413,7.9388;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605189092685</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002040224213 0.000468817377 0.044647863896 0.008699846338</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005079901 -0.000698608 0.000153280 0.000203031 0.000383385 0.000543847 0.000753412 0.000920291 0.001342349 0.001441563 0.001691231 0.002123304 0.002891095 0.003377270 0.004941891 0.005886625 0.006164598 0.006932835 0.008332566 0.009259338 0.010008163 0.011823434 0.014527020 0.018940110 0.021297475 0.024106101 0.026212419 0.026915642 0.028146491 0.029196433 0.031723156 0.032725077 0.035451524 0.040423476 0.041314750 0.041841811 0.045886383 0.046468276 0.049784050 0.050737095 0.051267884 0.051829583 0.055827932 0.056361912 0.057607332 0.060499559 0.065236896 0.067635886 0.073307894 0.074513116 0.076363448 0.077131932 0.078074967 0.078880958 0.081384612 0.082664682 0.087685324 0.096435911 0.102666850 0.107086901 0.108037727 0.112137305 0.113242705 0.113901061 0.114770654 0.122733014 0.131471543 0.132866990 0.138917285 0.145156687 0.152188909 0.157180493 0.160818962 0.162743258 0.170715540 0.175569736 0.177952545 0.187795662 0.195819582 0.203304154 0.210158815 0.211846487 0.222331014 0.249414318 0.251973182 0.295188012 0.310095263 0.348944364 0.366026567 0.414139735 0.434112057 0.478528332 0.527203619 0.537824227 0.575768054 0.609177807 0.619319923 0.667680868 0.733324580 0.740899918 0.752210677 0.758599775 0.764948135 0.775520114 0.780717474 0.786377013 0.788611980 0.789320813 0.795404237 0.811696845 0.818571261 0.821076988 0.848263598 0.855574481 0.858763007 0.859905398 0.878998417 0.891830789 0.897522068 0.917749646 0.919693276 0.922918557 0.940280054 0.977491629 1.435786128 1.527417476</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="-3.05467112" y3="-4.07657475" z3="10.96017361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77862908" y3="-4.89873024" z3="10.79104021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.19508781" y3="-3.71461358" z3="11.99606055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.03833242" y3="-4.51273901" z3="10.89198484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.23981749" y3="-2.95071643" z3="9.947131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.52343219" y3="-2.13273858" z3="10.12394834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.23415836" y3="-2.4862912" z3="10.05380329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07616778" y3="-3.42963921" z3="8.50796988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.86958979" y3="-4.16078752" z3="8.25812953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.09493741" y3="-3.91785481" z3="8.37757655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.02637887" y3="-1.76411366" z3="7.17584689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20582878" y3="0.16125546" z3="5.76171619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21844469" y3="-0.25042333" z3="6.03950622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.15060343" y3="1.25331849" z3="5.97018478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.41705294" y3="0.0034483" z3="4.24401834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.62269612" y3="0.55725563" z3="3.7026894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3705245" y3="0.49374475" z3="3.96601693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46474235" y3="-1.44545197" z3="3.74733694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61461246" y3="-1.43856832" z3="2.64771697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35218701" y3="-1.93588494" z3="4.1863933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23412846" y3="-2.29551172" z3="4.08495626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.37973854" y3="-3.30370994" z3="3.65165441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.18132206" y3="-2.43421882" z3="5.17958063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08474965" y3="-1.71981241" z3="3.57141718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3302657" y3="-0.76752814" z3="4.07359506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92288446" y3="-2.41482567" z3="3.76026436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04679927" y3="-1.52314213" z3="2.48218989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94163339" y3="-2.32594611" z3="7.37729153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24924326" y3="-0.48612448" z3="6.62607249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29746463" y3="-0.2360021" z3="6.42724025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.19813641" y3="-2.37019629" z3="7.59829546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.06873489" y3="0.75574289" z3="10.71201357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.29343502" y3="1.15824765" z3="11.71749139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.77632116" y3="1.21675664" z3="9.99788989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.27851123" y3="-0.32915106" z3="10.72523824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.37872197" y3="1.02026128" z3="10.30400328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.06915809" y3="0.56984108" z3="11.0384231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.57515476" y3="2.11055391" z3="10.32544849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.72461509" y3="0.45617395" z3="8.92389822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49701351" y3="-0.62563391" z3="8.8963336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.09589197" y3="0.9336272" z3="8.15078633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.20398926" y3="0.66481631" z3="8.602807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07321281" y3="0.27627805" z3="9.38207014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40274437" y3="1.54499606" z3="7.93416833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.0547,-4.0766,10.9602;-3.7786,-4.8987,10.791;-3.1951,-3.7146,11.9961;-2.0383,-4.5127,10.892;-3.2398,-2.9507,9.9471;-2.5234,-2.1327,10.1239;-4.2342,-2.4863,10.0538;-3.0762,-3.4296,8.508;-3.8696,-4.1608,8.2581;-2.0949,-3.9179,8.3776;-2.0264,-1.7641,7.1758;-1.2058,.1613,5.7617;-.2184,-.2504,6.0395;-1.1506,1.2533,5.9702;-1.4171,.0034,4.244;-.6227,.5573,3.7027;-2.3705,.4937,3.966;-1.4647,-1.4455,3.7473;-1.6146,-1.4386,2.6477;-2.3522,-1.9359,4.1864;-.2341,-2.2955,4.085;-.3797,-3.3037,3.6517;-.1813,-2.4342,5.1796;1.0847,-1.7198,3.5714;1.3303,-.7675,4.0736;1.9229,-2.4148,3.7603;1.0468,-1.5231,2.4822;-.9416,-2.3259,7.3773;-2.2492,-.4861,6.6261;-3.2975,-.236,6.4272;-3.1981,-2.3702,7.5983;1.0687,.7557,10.712;1.2934,1.1582,11.7175;1.7763,1.2168,9.9979;1.2785,-.3292,10.7252;-.3787,1.0203,10.304;-1.0692,.5698,11.0384;-.5752,2.1106,10.3254;-.7246,.4562,8.9239;-.497,-.6256,8.8963;-.0959,.9336,8.1508;-2.204,.6648,8.6028;-3.0732,.2763,9.3821;-2.4027,1.545,7.9342;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605204426526</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002529314799 0.000420656649 0.045904135849 0.008704832867</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005083503 -0.000571342 0.000157336 0.000202028 0.000383903 0.000544825 0.000753521 0.000928510 0.001343115 0.001442510 0.001693076 0.002123874 0.002891200 0.003377256 0.004941836 0.005886946 0.006168926 0.007147192 0.008343562 0.009344282 0.010097296 0.011824786 0.014527257 0.018940953 0.021297320 0.024108131 0.026218556 0.026979588 0.028168244 0.029234797 0.031724416 0.032725226 0.035453380 0.040433488 0.041326482 0.041852703 0.045901252 0.046475615 0.049784117 0.050736905 0.051268507 0.051829837 0.055829257 0.056363163 0.057607151 0.060500792 0.065236955 0.067647167 0.073307645 0.074519612 0.076375689 0.077155798 0.078079692 0.078897149 0.081400578 0.082672153 0.087686218 0.096438323 0.102666880 0.107086914 0.108037653 0.112137399 0.113258957 0.113909990 0.114786189 0.122754722 0.131473959 0.132868088 0.138917242 0.145156735 0.152200456 0.157242159 0.160818979 0.162743139 0.170716032 0.175574378 0.177952523 0.188053722 0.195949802 0.203300544 0.210145627 0.211847117 0.222341656 0.249413977 0.251932667 0.295185073 0.310114045 0.348975178 0.366030931 0.414176501 0.434369382 0.478609415 0.527208733 0.538068735 0.576490618 0.609178272 0.619397827 0.667689674 0.733326662 0.740900795 0.752261467 0.758764533 0.764951663 0.775520253 0.780776853 0.786377383 0.788639194 0.789547941 0.795405205 0.811697064 0.818570854 0.821074920 0.848263702 0.855574463 0.858763136 0.859913783 0.878998685 0.891860838 0.897549044 0.917749610 0.919693691 0.922922237 0.940280471 0.977493323 1.435788562 1.527417341</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="-3.04143866" y3="-4.07931427" z3="10.95564251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77759104" y3="-4.8900752" z3="10.79315178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.16897301" y3="-3.71764819" z3="11.9907786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.03434638" y3="-4.52752262" z3="10.88015321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.21729379" y3="-2.94845727" z3="9.94651534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.47752806" y3="-2.14675042" z3="10.11610058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.20126632" y3="-2.45778644" z3="10.07050074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08262922" y3="-3.42836869" z3="8.50400948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.8920672" y3="-4.1466742" z3="8.26468916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.11016737" y3="-3.93230337" z3="8.35912454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.02878901" y3="-1.76281659" z3="7.17537017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20305489" y3="0.16088421" z3="5.76175244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21691619" y3="-0.2531086" z3="6.04050503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1456752" y3="1.25273707" z3="5.97101574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.41292243" y3="0.00464367" z3="4.24369934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.61606438" y3="0.55601856" z3="3.70362665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.36437746" y3="0.49834959" z3="3.96483432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46510333" y3="-1.4438412" z3="3.74624687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6138648" y3="-1.43599816" z3="2.64649016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35464449" y3="-1.93134672" z3="4.18423552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2377933" y3="-2.29827425" z3="4.08472312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38675989" y3="-3.30598652" z3="3.65138575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.18605647" y3="-2.43705126" z3="5.17938171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08344353" y3="-1.727372" z3="3.57194966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33202538" y3="-0.77587003" z3="4.07413848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91898334" y3="-2.42531627" z3="3.76141571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04683749" y3="-1.53078544" z3="2.48267262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94538838" y3="-2.32665913" z3="7.37895615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24893429" y3="-0.48501736" z3="6.624104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29644447" y3="-0.23353723" z3="6.4233991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.20212072" y3="-2.36636171" z3="7.5970323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.05825615" y3="0.75656925" z3="10.71917394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.27997013" y3="1.15884744" z3="11.72552433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.76818884" y3="1.21744838" z3="10.00729979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.26758507" y3="-0.32847614" z3="10.73283154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.38773491" y3="1.02177973" z3="10.30665149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.08074505" y3="0.57196627" z3="11.03897923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.58366256" y3="2.11219808" z3="10.32720417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.72981035" y3="0.45746268" z3="8.92567522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50273113" y3="-0.62450918" z3="8.89911412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.09858657" y3="0.93424045" z3="8.15415084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.20817768" y3="0.66713159" z3="8.6004901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.07979687" y3="0.27930706" z3="9.37710868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40419584" y3="1.54703176" z3="7.93056861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.0414,-4.0793,10.9556;-3.7776,-4.8901,10.7932;-3.169,-3.7176,11.9908;-2.0343,-4.5275,10.8802;-3.2173,-2.9485,9.9465;-2.4775,-2.1468,10.1161;-4.2013,-2.4578,10.0705;-3.0826,-3.4284,8.504;-3.8921,-4.1467,8.2647;-2.1102,-3.9323,8.3591;-2.0288,-1.7628,7.1754;-1.2031,.1609,5.7618;-.2169,-.2531,6.0405;-1.1457,1.2527,5.971;-1.4129,.0046,4.2437;-.6161,.556,3.7036;-2.3644,.4983,3.9648;-1.4651,-1.4438,3.7462;-1.6139,-1.436,2.6465;-2.3546,-1.9313,4.1842;-.2378,-2.2983,4.0847;-.3868,-3.306,3.6514;-.1861,-2.4371,5.1794;1.0834,-1.7274,3.5719;1.332,-.7759,4.0741;1.919,-2.4253,3.7614;1.0468,-1.5308,2.4827;-.9454,-2.3267,7.379;-2.2489,-.485,6.6241;-3.2964,-.2335,6.4234;-3.2021,-2.3664,7.597;1.0583,.7566,10.7192;1.28,1.1588,11.7255;1.7682,1.2174,10.0073;1.2676,-.3285,10.7328;-.3877,1.0218,10.3067;-1.0807,.572,11.039;-.5837,2.1122,10.3272;-.7298,.4575,8.9257;-.5027,-.6245,8.8991;-.0986,.9342,8.1542;-2.2082,.6671,8.6005;-3.0798,.2793,9.3771;-2.4042,1.547,7.9306;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605216979317</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002751736790 0.000490936075 0.041590047904 0.008706646459</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005090023 -0.000700938 0.000159057 0.000202039 0.000384411 0.000544899 0.000755523 0.000931272 0.001343824 0.001442258 0.001693480 0.002123878 0.002891288 0.003377421 0.004943521 0.005887739 0.006173009 0.007327589 0.008348402 0.009389313 0.010152705 0.011826241 0.014527295 0.018946138 0.021297804 0.024116962 0.026232156 0.027116199 0.028227428 0.029322295 0.031725771 0.032725723 0.035453039 0.040454083 0.041357913 0.041884101 0.045919107 0.046487524 0.049784211 0.050736842 0.051269290 0.051829959 0.055833224 0.056366567 0.057607392 0.060506302 0.065236913 0.067667598 0.073308396 0.074517004 0.076373730 0.077164081 0.078085288 0.078912917 0.081422651 0.082696276 0.087687318 0.096449476 0.102666883 0.107086928 0.108038037 0.112137761 0.113275020 0.113919895 0.114804724 0.122772509 0.131474245 0.132867929 0.138917174 0.145156806 0.152217166 0.157321907 0.160818895 0.162743284 0.170716085 0.175582226 0.177952516 0.188342465 0.195971037 0.203304163 0.210183307 0.211855808 0.222354717 0.249414104 0.252003630 0.295193567 0.310110423 0.348971487 0.366032247 0.414179370 0.434463512 0.478634307 0.527213669 0.538206890 0.577198256 0.609179236 0.619538095 0.667716205 0.733329057 0.740900966 0.752275295 0.758797070 0.764951783 0.775520533 0.780776482 0.786377937 0.788704866 0.789651578 0.795405413 0.811698719 0.818580088 0.821223085 0.848263872 0.855574480 0.858764639 0.859915076 0.878999020 0.892010845 0.897761319 0.917749666 0.919694527 0.922947213 0.940279809 0.977498141 1.435788895 1.527416980</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="-3.02595554" y3="-4.07963564" z3="10.95209349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78359676" y3="-4.87454795" z3="10.79964677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.12738296" y3="-3.71592756" z3="11.99169259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.02809551" y3="-4.55230228" z3="10.85720675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.19594626" y3="-2.94471769" z3="9.94671676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.44678426" y3="-2.15475268" z3="10.1081764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.16904858" y3="-2.44678718" z3="10.07771602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08684998" y3="-3.4246255" z3="8.50228411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.91115345" y3="-4.13020531" z3="8.27440225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.12407283" y3="-3.94320355" z3="8.34279702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.03112305" y3="-1.76091965" z3="7.17488667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19955849" y3="0.16073191" z3="5.76233897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21494763" y3="-0.2563912" z3="6.04185965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13913525" y3="1.25229108" z3="5.97213866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.40859178" y3="0.00590623" z3="4.24406107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.60917571" y3="0.55461556" z3="3.70505507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.35791797" y3="0.50331027" z3="3.96453938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46571792" y3="-1.44206579" z3="3.74566261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61359864" y3="-1.43296689" z3="2.64579752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35742345" y3="-1.92657653" z3="4.18260114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24184961" y3="-2.30125622" z3="4.08447405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39450416" y3="-3.30831076" z3="3.65088896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.19101155" y3="-2.44040386" z3="5.17911237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08175724" y3="-1.73531649" z3="3.57234324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33375115" y3="-0.78483685" z3="4.07475383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91451945" y3="-2.43647709" z3="3.7620839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04636704" y3="-1.53846757" z3="2.48309104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94920292" y3="-2.32724481" z3="7.37884613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24812061" y3="-0.48221579" z3="6.62379089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29485183" y3="-0.22971256" z3="6.42023462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.20550568" y3="-2.36144238" z3="7.59663192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.04677584" y3="0.75694499" z3="10.7270499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.26503124" y3="1.16031382" z3="11.73354623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.75951081" y3="1.21669844" z3="10.01727941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.25576339" y3="-0.32800748" z3="10.74279278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.39766525" y3="1.02229209" z3="10.30903422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.09370015" y3="0.57305605" z3="11.03887772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.59330087" y3="2.11274978" z3="10.32829449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.73494803" y3="0.45752199" z3="8.92714381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.50889069" y3="-0.62468007" z3="8.90230566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.09990847" y3="0.93296571" z3="8.15787182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.21195944" y3="0.66916236" z3="8.59539852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.08757704" y3="0.28442301" z3="9.36947394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40276561" y3="1.55040135" z3="7.92538046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.026,-4.0796,10.9521;-3.7836,-4.8745,10.7996;-3.1274,-3.7159,11.9917;-2.0281,-4.5523,10.8572;-3.1959,-2.9447,9.9467;-2.4468,-2.1548,10.1082;-4.169,-2.4468,10.0777;-3.0868,-3.4246,8.5023;-3.9112,-4.1302,8.2744;-2.1241,-3.9432,8.3428;-2.0311,-1.7609,7.1749;-1.1996,.1607,5.7623;-.2149,-.2564,6.0419;-1.1391,1.2523,5.9721;-1.4086,.0059,4.2441;-.6092,.5546,3.7051;-2.3579,.5033,3.9645;-1.4657,-1.4421,3.7457;-1.6136,-1.433,2.6458;-2.3574,-1.9266,4.1826;-.2418,-2.3013,4.0845;-.3945,-3.3083,3.6509;-.191,-2.4404,5.1791;1.0818,-1.7353,3.5723;1.3338,-.7848,4.0748;1.9145,-2.4365,3.7621;1.0464,-1.5385,2.4831;-.9492,-2.3272,7.3788;-2.2481,-.4822,6.6238;-3.2949,-.2297,6.4202;-3.2055,-2.3614,7.5966;1.0468,.7569,10.727;1.265,1.1603,11.7335;1.7595,1.2167,10.0173;1.2558,-.328,10.7428;-.3977,1.0223,10.309;-1.0937,.5731,11.0389;-.5933,2.1127,10.3283;-.7349,.4575,8.9271;-.5089,-.6247,8.9023;-.0999,.933,8.1579;-2.212,.6692,8.5954;-3.0876,.2844,9.3695;-2.4028,1.5504,7.9254;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605229029472</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004696081421 0.000627156030 0.049724626633 0.008703116520</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005101970 -0.001490352 0.000159083 0.000203094 0.000388788 0.000548218 0.000784722 0.000936641 0.001345125 0.001443550 0.001696681 0.002139055 0.002891374 0.003377435 0.004948470 0.005889779 0.006173290 0.007548664 0.008347710 0.009398727 0.010161560 0.011827103 0.014530719 0.018968763 0.021300696 0.024153286 0.026254998 0.027458501 0.028474693 0.029774143 0.031728752 0.032726687 0.035474654 0.040506777 0.041454458 0.042060046 0.045939143 0.046505331 0.049784386 0.050736788 0.051270271 0.051830124 0.055837811 0.056370505 0.057607276 0.060510981 0.065236754 0.067663176 0.073308848 0.074515615 0.076373115 0.077169517 0.078090262 0.078922537 0.081433035 0.082706882 0.087687288 0.096496977 0.102666896 0.107086967 0.108037853 0.112138585 0.113307952 0.113931785 0.114821533 0.122771432 0.131494621 0.132871639 0.138917491 0.145156939 0.152253558 0.157462156 0.160820063 0.162743013 0.170716094 0.175586017 0.177952528 0.188461149 0.196010827 0.203297392 0.210165452 0.211856351 0.222357731 0.249413714 0.251956169 0.295188429 0.310111746 0.348975344 0.366036434 0.414182214 0.434471650 0.478650552 0.527217366 0.538393258 0.578923991 0.609181934 0.620112794 0.667851564 0.733339006 0.740904252 0.752349910 0.758952591 0.764952682 0.775520585 0.780776156 0.786378451 0.788770505 0.789703204 0.795405444 0.811698965 0.818582087 0.821276338 0.848264545 0.855574952 0.858768132 0.859933793 0.878999252 0.892063212 0.897819786 0.917749590 0.919694754 0.922947709 0.940279666 0.977497941 1.435789628 1.527417208</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="-3.01453514" y3="-4.08340883" z3="10.94664127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78192193" y3="-4.86668301" z3="10.80053565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.10221692" y3="-3.7216948" z3="11.98600418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.02644333" y3="-4.56598333" z3="10.84440902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.17540982" y3="-2.94280511" z3="9.94574905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.39705964" y3="-2.17246436" z3="10.10078007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.13693315" y3="-2.41091802" z3="10.096828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09131464" y3="-3.4214833" z3="8.50013916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.91873088" y3="-4.11995132" z3="8.28068188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.13653023" y3="-3.94543867" z3="8.33467324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.03406261" y3="-1.75890949" z3="7.17326294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.1974883" y3="0.16062772" z3="5.76137759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21430734" y3="-0.25903063" z3="6.04222741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13473729" y3="1.25194707" z3="5.97189359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.40481033" y3="0.00707911" z3="4.24273609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.60273973" y3="0.55309596" z3="3.70494907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.35204095" y3="0.50788971" z3="3.96208331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46644317" y3="-1.44061372" z3="3.7440749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61318908" y3="-1.43088436" z3="2.64406314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36025439" y3="-1.92198612" z3="4.18014295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24593875" y3="-2.30415506" z3="4.08405852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40181495" y3="-3.31071059" z3="3.65044749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.19643794" y3="-2.44334758" z3="5.17877913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08008249" y3="-1.74297897" z3="3.57294167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33505191" y3="-0.79340577" z3="4.07556714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91020354" y3="-2.44711384" z3="3.76332339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04622179" y3="-1.54599707" z3="2.48364742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95307401" y3="-2.32676684" z3="7.37852825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24876758" y3="-0.48074043" z3="6.62055444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29476825" y3="-0.22635514" z3="6.41581438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.20943754" y3="-2.35729328" z3="7.5957605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.0354955" y3="0.75570012" z3="10.73486446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.25080895" y3="1.15899257" z3="11.74213498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.75121215" y3="1.21456838" z3="10.02748637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.2430918" y3="-0.32963888" z3="10.7515308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.40720046" y3="1.02264492" z3="10.31171431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.10640879" y3="0.57445075" z3="11.03915967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.60158219" y3="2.11338013" z3="10.32989844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.74076061" y3="0.45781433" z3="8.92898846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51668786" y3="-0.62485902" z3="8.90542487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.10226014" y3="0.93147211" z3="8.16149966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.216264" y3="0.6725101" z3="8.59264962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.09505421" y3="0.28960833" z3="9.36357242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40290375" y3="1.55322356" z3="7.92077393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.0145,-4.0834,10.9466;-3.7819,-4.8667,10.8005;-3.1022,-3.7217,11.986;-2.0264,-4.566,10.8444;-3.1754,-2.9428,9.9457;-2.3971,-2.1725,10.1008;-4.1369,-2.4109,10.0968;-3.0913,-3.4215,8.5001;-3.9187,-4.12,8.2807;-2.1365,-3.9454,8.3347;-2.0341,-1.7589,7.1733;-1.1975,.1606,5.7614;-.2143,-.259,6.0422;-1.1347,1.2519,5.9719;-1.4048,.0071,4.2427;-.6027,.5531,3.7049;-2.352,.5079,3.9621;-1.4664,-1.4406,3.7441;-1.6132,-1.4309,2.6441;-2.3603,-1.922,4.1801;-.2459,-2.3042,4.0841;-.4018,-3.3107,3.6504;-.1964,-2.4433,5.1788;1.0801,-1.743,3.5729;1.3351,-.7934,4.0756;1.9102,-2.4471,3.7633;1.0462,-1.546,2.4836;-.9531,-2.3268,7.3785;-2.2488,-.4807,6.6206;-3.2948,-.2264,6.4158;-3.2094,-2.3573,7.5958;1.0355,.7557,10.7349;1.2508,1.159,11.7421;1.7512,1.2146,10.0275;1.2431,-.3296,10.7515;-.4072,1.0226,10.3117;-1.1064,.5745,11.0392;-.6016,2.1134,10.3299;-.7408,.4578,8.929;-.5167,-.6249,8.9054;-.1023,.9315,8.1615;-2.2163,.6725,8.5926;-3.0951,.2896,9.3636;-2.4029,1.5532,7.9208;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605215505209</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007377123672 0.001148748066 0.036253893843 0.008704546720</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.005238733 -0.003926016 0.000161391 0.000203847 0.000389049 0.000549353 0.000797483 0.000935811 0.001345647 0.001444115 0.001701784 0.002169821 0.002891731 0.003377424 0.004957048 0.005893292 0.006173604 0.007629240 0.008384125 0.009417148 0.010202047 0.011827138 0.014541930 0.019022340 0.021312155 0.024220916 0.026272036 0.027713845 0.028799173 0.031704008 0.032165545 0.032739940 0.035762844 0.040600989 0.041581084 0.043422736 0.046014413 0.046604529 0.049785129 0.050737026 0.051273088 0.051830317 0.055854393 0.056387483 0.057607553 0.060526815 0.065236738 0.067658562 0.073312315 0.074516227 0.076374445 0.077165649 0.078094823 0.078925279 0.081439943 0.082723336 0.087687183 0.096707669 0.102666904 0.107087279 0.108038443 0.112139244 0.113349513 0.113941437 0.114831516 0.122791399 0.131574604 0.132883793 0.138918941 0.145157613 0.152349784 0.157756071 0.160820990 0.162744441 0.170715892 0.175591221 0.177952693 0.188566712 0.196001557 0.203300182 0.210169414 0.211856814 0.222357144 0.249413437 0.251907778 0.295181463 0.310108982 0.348976848 0.366036036 0.414190957 0.434603989 0.478651019 0.527219463 0.538555751 0.582914280 0.609185315 0.622426228 0.668475101 0.733371892 0.740910643 0.752440987 0.759049480 0.764952886 0.775521397 0.780921061 0.786379216 0.789027252 0.789735115 0.795407891 0.811699185 0.818599300 0.821979074 0.848270125 0.855575358 0.858784609 0.859975870 0.878999960 0.892304256 0.898145947 0.917749594 0.919694890 0.922955010 0.940282826 0.977498377 1.435789818 1.527416852</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="-3.00223063" y3="-4.08276077" z3="10.94567758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78822052" y3="-4.8513819" z3="10.80232404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.07626805" y3="-3.72225314" z3="11.98633419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.02326759" y3="-4.5879453" z3="10.83354155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.15064575" y3="-2.93702779" z3="9.94880225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.37329171" y3="-2.17614109" z3="10.09711717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.10067925" y3="-2.4082969" z3="10.09760155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.0912699" y3="-3.41732765" z3="8.50074189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.94718273" y3="-4.09833135" z3="8.294108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.14592584" y3="-3.96704127" z3="8.31123198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0334929" y3="-1.75639867" z3="7.17526853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19384553" y3="0.16282752" z3="5.76499513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21145457" y3="-0.25921474" z3="6.04449145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12794578" y3="1.25414022" z3="5.97329665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.40355503" y3="0.00761732" z3="4.24685653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.60042768" y3="0.55168394" z3="3.70874431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.34944236" y3="0.51067429" z3="3.96589656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46809834" y3="-1.43949613" z3="3.74668431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61512843" y3="-1.42793851" z3="2.64670066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3629982" y3="-1.91994986" z3="4.18164142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24934626" y3="-2.30614847" z3="4.0845583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40823494" y3="-3.31194536" z3="3.65027701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.19907231" y3="-2.44614444" z3="5.17899272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07780934" y3="-1.74827199" z3="3.57292945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33553312" y3="-0.79946053" z3="4.07557078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.906009" y3="-2.45469371" z3="3.7631494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04434232" y3="-1.55130818" z3="2.48364242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95438062" y3="-2.32777209" z3="7.37425923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24483174" y3="-0.470899" z3="6.6316001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29051109" y3="-0.22053829" z3="6.41936221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.20806529" y3="-2.35027407" z3="7.59858285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.02259937" y3="0.75620591" z3="10.74107922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.23331965" y3="1.15986824" z3="11.74933249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.74222505" y3="1.21435106" z3="10.03698248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.23023378" y3="-0.32915483" z3="10.75939467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.41804723" y3="1.02290461" z3="10.30967301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.1215453" y3="0.57533415" z3="11.03352213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.61246349" y3="2.11366671" z3="10.32578166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.74228435" y3="0.45610147" z3="8.92559914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51521049" y3="-0.62577256" z3="8.90681578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.09813044" y3="0.92940596" z3="8.16219945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.21690913" y3="0.6654204" z3="8.5750872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.09942233" y3="0.28566229" z3="9.34685225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.39660762" y3="1.55741184" z3="7.91507317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-3.0022,-4.0828,10.9457;-3.7882,-4.8514,10.8023;-3.0763,-3.7223,11.9863;-2.0233,-4.5879,10.8335;-3.1506,-2.937,9.9488;-2.3733,-2.1761,10.0971;-4.1007,-2.4083,10.0976;-3.0913,-3.4173,8.5007;-3.9472,-4.0983,8.2941;-2.1459,-3.967,8.3112;-2.0335,-1.7564,7.1753;-1.1938,.1628,5.765;-.2115,-.2592,6.0445;-1.1279,1.2541,5.9733;-1.4036,.0076,4.2469;-.6004,.5517,3.7087;-2.3494,.5107,3.9659;-1.4681,-1.4395,3.7467;-1.6151,-1.4279,2.6467;-2.363,-1.9199,4.1816;-.2493,-2.3061,4.0846;-.4082,-3.3119,3.6503;-.1991,-2.4461,5.179;1.0778,-1.7483,3.5729;1.3355,-.7995,4.0756;1.906,-2.4547,3.7631;1.0443,-1.5513,2.4836;-.9544,-2.3278,7.3743;-2.2448,-.4709,6.6316;-3.2905,-.2205,6.4194;-3.2081,-2.3503,7.5986;1.0226,.7562,10.7411;1.2333,1.1599,11.7493;1.7422,1.2144,10.037;1.2302,-.3292,10.7594;-.418,1.0229,10.3097;-1.1215,.5753,11.0335;-.6125,2.1137,10.3258;-.7423,.4561,8.9256;-.5152,-.6258,8.9068;-.0981,.9294,8.1622;-2.2169,.6654,8.5751;-3.0994,.2857,9.3469;-2.3966,1.5574,7.9151;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605201612397</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009516692725 0.001571623118 0.032703923533 0.008704841268</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.009411896 -0.002640000 0.000163932 0.000203880 0.000390367 0.000549745 0.000799427 0.000942562 0.001345687 0.001445080 0.001703599 0.002169783 0.002893494 0.003378806 0.004957023 0.005896020 0.006175486 0.007671747 0.008407313 0.009514112 0.010408472 0.011827474 0.014550064 0.019065831 0.021315294 0.024260012 0.026273622 0.027777579 0.028892916 0.031723802 0.032723908 0.033952201 0.036797560 0.040649449 0.041609182 0.045719762 0.046359523 0.049225093 0.049788578 0.050737134 0.051288447 0.051830564 0.055905513 0.056458617 0.057614155 0.060551308 0.065237706 0.067656860 0.073311945 0.074517857 0.076382316 0.077177631 0.078094178 0.078928554 0.081441125 0.082717083 0.087687378 0.097358515 0.102667680 0.107088921 0.108041277 0.112139246 0.113372260 0.113941225 0.114829922 0.122982202 0.131734832 0.132910114 0.138922148 0.145158213 0.152476228 0.158124422 0.160825687 0.162744990 0.170716298 0.175591633 0.177952812 0.188550869 0.196067251 0.203294239 0.210156536 0.211868994 0.222385606 0.249412086 0.251974213 0.295193146 0.310109749 0.349004962 0.366045278 0.414266172 0.435866938 0.478754413 0.527219533 0.538595354 0.588218444 0.609187027 0.628629214 0.670538011 0.733444612 0.740915168 0.752579600 0.759132514 0.764955406 0.775528026 0.781462280 0.786380867 0.789211951 0.790740109 0.795423023 0.811701373 0.818616436 0.823899884 0.848294938 0.855575363 0.858822789 0.860182997 0.879000879 0.892499108 0.898382722 0.917749479 0.919696430 0.922957807 0.940293060 0.977505463 1.435795802 1.527418399</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">17</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.99777421" y3="-4.08557194" z3="10.94333063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79603044" y3="-4.84377801" z3="10.80916424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.05247264" y3="-3.72177872" z3="11.98760603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.02542989" y3="-4.60302222" z3="10.81886948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.14164578" y3="-2.93921954" z3="9.94697421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.34058778" y3="-2.19284175" z3="10.09228291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.08439032" y3="-2.38512928" z3="10.1111358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09618223" y3="-3.41739632" z3="8.49866124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.94414462" y3="-4.09831322" z3="8.29800151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.15583448" y3="-3.96179673" z3="8.3127609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.03608485" y3="-1.75706096" z3="7.17024788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19481177" y3="0.15835419" z3="5.75540681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21307573" y3="-0.26303227" z3="6.03921754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13130985" y3="1.24923391" z3="5.96944895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39806909" y3="0.00892023" z3="4.23585775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.59256891" y3="0.55177196" z3="3.7000738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.34276927" y3="0.51397126" z3="3.95441393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46605363" y3="-1.43866573" z3="3.73804574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61074812" y3="-1.42941689" z3="2.63779392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36273054" y3="-1.9147845" z3="4.17380372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25038405" y3="-2.30761642" z3="4.08190208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40972588" y3="-3.31388193" z3="3.64888398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20387768" y3="-2.44604263" z3="5.17701822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07902414" y3="-1.75248375" z3="3.57300918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33716133" y3="-0.8039629" z3="4.07600878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90583592" y3="-2.460099" z3="3.76464912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04753401" y3="-1.55528755" z3="2.48368992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95559664" y3="-2.32601782" z3="7.38327602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25044354" y3="-0.48778567" z3="6.60380449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29565895" y3="-0.22722155" z3="6.40420617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21377308" y3="-2.35311278" z3="7.59591041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.02223941" y3="0.75419235" z3="10.74705767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.23400854" y3="1.15676309" z3="11.75510157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.74102719" y3="1.21216612" z3="10.04260104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.22739781" y3="-0.33149053" z3="10.76391663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.41793976" y3="1.02454371" z3="10.31963944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.1205174" y3="0.57747893" z3="11.04424518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.61019299" y3="2.1156397" z3="10.33763003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.75068111" y3="0.46182752" z3="8.9359574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.53055972" y3="-0.62195552" z3="8.9094988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.11141467" y3="0.93384744" z3="8.16859452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.22384366" y3="0.687068" z3="8.60281364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.10744765" y3="0.3068726" z3="9.36541614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4078192" y3="1.55550246" z3="7.91444544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.9978,-4.0856,10.9433;-3.796,-4.8438,10.8092;-3.0525,-3.7218,11.9876;-2.0254,-4.603,10.8189;-3.1416,-2.9392,9.947;-2.3406,-2.1928,10.0923;-4.0844,-2.3851,10.1111;-3.0962,-3.4174,8.4987;-3.9441,-4.0983,8.298;-2.1558,-3.9618,8.3128;-2.0361,-1.7571,7.1702;-1.1948,.1584,5.7554;-.2131,-.263,6.0392;-1.1313,1.2492,5.9694;-1.3981,.0089,4.2359;-.5926,.5518,3.7001;-2.3428,.514,3.9544;-1.4661,-1.4387,3.738;-1.6107,-1.4294,2.6378;-2.3627,-1.9148,4.1738;-.2504,-2.3076,4.0819;-.4097,-3.3139,3.6489;-.2039,-2.446,5.177;1.079,-1.7525,3.573;1.3372,-.804,4.076;1.9058,-2.4601,3.7646;1.0475,-1.5553,2.4837;-.9556,-2.326,7.3833;-2.2504,-.4878,6.6038;-3.2957,-.2272,6.4042;-3.2138,-2.3531,7.5959;1.0222,.7542,10.7471;1.234,1.1568,11.7551;1.741,1.2122,10.0426;1.2274,-.3315,10.7639;-.4179,1.0245,10.3196;-1.1205,.5775,11.0442;-.6102,2.1156,10.3376;-.7507,.4618,8.936;-.5306,-.622,8.9095;-.1114,.9338,8.1686;-2.2238,.6871,8.6028;-3.1074,.3069,9.3654;-2.4078,1.5555,7.9144;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605287941715</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004154591920 0.000837255195 0.035587313742 0.008703908082</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013368946 -0.001228783 0.000202786 0.000225253 0.000391050 0.000551365 0.000799891 0.001090424 0.001345926 0.001484785 0.001730308 0.002206277 0.002894533 0.003391319 0.004959433 0.005909505 0.006175261 0.008000534 0.008407263 0.009673869 0.010911574 0.011848353 0.014548678 0.019091368 0.021320894 0.024267136 0.026274347 0.027803136 0.028926617 0.031725060 0.032733472 0.034045616 0.037016625 0.040651527 0.041607213 0.045735348 0.046416919 0.049785534 0.050623422 0.050775004 0.051333949 0.051833019 0.055944054 0.056549513 0.057657896 0.060562541 0.065243612 0.067654692 0.073312514 0.074518482 0.076384675 0.077235282 0.078102067 0.078963781 0.081451102 0.082715895 0.087698039 0.097665117 0.102675582 0.107093352 0.108041117 0.112139953 0.113369701 0.113947258 0.114836153 0.123123912 0.131728175 0.132905785 0.138921807 0.145158018 0.152475374 0.158142361 0.160827829 0.162746524 0.170737400 0.175593100 0.177952730 0.188593337 0.196346014 0.203320956 0.210207010 0.211921725 0.222444481 0.249414692 0.252104776 0.295204341 0.310193015 0.349129750 0.366060047 0.414373953 0.437063756 0.478984672 0.527219459 0.538677091 0.588324608 0.609196960 0.629643381 0.671095649 0.733445532 0.740944393 0.752591930 0.759298757 0.764961403 0.775542151 0.781788189 0.786386806 0.789210418 0.791559538 0.795434734 0.811701526 0.818623135 0.825349645 0.848306138 0.855578668 0.858836334 0.860212585 0.879001190 0.892659762 0.898667843 0.917749585 0.919714367 0.922956533 0.940292745 0.977509746 1.435981838 1.527430191</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">18</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.97948884" y3="-4.08495964" z3="10.94107792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77843365" y3="-4.83526928" z3="10.80936172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.03122207" y3="-3.72659692" z3="11.98223543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.01585657" y3="-4.6049981" z3="10.81626646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.11754225" y3="-2.93617932" z3="9.94684173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.30524712" y3="-2.20324148" z3="10.08206586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.04880301" y3="-2.36989895" z3="10.12116942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09739752" y3="-3.41307698" z3="8.49779891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.95930295" y3="-4.08114546" z3="8.3078896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.16693123" y3="-3.97260394" z3="8.29741753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.03799363" y3="-1.75291675" z3="7.17094745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19244199" y3="0.15934658" z3="5.75524699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21242845" y3="-0.26527739" z3="6.03990259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12572249" y3="1.25012656" z3="5.96829363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39378675" y3="0.01015469" z3="4.23523096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.58436692" y3="0.54945149" z3="3.70141421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.33536698" y3="0.51988783" z3="3.95104116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46715066" y3="-1.43660515" z3="3.73562753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60957187" y3="-1.42539539" z3="2.63500924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36707399" y3="-1.90936905" z3="4.16872555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25611297" y3="-2.31143795" z3="4.08051733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42009378" y3="-3.31697734" z3="3.64748999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21098937" y3="-2.44993737" z3="5.17555643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07659422" y3="-1.76297532" z3="3.57273662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33886944" y3="-0.81548358" z3="4.07553176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89971283" y3="-2.47468999" z3="3.76570021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04738593" y3="-1.56616735" z3="2.4832346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95847963" y3="-2.322491" z3="7.38327724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25008691" y3="-0.48143391" z3="6.60614506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29470067" y3="-0.22294821" z3="6.40030995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21525151" y3="-2.34620048" z3="7.59735723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.00859476" y3="0.74840646" z3="10.75632153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.21847685" y3="1.14936586" z3="11.76559909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.73180744" y3="1.20464638" z3="10.05488958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.21039684" y3="-0.33794811" z3="10.77314447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.42963939" y3="1.02379406" z3="10.32357308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.13638231" y3="0.57703013" z3="11.04468762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.61845427" y3="2.11557983" z3="10.34341957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.75772421" y3="0.46482975" z3="8.93694018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.539032" y3="-0.61898546" z3="8.9102816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.11299196" y3="0.93712075" z3="8.17362992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.22940712" y3="0.68994294" z3="8.59350601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.11677707" y3="0.31348784" z3="9.35586851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40794799" y3="1.56142606" z3="7.90909133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.9795,-4.085,10.9411;-3.7784,-4.8353,10.8094;-3.0312,-3.7266,11.9822;-2.0159,-4.605,10.8163;-3.1175,-2.9362,9.9468;-2.3052,-2.2032,10.0821;-4.0488,-2.3699,10.1212;-3.0974,-3.4131,8.4978;-3.9593,-4.0811,8.3079;-2.1669,-3.9726,8.2974;-2.038,-1.7529,7.1709;-1.1924,.1593,5.7552;-.2124,-.2653,6.0399;-1.1257,1.2501,5.9683;-1.3938,.0102,4.2352;-.5844,.5495,3.7014;-2.3354,.5199,3.951;-1.4672,-1.4366,3.7356;-1.6096,-1.4254,2.635;-2.3671,-1.9094,4.1687;-.2561,-2.3114,4.0805;-.4201,-3.317,3.6475;-.211,-2.4499,5.1756;1.0766,-1.763,3.5727;1.3389,-.8155,4.0755;1.8997,-2.4747,3.7657;1.0474,-1.5662,2.4832;-.9585,-2.3225,7.3833;-2.2501,-.4814,6.6061;-3.2947,-.2229,6.4003;-3.2153,-2.3462,7.5974;1.0086,.7484,10.7563;1.2185,1.1494,11.7656;1.7318,1.2046,10.0549;1.2104,-.3379,10.7731;-.4296,1.0238,10.3236;-1.1364,.577,11.0447;-.6185,2.1156,10.3434;-.7577,.4648,8.9369;-.539,-.619,8.9103;-.113,.9371,8.1736;-2.2294,.6899,8.5935;-3.1168,.3135,9.3559;-2.4079,1.5614,7.9091;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605312861207</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003948968386 0.000700502323 0.037673554042 0.008702962395</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013354242 -0.002672437 0.000202698 0.000335067 0.000396396 0.000556823 0.000800362 0.001253505 0.001384078 0.001585698 0.002009807 0.002491181 0.002905358 0.003437540 0.004958854 0.005909380 0.006179316 0.008396271 0.008498460 0.009760322 0.011738278 0.012622152 0.014547898 0.019096427 0.021343894 0.024266844 0.026276162 0.027808426 0.028945680 0.031725992 0.032737536 0.034068835 0.037003778 0.040653297 0.041609369 0.045736174 0.046422535 0.049789261 0.050560939 0.050762808 0.051327467 0.051833053 0.055940042 0.056542903 0.057666047 0.060561303 0.065242812 0.067647087 0.073315235 0.074516590 0.076383247 0.077234720 0.078103458 0.078967908 0.081448888 0.082722338 0.087719862 0.097658554 0.102680422 0.107095083 0.108041040 0.112139900 0.113374255 0.113950815 0.114838389 0.123145536 0.131773212 0.132929925 0.138923090 0.145157973 0.152486762 0.158141980 0.160830272 0.162746369 0.170752181 0.175592676 0.177952685 0.188704455 0.196735652 0.203394892 0.210330892 0.211965203 0.222451658 0.249419634 0.252745785 0.295276523 0.310296215 0.349255104 0.366066096 0.414460758 0.437737555 0.479225990 0.527221909 0.539095451 0.589455853 0.609206984 0.629939308 0.671116041 0.733456901 0.740970236 0.752722267 0.759707889 0.764964615 0.775545408 0.781872938 0.786389353 0.789210627 0.791741215 0.795439966 0.811701588 0.818623324 0.825389481 0.848306074 0.855580228 0.858836189 0.860250568 0.879001421 0.892680365 0.898693367 0.917750488 0.919714902 0.922959112 0.940297534 0.977510939 1.436108065 1.527444607</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">19</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.97402313" y3="-4.08510109" z3="10.93993471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80605199" y3="-4.81516945" z3="10.82060953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.99714671" y3="-3.71894806" z3="11.98521425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.02131245" y3="-4.64074289" z3="10.79565249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.09694749" y3="-2.93197356" z3="9.94756438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.26757357" y3="-2.21515725" z3="10.07521851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-4.01608549" y3="-2.34661281" z3="10.12925728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09918978" y3="-3.41175252" z3="8.49876906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.97342736" y3="-4.06990422" z3="8.32122194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.17743716" y3="-3.98386305" z3="8.2869563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.03812511" y3="-1.75307637" z3="7.17030154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19213074" y3="0.15821245" z3="5.75339668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21241379" y3="-0.26596053" z3="6.03958134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12636931" y3="1.248932" z3="5.96792615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39089233" y3="0.01063159" z3="4.23294643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.580293" y3="0.54931266" z3="3.70084382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.33142544" y3="0.52140343" z3="3.94806224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46549104" y3="-1.43572373" z3="3.7325882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60613102" y3="-1.42402539" z3="2.63180222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36647852" y3="-1.90723913" z3="4.16420893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2564006" y3="-2.31220899" z3="4.0791478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42149251" y3="-3.31759175" z3="3.64624231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21252267" y3="-2.45026568" z3="5.17431396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07739363" y3="-1.76607487" z3="3.57241599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34048969" y3="-0.81869553" z3="4.07497146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89927839" y3="-2.47869713" z3="3.76638247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0493389" y3="-1.56995116" z3="2.48281146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95854675" y3="-2.32222712" z3="7.38706779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25091673" y3="-0.48571987" z3="6.59948183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29546439" y3="-0.22567079" z3="6.39571342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21615062" y3="-2.34614082" z3="7.59738415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="1.00145284" y3="0.74719343" z3="10.75978436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.21091191" y3="1.14600486" z3="11.77010487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.72467101" y3="1.20467952" z3="10.05939657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.20290387" y3="-0.3392826" z3="10.77410116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.43620668" y3="1.02373069" z3="10.3273522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.14321984" y3="0.57529152" z3="11.04697765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.62528992" y3="2.11527128" z3="10.349706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.76362417" y3="0.46791949" z3="8.93937489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.54455938" y3="-0.61579384" z3="8.90940753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.11967576" y3="0.9420054" z3="8.17674711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.23472752" y3="0.69477815" z3="8.59811227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.12273179" y3="0.31717143" z3="9.35682892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41432723" y3="1.56041962" z3="7.90649065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.974,-4.0851,10.9399;-3.8061,-4.8152,10.8206;-2.9971,-3.7189,11.9852;-2.0213,-4.6407,10.7957;-3.0969,-2.932,9.9476;-2.2676,-2.2152,10.0752;-4.0161,-2.3466,10.1293;-3.0992,-3.4118,8.4988;-3.9734,-4.0699,8.3212;-2.1774,-3.9839,8.287;-2.0381,-1.7531,7.1703;-1.1921,.1582,5.7534;-.2124,-.266,6.0396;-1.1264,1.2489,5.9679;-1.3909,.0106,4.2329;-.5803,.5493,3.7008;-2.3314,.5214,3.9481;-1.4655,-1.4357,3.7326;-1.6061,-1.424,2.6318;-2.3665,-1.9072,4.1642;-.2564,-2.3122,4.0791;-.4215,-3.3176,3.6462;-.2125,-2.4503,5.1743;1.0774,-1.7661,3.5724;1.3405,-.8187,4.075;1.8993,-2.4787,3.7664;1.0493,-1.57,2.4828;-.9585,-2.3222,7.3871;-2.2509,-.4857,6.5995;-3.2955,-.2257,6.3957;-3.2162,-2.3461,7.5974;1.0015,.7472,10.7598;1.2109,1.146,11.7701;1.7247,1.2047,10.0594;1.2029,-.3393,10.7741;-.4362,1.0237,10.3274;-1.1432,.5753,11.047;-.6253,2.1153,10.3497;-.7636,.4679,8.9394;-.5446,-.6158,8.9094;-.1197,.942,8.1767;-2.2347,.6948,8.5981;-3.1227,.3172,9.3568;-2.4143,1.5604,7.9065;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605319525110</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005146375129 0.001170772676 0.039454286349 0.008705295539</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013626471 -0.002486154 0.000202896 0.000336969 0.000396664 0.000559180 0.000809343 0.001264620 0.001394494 0.001596919 0.002076319 0.002757021 0.002925631 0.003475954 0.004959497 0.005935425 0.006178793 0.008402630 0.008889560 0.009774432 0.011792582 0.014506066 0.014777371 0.019098227 0.021349928 0.024267683 0.026277704 0.027811326 0.028951999 0.031727031 0.032737212 0.034357734 0.037068766 0.040657526 0.041609832 0.045739526 0.046422037 0.049789294 0.050593847 0.050766630 0.051327745 0.051833832 0.055942602 0.056542782 0.057665268 0.060560541 0.065243572 0.067639263 0.073314804 0.074514565 0.076381479 0.077239987 0.078107076 0.078976249 0.081478221 0.082773689 0.087728813 0.097672098 0.102680298 0.107095297 0.108041260 0.112140244 0.113373348 0.113950284 0.114837686 0.123160678 0.131928196 0.133049819 0.138926840 0.145157979 0.152484340 0.158165810 0.160839937 0.162749428 0.170753190 0.175593127 0.177952604 0.188729059 0.197440322 0.203772084 0.210864237 0.211971038 0.222451121 0.249432940 0.255539331 0.295663502 0.310699229 0.349658832 0.366076595 0.414636785 0.438848896 0.479616653 0.527237486 0.539751762 0.591292490 0.609206762 0.630542239 0.671172844 0.733470733 0.740986038 0.752921604 0.760667772 0.764987880 0.775546302 0.782148956 0.786390011 0.789333162 0.792179652 0.795457702 0.811703480 0.818625379 0.825718075 0.848306261 0.855580538 0.858840238 0.860328547 0.879003084 0.893018600 0.899635553 0.917750569 0.919719236 0.923029944 0.940335281 0.977528879 1.436161614 1.527455398</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">20</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.95955967" y3="-4.0836009" z3="10.93642399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78813704" y3="-4.80335986" z3="10.82123376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.97129378" y3="-3.7233652" z3="11.9810491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.01828393" y3="-4.63954964" z3="10.78977734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.07494325" y3="-2.92827599" z3="9.94660842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.22811928" y3="-2.22956968" z3="10.06481375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.97918131" y3="-2.32420478" z3="10.13936485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10577157" y3="-3.40628458" z3="8.49723465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-3.9881236" y3="-4.05225224" z3="8.33091063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.19564476" y3="-3.98896125" z3="8.27537538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.04219454" y3="-1.75111716" z3="7.16975307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18833425" y3="0.15870924" z3="5.75500286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21009657" y3="-0.26868215" z3="6.04172944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11922211" y3="1.2491125" z3="5.96955188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38729378" y3="0.01189786" z3="4.23467211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57477281" y3="0.54818419" z3="3.70295678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32607412" y3="0.52588862" z3="3.94972404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.4663558" y3="-1.43405002" z3="3.73364295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60651147" y3="-1.42122679" z3="2.63285406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36916971" y3="-1.90297208" z3="4.1644987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26021675" y3="-2.31479677" z3="4.0800485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42882206" y3="-3.31959751" z3="3.64710127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21675433" y3="-2.45310686" z3="5.17518011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07551316" y3="-1.7732246" z3="3.57325278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34170033" y3="-0.82646087" z3="4.07535756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89496604" y3="-2.48856778" z3="3.76774912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04827676" y3="-1.57753648" z3="2.48356953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.96480508" y3="-2.32401032" z3="7.38560812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24990303" y3="-0.48049975" z3="6.60188099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29350145" y3="-0.21972196" z3="6.39356366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22168221" y3="-2.33929505" z3="7.59698836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.9876629" y3="0.74317363" z3="10.76706853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.19219108" y3="1.14012642" z3="11.77903211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.71465873" y3="1.20172743" z3="10.07098128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.18877365" y3="-0.34324064" z3="10.78057488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.44782383" y3="1.02054861" z3="10.32754724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.15914003" y3="0.57052583" z3="11.04219612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.63710861" y3="2.11194277" z3="10.3508262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.76743732" y3="0.46725803" z3="8.93700269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.54580808" y3="-0.61586607" z3="8.90654344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.12019269" y3="0.94411713" z3="8.17871807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.23792022" y3="0.69183823" z3="8.58786154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.12867474" y3="0.31513424" z3="9.34551867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41323065" y3="1.56259953" z3="7.90102434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.9596,-4.0836,10.9364;-3.7881,-4.8034,10.8212;-2.9713,-3.7234,11.981;-2.0183,-4.6395,10.7898;-3.0749,-2.9283,9.9466;-2.2281,-2.2296,10.0648;-3.9792,-2.3242,10.1394;-3.1058,-3.4063,8.4972;-3.9881,-4.0523,8.3309;-2.1956,-3.989,8.2754;-2.0422,-1.7511,7.1698;-1.1883,.1587,5.755;-.2101,-.2687,6.0417;-1.1192,1.2491,5.9696;-1.3873,.0119,4.2347;-.5748,.5482,3.703;-2.3261,.5259,3.9497;-1.4664,-1.4341,3.7336;-1.6065,-1.4212,2.6329;-2.3692,-1.903,4.1645;-.2602,-2.3148,4.08;-.4288,-3.3196,3.6471;-.2168,-2.4531,5.1752;1.0755,-1.7732,3.5733;1.3417,-.8265,4.0754;1.895,-2.4886,3.7677;1.0483,-1.5775,2.4836;-.9648,-2.324,7.3856;-2.2499,-.4805,6.6019;-3.2935,-.2197,6.3936;-3.2217,-2.3393,7.597;.9877,.7432,10.7671;1.1922,1.1401,11.779;1.7147,1.2017,10.071;1.1888,-.3432,10.7806;-.4478,1.0205,10.3275;-1.1591,.5705,11.0422;-.6371,2.1119,10.3508;-.7674,.4673,8.937;-.5458,-.6159,8.9065;-.1202,.9441,8.1787;-2.2379,.6918,8.5879;-3.1287,.3151,9.3455;-2.4132,1.5626,7.901;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605373806556</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004091649030 0.000802897851 0.035236602626 0.008703481287</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013533846 -0.001840810 0.000206506 0.000339696 0.000397625 0.000558804 0.000814118 0.001266062 0.001398117 0.001596755 0.002079585 0.002752812 0.002925383 0.003478715 0.004959944 0.005940783 0.006188614 0.008414437 0.009035593 0.009794860 0.011799114 0.014539635 0.015660684 0.019105949 0.021349903 0.024268461 0.026278879 0.027827333 0.028952048 0.031728227 0.032737354 0.034925062 0.037258548 0.040667915 0.041611125 0.045756613 0.046427612 0.049789834 0.050703167 0.050881961 0.051339487 0.051837327 0.055953350 0.056579615 0.057673828 0.060564252 0.065243446 0.067631207 0.073314271 0.074520689 0.076399222 0.077278549 0.078118853 0.079027531 0.081541097 0.082805976 0.087732801 0.097993545 0.102681013 0.107095550 0.108041740 0.112146260 0.113415399 0.113964654 0.114854556 0.123196216 0.132126672 0.133337924 0.138931513 0.145158481 0.152484793 0.158217827 0.160883810 0.162804285 0.170752890 0.175595627 0.177952658 0.188839452 0.197634349 0.203836321 0.210904323 0.211971557 0.222450258 0.249435452 0.255809568 0.295705092 0.310766410 0.349711199 0.366078023 0.414650016 0.439054475 0.479679168 0.527245023 0.540055635 0.593346543 0.609209298 0.632097615 0.671524029 0.733489090 0.740992494 0.752986510 0.761037677 0.764999538 0.775547270 0.782190951 0.786390903 0.789823867 0.792194377 0.795462825 0.811703716 0.818638234 0.826751916 0.848310260 0.855582308 0.858840500 0.860412377 0.879003054 0.893099903 0.900006801 0.917750470 0.919734698 0.923055327 0.940382989 0.977545989 1.436162721 1.527458085</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">21</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.94260504" y3="-4.0792432" z3="10.93628508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80028413" y3="-4.78059765" z3="10.83644714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.9364681" y3="-3.71501498" z3="11.97804257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.01371014" y3="-4.66372081" z3="10.77357706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.05131852" y3="-2.92477373" z3="9.94524825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.19865291" y3="-2.23843798" z3="10.05161982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.9439447" y3="-2.31095827" z3="10.14900589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10565767" y3="-3.40180768" z3="8.49764147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.00071346" y3="-4.0359956" z3="8.34371366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.20565253" y3="-3.99833271" z3="8.2614668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.04346487" y3="-1.74863974" z3="7.16831702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18642657" y3="0.15988794" z3="5.7549253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20939556" y3="-0.2697551" z3="6.04224972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11499044" y3="1.25012915" z3="5.96893437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38458798" y3="0.01287182" z3="4.23439933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56977534" y3="0.54661808" z3="3.70341124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32151984" y3="0.52972984" z3="3.94794869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46710902" y3="-1.43285656" z3="3.73328294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60665968" y3="-1.41957552" z3="2.63236525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37151367" y3="-1.89943211" z3="4.1634945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26342052" y3="-2.31685984" z3="4.0802028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.43459796" y3="-3.32124662" z3="3.6473059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22076587" y3="-2.45516101" z3="5.17537592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07412488" y3="-1.77903556" z3="3.57403595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34268015" y3="-0.8329599" z3="4.07616976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89149006" y3="-2.49663304" z3="3.76924471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04820986" y3="-1.58343084" z3="2.484252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.96699647" y3="-2.32349542" z3="7.38123199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24942115" y3="-0.47567733" z3="6.60308709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29246479" y3="-0.21568313" z3="6.39122402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22206764" y3="-2.3342455" z3="7.59772046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.97506525" y3="0.73886864" z3="10.77474553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.17510331" y3="1.13359164" z3="11.78852367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.70530667" y3="1.19905906" z3="10.08316183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.17643145" y3="-0.34762405" z3="10.78690406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.45862831" y3="1.01704366" z3="10.32921384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.17302928" y3="0.56496672" z3="11.03929831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.64814461" y3="2.10850778" z3="10.35458687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.77206043" y3="0.46702462" z3="8.93593293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.54932021" y3="-0.61584452" z3="8.90467766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.12139459" y3="0.94595656" z3="8.18180243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.24161105" y3="0.69082635" z3="8.57937887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.13539317" y3="0.31552298" z3="9.33532383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41300722" y3="1.5658209" z3="7.89659633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.9426,-4.0792,10.9363;-3.8003,-4.7806,10.8364;-2.9365,-3.715,11.978;-2.0137,-4.6637,10.7736;-3.0513,-2.9248,9.9452;-2.1987,-2.2384,10.0516;-3.9439,-2.311,10.149;-3.1057,-3.4018,8.4976;-4.0007,-4.036,8.3437;-2.2057,-3.9983,8.2615;-2.0435,-1.7486,7.1683;-1.1864,.1599,5.7549;-.2094,-.2698,6.0422;-1.115,1.2501,5.9689;-1.3846,.0129,4.2344;-.5698,.5466,3.7034;-2.3215,.5297,3.9479;-1.4671,-1.4329,3.7333;-1.6067,-1.4196,2.6324;-2.3715,-1.8994,4.1635;-.2634,-2.3169,4.0802;-.4346,-3.3212,3.6473;-.2208,-2.4552,5.1754;1.0741,-1.779,3.574;1.3427,-.833,4.0762;1.8915,-2.4966,3.7692;1.0482,-1.5834,2.4843;-.967,-2.3235,7.3812;-2.2494,-.4757,6.6031;-3.2925,-.2157,6.3912;-3.2221,-2.3342,7.5977;.9751,.7389,10.7747;1.1751,1.1336,11.7885;1.7053,1.1991,10.0832;1.1764,-.3476,10.7869;-.4586,1.017,10.3292;-1.173,.565,11.0393;-.6481,2.1085,10.3546;-.7721,.467,8.9359;-.5493,-.6158,8.9047;-.1214,.946,8.1818;-2.2416,.6908,8.5794;-3.1354,.3155,9.3353;-2.413,1.5658,7.8966;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605391957045</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004167630591 0.000996496469 0.047315708626 0.008704157915</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013474319 -0.002805395 0.000206722 0.000381810 0.000397696 0.000560040 0.000830606 0.001312943 0.001401299 0.001605941 0.002080009 0.002846760 0.002976562 0.003496214 0.004969698 0.005940771 0.006196138 0.008477900 0.009057591 0.009818839 0.011806264 0.014543148 0.015787229 0.019105558 0.021354418 0.024269252 0.026278758 0.027828342 0.028954200 0.031733125 0.032737431 0.035690808 0.037512894 0.040679313 0.041612664 0.045832709 0.046447250 0.049790070 0.050715305 0.051091056 0.051352953 0.051856102 0.055964399 0.056649765 0.057688258 0.060567864 0.065243011 0.067632165 0.073314080 0.074520943 0.076407458 0.077298408 0.078129157 0.079078301 0.081611056 0.082835964 0.087735726 0.098972140 0.102684321 0.107097452 0.108052023 0.112168748 0.113623885 0.114060345 0.114941360 0.123321244 0.132283373 0.133968906 0.138939841 0.145158572 0.152485823 0.158243954 0.160928900 0.162897556 0.170754025 0.175605852 0.177953564 0.189091235 0.197821397 0.203876363 0.210912006 0.211971982 0.222451636 0.249434059 0.255923309 0.295730033 0.310824627 0.349767125 0.366082612 0.414669052 0.439224157 0.479738541 0.527249477 0.540259250 0.594530250 0.609210379 0.633038505 0.671747132 0.733498467 0.740994195 0.753055620 0.761567529 0.765018792 0.775547522 0.782313684 0.786391271 0.791212251 0.792487950 0.795493275 0.811706084 0.818654163 0.827996708 0.848312527 0.855582504 0.858842169 0.860458242 0.879003016 0.893250605 0.900866279 0.917750298 0.919740405 0.923142292 0.940381212 0.977553610 1.436173265 1.527457688</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">22</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.93840045" y3="-4.0804938" z3="10.93239482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79467088" y3="-4.76874434" z3="10.83994595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.9040339" y3="-3.71709536" z3="11.9798519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.02207417" y3="-4.67310853" z3="10.76097219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.03384015" y3="-2.92028377" z3="9.94478962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.1513372" y3="-2.25684743" z3="10.0413464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.90902671" y3="-2.2794335" z3="10.15610105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11519161" y3="-3.39935577" z3="8.49751432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.0231743" y3="-4.01921753" z3="8.35539785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.22727612" y3="-4.01063695" z3="8.2508495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.04582759" y3="-1.74875403" z3="7.16898097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18500393" y3="0.1594213" z3="5.75537357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20820617" y3="-0.27046159" z3="6.04277908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11296969" y3="1.24971415" z3="5.96875942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38320968" y3="0.01208838" z3="4.23490604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56799946" y3="0.545121" z3="3.70418967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31946031" y3="0.52960347" z3="3.94818939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46664589" y3="-1.43332356" z3="3.7333216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60592411" y3="-1.41965101" z3="2.63237375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37144409" y3="-1.8994323" z3="4.16295472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26377212" y3="-2.31810217" z3="4.08021211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.43561752" y3="-3.3222169" z3="3.64706943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2214038" y3="-2.45649636" z3="5.1753156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07419641" y3="-1.78133299" z3="3.57456813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34332857" y3="-0.83557138" z3="4.07692425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89080888" y3="-2.49955373" z3="3.77001272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04885573" y3="-1.5857668" z3="2.48481303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9711835" y3="-2.32698477" z3="7.3817896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24856788" y3="-0.47390567" z3="6.60479482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29115566" y3="-0.21369987" z3="6.39090853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22620856" y3="-2.33003225" z3="7.59870922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.96473094" y3="0.73742048" z3="10.78040634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.1605943" y3="1.12986711" z3="11.79593435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.69682247" y3="1.20016474" z3="10.09263187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.1676165" y3="-0.3488686" z3="10.79052716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.46756499" y3="1.01475961" z3="10.33026362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.18416625" y3="0.56007989" z3="11.03638861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.65891006" y3="2.10578193" z3="10.35749149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.77480785" y3="0.46731814" z3="8.93471558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.5498903" y3="-0.61498841" z3="8.90247238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.12176304" y3="0.94848902" z3="8.18405619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.243548" y3="0.69002027" z3="8.57256823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.13936132" y3="0.31629617" z3="9.32727022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41167833" y3="1.56760101" z3="7.89153753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.9384,-4.0805,10.9324;-3.7947,-4.7687,10.8399;-2.904,-3.7171,11.9799;-2.0221,-4.6731,10.761;-3.0338,-2.9203,9.9448;-2.1513,-2.2568,10.0413;-3.909,-2.2794,10.1561;-3.1152,-3.3994,8.4975;-4.0232,-4.0192,8.3554;-2.2273,-4.0106,8.2508;-2.0458,-1.7488,7.169;-1.185,.1594,5.7554;-.2082,-.2705,6.0428;-1.113,1.2497,5.9688;-1.3832,.0121,4.2349;-.568,.5451,3.7042;-2.3195,.5296,3.9482;-1.4666,-1.4333,3.7333;-1.6059,-1.4197,2.6324;-2.3714,-1.8994,4.163;-.2638,-2.3181,4.0802;-.4356,-3.3222,3.6471;-.2214,-2.4565,5.1753;1.0742,-1.7813,3.5746;1.3433,-.8356,4.0769;1.8908,-2.4996,3.77;1.0489,-1.5858,2.4848;-.9712,-2.327,7.3818;-2.2486,-.4739,6.6048;-3.2912,-.2137,6.3909;-3.2262,-2.33,7.5987;.9647,.7374,10.7804;1.1606,1.1299,11.7959;1.6968,1.2002,10.0926;1.1676,-.3489,10.7905;-.4676,1.0148,10.3303;-1.1842,.5601,11.0364;-.6589,2.1058,10.3575;-.7748,.4673,8.9347;-.5499,-.615,8.9025;-.1218,.9485,8.1841;-2.2435,.69,8.5726;-3.1394,.3163,9.3273;-2.4117,1.5676,7.8915;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605390318589</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011440085814 0.001458336582 0.042179733950 0.008703350827</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013446963 -0.004850943 0.000206721 0.000392948 0.000415675 0.000562633 0.000872843 0.001316882 0.001403594 0.001605177 0.002081203 0.002877816 0.003128396 0.003569512 0.004983055 0.005940799 0.006220074 0.008646630 0.009056148 0.009839212 0.011813162 0.014545806 0.015788693 0.019154660 0.021365628 0.024290312 0.026278882 0.027834146 0.028966020 0.031745443 0.032742622 0.036512811 0.037892635 0.040684624 0.041616199 0.046024686 0.046527589 0.049790093 0.050717312 0.051232607 0.051365216 0.051909563 0.055973565 0.056731154 0.057703948 0.060568960 0.065242894 0.067616786 0.073316370 0.074522153 0.076404450 0.077291776 0.078130158 0.079085848 0.081640375 0.082848859 0.087738038 0.100672267 0.102698750 0.107099955 0.108099434 0.112205597 0.113824681 0.114510141 0.115820764 0.123986691 0.132405569 0.135623761 0.138969158 0.145158589 0.152511383 0.158242983 0.160969319 0.163033933 0.170756273 0.175637289 0.177954493 0.190114843 0.198066300 0.203866397 0.210991295 0.211981173 0.222497791 0.249433212 0.256283360 0.295775627 0.310819373 0.349759924 0.366082087 0.414667154 0.439282683 0.479754605 0.527251084 0.540332658 0.595001627 0.609211436 0.633472920 0.671860376 0.733502612 0.740994749 0.753085195 0.761856175 0.765030797 0.775548376 0.782388506 0.786392654 0.791953931 0.794646076 0.795855930 0.811715092 0.818697922 0.834502272 0.848325056 0.855583539 0.858843932 0.860465294 0.879003466 0.893292790 0.901148159 0.917750991 0.919743024 0.923168440 0.940517305 0.977554559 1.436186774 1.527457102</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">23</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.91689554" y3="-4.07774613" z3="10.93130145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80455068" y3="-4.74590537" z3="10.84977219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.87903497" y3="-3.71745087" z3="11.96835123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.01561199" y3="-4.69612001" z3="10.75074315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.00527423" y3="-2.91780708" z3="9.94420279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.127128" y3="-2.26763644" z3="10.03263896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.86684698" y3="-2.26714746" z3="10.16770477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11706008" y3="-3.39181496" z3="8.49708152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.03031558" y3="-4.00081574" z3="8.36740508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.24159329" y3="-4.01101626" z3="8.23967315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.05036721" y3="-1.74573298" z3="7.1676072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18263249" y3="0.16001809" z3="5.75618262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20725209" y3="-0.27304152" z3="6.044262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10705707" y3="1.25016468" z3="5.96827113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38163956" y3="0.01161069" z3="4.23604163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56541864" y3="0.54289726" z3="3.7049626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31695647" y3="0.53085341" z3="3.94924303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46766222" y3="-1.4337882" z3="3.73450513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60690618" y3="-1.41948008" z3="2.63356823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37349028" y3="-1.89860371" z3="4.16371547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26625345" y3="-2.32098839" z3="4.08093691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.43996724" y3="-3.32469019" z3="3.6474673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22419082" y3="-2.4598069" z3="5.1759871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07278411" y3="-1.7864439" z3="3.57539693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34355372" y3="-0.84115208" z3="4.07780465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88808983" y3="-2.50623897" z3="3.77094438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04794525" y3="-1.59073778" z3="2.48566319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.97754775" y3="-2.32746691" z3="7.37739834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24860876" y3="-0.46717162" z3="6.60792476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29033319" y3="-0.20651207" z3="6.38978429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23103438" y3="-2.32293783" z3="7.59821384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.95160801" y3="0.73337275" z3="10.78821733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.14195208" y3="1.12273771" z3="11.80601578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.68743986" y3="1.19863502" z3="10.1058461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.15498501" y3="-0.35286939" z3="10.79625967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.47851406" y3="1.01123549" z3="10.33080316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.19912643" y3="0.55398694" z3="11.031363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.67056949" y3="2.10209944" z3="10.35999121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.7776052" y3="0.46733028" z3="8.93216615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55019385" y3="-0.61437638" z3="8.89893057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.12084591" y3="0.95158813" z3="8.18648477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.24537965" y3="0.68866858" z3="8.56131939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.14490289" y3="0.31798082" z3="9.31501211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40795301" y3="1.57170725" z3="7.88520858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.9169,-4.0777,10.9313;-3.8046,-4.7459,10.8498;-2.879,-3.7175,11.9684;-2.0156,-4.6961,10.7507;-3.0053,-2.9178,9.9442;-2.1271,-2.2676,10.0326;-3.8668,-2.2671,10.1677;-3.1171,-3.3918,8.4971;-4.0303,-4.0008,8.3674;-2.2416,-4.011,8.2397;-2.0504,-1.7457,7.1676;-1.1826,.16,5.7562;-.2073,-.273,6.0443;-1.1071,1.2502,5.9683;-1.3816,.0116,4.236;-.5654,.5429,3.705;-2.317,.5309,3.9492;-1.4677,-1.4338,3.7345;-1.6069,-1.4195,2.6336;-2.3735,-1.8986,4.1637;-.2663,-2.321,4.0809;-.44,-3.3247,3.6475;-.2242,-2.4598,5.176;1.0728,-1.7864,3.5754;1.3436,-.8412,4.0778;1.8881,-2.5062,3.7709;1.0479,-1.5907,2.4857;-.9775,-2.3275,7.3774;-2.2486,-.4672,6.6079;-3.2903,-.2065,6.3898;-3.231,-2.3229,7.5982;.9516,.7334,10.7882;1.142,1.1227,11.806;1.6874,1.1986,10.1058;1.155,-.3529,10.7963;-.4785,1.0112,10.3308;-1.1991,.554,11.0314;-.6706,2.1021,10.36;-.7776,.4673,8.9322;-.5502,-.6144,8.8989;-.1208,.9516,8.1865;-2.2454,.6887,8.5613;-3.1449,.318,9.315;-2.408,1.5717,7.8852;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605395361822</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.013541884896 0.001838175035 0.043296941886 0.008704064007</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.013947153 -0.006558037 0.000208961 0.000393078 0.000415861 0.000567440 0.000881615 0.001320827 0.001404261 0.001620265 0.002092117 0.002877530 0.003124805 0.003570051 0.004982370 0.005940835 0.006230088 0.008679566 0.009071428 0.009840493 0.011814387 0.014547318 0.015857492 0.019212295 0.021372583 0.024322881 0.026279628 0.027862611 0.028983552 0.031758317 0.032754446 0.037003338 0.038263590 0.040683915 0.041618734 0.046213063 0.046849522 0.049790841 0.050717872 0.051233282 0.051372318 0.051963261 0.055976565 0.056735442 0.057702324 0.060574514 0.065244549 0.067612734 0.073361308 0.074618684 0.076484789 0.077358996 0.078130248 0.079086290 0.081659630 0.082894442 0.087742109 0.101788303 0.102740068 0.107100831 0.108154197 0.112225992 0.113850348 0.114634502 0.117806831 0.125656749 0.132476064 0.138770765 0.140904641 0.145158900 0.152602202 0.158359317 0.160986873 0.163110239 0.170756756 0.175675690 0.177954493 0.191112356 0.198588697 0.203862104 0.211050519 0.212007151 0.222556285 0.249436508 0.256534532 0.295823438 0.310818442 0.349754993 0.366081869 0.414667923 0.439305338 0.479770037 0.527251106 0.540347234 0.595029339 0.609212171 0.633484527 0.671862116 0.733505162 0.740999781 0.753131213 0.762252025 0.765052734 0.775549540 0.782485081 0.786394567 0.792014441 0.795329003 0.800405122 0.811721046 0.818733804 0.846881851 0.848593493 0.855594551 0.858856093 0.860464210 0.879003896 0.893446651 0.902064960 0.917751911 0.919746352 0.923287030 0.941605051 0.977567026 1.436186533 1.527458268</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">24</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.91451505" y3="-4.07631515" z3="10.92857281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79714484" y3="-4.73157101" z3="10.85787571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.83820945" y3="-3.71469948" z3="11.97742719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.02495685" y3="-4.70446832" z3="10.73307276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99101582" y3="-2.91383462" z3="9.94320093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.08383105" y3="-2.28373451" z3="10.01852689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.83585952" y3="-2.24839785" z3="10.17086312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11834855" y3="-3.38707134" z3="8.50083233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.04653611" y3="-3.98403073" z3="8.38487744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.25257864" y3="-4.02249194" z3="8.2271641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.05221573" y3="-1.74307592" z3="7.16537813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18229127" y3="0.15972387" z3="5.75246925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.208392" y3="-0.27518352" z3="6.042626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10508642" y3="1.24971897" z3="5.96511825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37853061" y3="0.01182131" z3="4.23182461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.5601461" y3="0.54105212" z3="3.70175279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31236717" y3="0.53311188" z3="3.94323576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46715561" y3="-1.4338356" z3="3.73148976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60529611" y3="-1.42030192" z3="2.63039103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37440428" y3="-1.896097" z3="4.16055367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26795249" y3="-2.32334215" z3="4.08019251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.44297614" y3="-3.32694753" z3="3.64699917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22776262" y3="-2.46177542" z3="5.17543581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07281984" y3="-1.79146998" z3="3.57616565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34482218" y3="-0.84669705" z3="4.07888303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88664703" y3="-2.51278781" z3="3.77256263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04955127" y3="-1.59554902" z3="2.48637381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.97950077" y3="-2.32570197" z3="7.37486375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25061372" y3="-0.46739587" z3="6.60073429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29178631" y3="-0.204404" z3="6.38333692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23181899" y3="-2.31785086" z3="7.60198621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.94146583" y3="0.72795507" z3="10.79623224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.12836113" y3="1.11360671" z3="11.8159863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.67958641" y3="1.19564112" z3="10.11821055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.14456122" y3="-0.35834792" z3="10.80111756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.48702882" y3="1.00809389" z3="10.33557691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.20969623" y3="0.54841202" z3="11.03214348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.67873025" y3="2.09897755" z3="10.36859251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.78353193" y3="0.47011845" z3="8.93414271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55700286" y3="-0.61174157" z3="8.8964632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.12572646" y3="0.95689666" z3="8.19126332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.25011868" y3="0.69483491" z3="8.56254744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.15137801" y3="0.3243718" z3="9.31302555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41167122" y3="1.57417107" z3="7.88228479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.9145,-4.0763,10.9286;-3.7971,-4.7316,10.8579;-2.8382,-3.7147,11.9774;-2.025,-4.7045,10.7331;-2.991,-2.9138,9.9432;-2.0838,-2.2837,10.0185;-3.8359,-2.2484,10.1709;-3.1183,-3.3871,8.5008;-4.0465,-3.984,8.3849;-2.2526,-4.0225,8.2272;-2.0522,-1.7431,7.1654;-1.1823,.1597,5.7525;-.2084,-.2752,6.0426;-1.1051,1.2497,5.9651;-1.3785,.0118,4.2318;-.5601,.5411,3.7018;-2.3124,.5331,3.9432;-1.4672,-1.4338,3.7315;-1.6053,-1.4203,2.6304;-2.3744,-1.8961,4.1606;-.268,-2.3233,4.0802;-.443,-3.3269,3.647;-.2278,-2.4618,5.1754;1.0728,-1.7915,3.5762;1.3448,-.8467,4.0789;1.8866,-2.5128,3.7726;1.0496,-1.5955,2.4864;-.9795,-2.3257,7.3749;-2.2506,-.4674,6.6007;-3.2918,-.2044,6.3833;-3.2318,-2.3179,7.602;.9415,.728,10.7962;1.1284,1.1136,11.816;1.6796,1.1956,10.1182;1.1446,-.3583,10.8011;-.487,1.0081,10.3356;-1.2097,.5484,11.0321;-.6787,2.099,10.3686;-.7835,.4701,8.9341;-.557,-.6117,8.8965;-.1257,.9569,8.1913;-2.2501,.6948,8.5625;-3.1514,.3244,9.313;-2.4117,1.5742,7.8823;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605423163854</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.013519167625 0.001992722633 0.039886137246 0.008704267822</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.014790539 -0.006492473 0.000208886 0.000397183 0.000417088 0.000568221 0.000884829 0.001321504 0.001406626 0.001626461 0.002126432 0.002885122 0.003232194 0.003707862 0.004983350 0.005945496 0.006229931 0.008682907 0.009094030 0.009841071 0.011816448 0.014547190 0.015951783 0.019219168 0.021376363 0.024334187 0.026281733 0.027878265 0.028991390 0.031765232 0.032757937 0.037284493 0.038335322 0.040690740 0.041618602 0.046233394 0.047008169 0.049796958 0.050736068 0.051292072 0.051945752 0.052051287 0.055978127 0.056793437 0.057712706 0.060635129 0.065250195 0.067603901 0.073418559 0.074717261 0.076577605 0.077417303 0.078131375 0.079083649 0.081690252 0.083002577 0.087746167 0.101855051 0.102747397 0.107100834 0.108168937 0.112228112 0.113850931 0.114646992 0.118773818 0.126818452 0.132500873 0.138870916 0.145156724 0.148739469 0.152877342 0.158566140 0.161014744 0.163206812 0.170756656 0.175716187 0.177955214 0.191861161 0.199061183 0.203855780 0.211144286 0.212042263 0.222593576 0.249435785 0.256706557 0.295862067 0.310819069 0.349751345 0.366082035 0.414667748 0.439336217 0.479773460 0.527251912 0.540361063 0.595570132 0.609211916 0.634349090 0.672137037 0.733506388 0.740999728 0.753130680 0.762294047 0.765058531 0.775549936 0.782537395 0.786395939 0.792019954 0.795364104 0.805133634 0.811737155 0.818762892 0.848276002 0.855564586 0.858660252 0.859946551 0.862599865 0.879004974 0.893737456 0.903718703 0.917752969 0.919752339 0.923453348 0.944625549 0.977614576 1.436188421 1.527464748</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">25</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.89807537" y3="-4.07537041" z3="10.92850613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81015571" y3="-4.71175344" z3="10.87217617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.81918277" y3="-3.71320979" z3="11.96453862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.02455109" y3="-4.72288778" z3="10.72681929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96508988" y3="-2.91449665" z3="9.9405797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.04997034" y3="-2.30242672" z3="10.00620643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.79597338" y3="-2.21835897" z3="10.18757392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12624443" y3="-3.38648527" z3="8.49598081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.05735292" y3="-3.97127489" z3="8.38874939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.27285048" y3="-4.02618283" z3="8.21950449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.05413856" y3="-1.74192149" z3="7.16693389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18093065" y3="0.16108947" z3="5.75444251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20705721" y3="-0.27394957" z3="6.04356896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10255456" y3="1.25132052" z3="5.96441382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37868336" y3="0.01066392" z3="4.23418259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.5601331" y3="0.53894912" z3="3.70376209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3118256" y3="0.53234202" z3="3.94471583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46765712" y3="-1.43471827" z3="3.73328734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60620096" y3="-1.42062361" z3="2.63223293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37488723" y3="-1.89723581" z3="4.16182912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26866718" y3="-2.3246073" z3="4.08063161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.44446941" y3="-3.32786436" z3="3.64702576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22785964" y3="-2.4633057" z3="5.17564748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07219977" y3="-1.79358192" z3="3.57649982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34505116" y3="-0.84918977" z3="4.07942606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88533073" y3="-2.51558149" z3="3.77282122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04920847" y3="-1.59769988" z3="2.48674767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.98348085" y3="-2.32805722" z3="7.37360219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.24839805" y3="-0.46024649" z3="6.60924075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.28925689" y3="-0.20007127" z3="6.38639611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23535775" y3="-2.31238652" z3="7.60159017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.9299613" y3="0.72545668" z3="10.80153681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.1123165" y3="1.10846697" z3="11.82322268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.67086845" y3="1.19529572" z3="10.12799035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.13430092" y3="-0.36067368" z3="10.80442548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.49689371" y3="1.00535438" z3="10.33492271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.22250308" y3="0.54309709" z3="11.02678825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.6899638" y3="2.09585075" z3="10.36999628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.78498852" y3="0.46995677" z3="8.93077495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55433536" y3="-0.61073558" z3="8.89349616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.12342919" y3="0.95992057" z3="8.19285469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.25127731" y3="0.68915173" z3="8.54882675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.15475558" y3="0.32005714" z3="9.29997393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40844803" y3="1.57731113" z3="7.87793094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8981,-4.0754,10.9285;-3.8102,-4.7118,10.8722;-2.8192,-3.7132,11.9645;-2.0246,-4.7229,10.7268;-2.9651,-2.9145,9.9406;-2.05,-2.3024,10.0062;-3.796,-2.2184,10.1876;-3.1262,-3.3865,8.496;-4.0574,-3.9713,8.3887;-2.2729,-4.0262,8.2195;-2.0541,-1.7419,7.1669;-1.1809,.1611,5.7544;-.2071,-.2739,6.0436;-1.1026,1.2513,5.9644;-1.3787,.0107,4.2342;-.5601,.5389,3.7038;-2.3118,.5323,3.9447;-1.4677,-1.4347,3.7333;-1.6062,-1.4206,2.6322;-2.3749,-1.8972,4.1618;-.2687,-2.3246,4.0806;-.4445,-3.3279,3.647;-.2279,-2.4633,5.1756;1.0722,-1.7936,3.5765;1.3451,-.8492,4.0794;1.8853,-2.5156,3.7728;1.0492,-1.5977,2.4867;-.9835,-2.3281,7.3736;-2.2484,-.4602,6.6092;-3.2893,-.2001,6.3864;-3.2354,-2.3124,7.6016;.93,.7255,10.8015;1.1123,1.1085,11.8232;1.6709,1.1953,10.128;1.1343,-.3607,10.8044;-.4969,1.0054,10.3349;-1.2225,.5431,11.0268;-.69,2.0959,10.37;-.785,.47,8.9308;-.5543,-.6107,8.8935;-.1234,.9599,8.1929;-2.2513,.6892,8.5488;-3.1548,.3201,9.3;-2.4084,1.5773,7.8779;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605452152269</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010133213117 0.002011509718 0.041520929771 0.008703673155</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.015611224 -0.006839289 0.000208866 0.000397116 0.000422579 0.000571378 0.000886167 0.001321523 0.001406897 0.001626451 0.002130656 0.002885759 0.003289544 0.004042541 0.004983287 0.005949075 0.006233503 0.008688870 0.009296531 0.009859291 0.011819902 0.014547567 0.015943514 0.019222100 0.021382356 0.024333380 0.026282462 0.027876909 0.028990476 0.031765111 0.032758373 0.037327572 0.038347289 0.040698328 0.041625403 0.046233684 0.046998488 0.049798028 0.050743191 0.051316444 0.051964791 0.054684118 0.056052065 0.057442185 0.058234986 0.060994641 0.065266575 0.067723969 0.073467333 0.074737387 0.076601047 0.077404837 0.078153901 0.079126535 0.081797018 0.083361035 0.087751826 0.101988586 0.102757698 0.107100820 0.108169117 0.112229401 0.113859100 0.114649508 0.119443147 0.127023311 0.132506938 0.138879413 0.145156836 0.152308130 0.155596441 0.158545295 0.161147603 0.163524587 0.170758175 0.175741678 0.177955683 0.191981962 0.199338564 0.203879580 0.211109069 0.212039928 0.222590605 0.249433911 0.256954893 0.295922098 0.310909996 0.349862251 0.366088527 0.414714098 0.439623927 0.479809175 0.527252269 0.540374476 0.597190868 0.609220053 0.638045638 0.673666831 0.733530447 0.741003217 0.753146763 0.762287668 0.765062296 0.775549994 0.782632611 0.786395906 0.792030224 0.795379794 0.811286733 0.812366971 0.818836982 0.848302029 0.855577456 0.858673673 0.859991030 0.865998013 0.879014486 0.894157554 0.909117073 0.917754801 0.919767359 0.924022173 0.947209126 0.977625347 1.436190085 1.527465612</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">26</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.88938186" y3="-4.07162861" z3="10.92622066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8014567" y3="-4.69073543" z3="10.87227384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.78533881" y3="-3.71477184" z3="11.96747062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.03013394" y3="-4.73966335" z3="10.71638063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94192172" y3="-2.90498691" z3="9.94265203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-2.0185892" y3="-2.31090174" z3="9.99901866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.75445245" y3="-2.21626156" z3="10.1806519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12557413" y3="-3.37576587" z3="8.50179934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07160806" y3="-3.94883756" z3="8.41136195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.2839929" y3="-4.03294218" z3="8.20339848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.05798631" y3="-1.73907912" z3="7.16498372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.17998122" y3="0.16070075" z3="5.75167238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20693298" y3="-0.27537633" z3="6.04307624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10087865" y3="1.25086522" z3="5.96184802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37596939" y3="0.01031806" z3="4.23124223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55584042" y3="0.53679583" z3="3.70141386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.30798019" y3="0.53357908" z3="3.94106909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46757925" y3="-1.43529732" z3="3.73135553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60515821" y3="-1.42155195" z3="2.63017715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37615388" y3="-1.895683" z3="4.1596184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27059729" y3="-2.32746385" z3="4.08047055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.44788208" y3="-3.33066188" z3="3.64727089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.23120293" y3="-2.46556779" z3="5.17571947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07173296" y3="-1.79912345" z3="3.57712436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34598412" y3="-0.85509549" z3="4.08000169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88333137" y3="-2.52270597" z3="3.77416559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.04979124" y3="-1.60338575" z3="2.48732947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.98827978" y3="-2.32732636" z3="7.37339887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25029677" y3="-0.46009763" z3="6.60278706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29050391" y3="-0.19688963" z3="6.38102495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23908355" y3="-2.30680949" z3="7.6030011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.91856225" y3="0.71911895" z3="10.80955709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.09723757" y3="1.09773254" z3="11.83347511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.66211845" y3="1.19148787" z3="10.1406982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.12192629" y3="-0.36722075" z3="10.80863135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.50620574" y3="1.0017881" z3="10.33901132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.23472495" y3="0.53691146" z3="11.02606105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.6990428" y3="2.09219188" z3="10.37775172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.79032832" y3="0.47223986" z3="8.93201766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55965261" y3="-0.60855283" z3="8.8905164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.12759325" y3="0.96513269" z3="8.19740118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.25516554" y3="0.69557884" z3="8.54868005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.161868" y3="0.32905933" z3="9.29634579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40970824" y3="1.5802705" z3="7.87224722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8894,-4.0716,10.9262;-3.8015,-4.6907,10.8723;-2.7853,-3.7148,11.9675;-2.0301,-4.7397,10.7164;-2.9419,-2.905,9.9427;-2.0186,-2.3109,9.999;-3.7545,-2.2163,10.1807;-3.1256,-3.3758,8.5018;-4.0716,-3.9488,8.4114;-2.284,-4.0329,8.2034;-2.058,-1.7391,7.165;-1.18,.1607,5.7517;-.2069,-.2754,6.0431;-1.1009,1.2509,5.9618;-1.376,.0103,4.2312;-.5558,.5368,3.7014;-2.308,.5336,3.9411;-1.4676,-1.4353,3.7314;-1.6052,-1.4216,2.6302;-2.3762,-1.8957,4.1596;-.2706,-2.3275,4.0805;-.4479,-3.3307,3.6473;-.2312,-2.4656,5.1757;1.0717,-1.7991,3.5771;1.346,-.8551,4.08;1.8833,-2.5227,3.7742;1.0498,-1.6034,2.4873;-.9883,-2.3273,7.3734;-2.2503,-.4601,6.6028;-3.2905,-.1969,6.381;-3.2391,-2.3068,7.603;.9186,.7191,10.8096;1.0972,1.0977,11.8335;1.6621,1.1915,10.1407;1.1219,-.3672,10.8086;-.5062,1.0018,10.339;-1.2347,.5369,11.0261;-.699,2.0922,10.3778;-.7903,.4722,8.932;-.5597,-.6086,8.8905;-.1276,.9651,8.1974;-2.2552,.6956,8.5487;-3.1619,.3291,9.2963;-2.4097,1.5803,7.8722;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605475532929</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010807208851 0.002083272768 0.037425319384 0.008704105723</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.015675387 -0.008146116 0.000210476 0.000397164 0.000422984 0.000573720 0.000887744 0.001332792 0.001406939 0.001629034 0.002132968 0.002885961 0.003288990 0.004047185 0.004989093 0.005950107 0.006233196 0.008701924 0.009355844 0.009885239 0.011823892 0.014548044 0.016233563 0.019228138 0.021384559 0.024335261 0.026282786 0.027881536 0.028996361 0.031765416 0.032761047 0.037327557 0.038524210 0.040698754 0.041630091 0.046254087 0.047190552 0.049798351 0.050743012 0.051327942 0.051974090 0.055543362 0.056184363 0.057593987 0.060050799 0.063463359 0.065322119 0.068389212 0.073488396 0.074735389 0.076597381 0.077458891 0.078186071 0.079245687 0.081884869 0.083789919 0.087752712 0.102636824 0.103789675 0.107100862 0.108242354 0.112254693 0.113912133 0.114723414 0.120509588 0.127008248 0.132506821 0.138879294 0.145157011 0.152537242 0.156731247 0.159376333 0.161503196 0.164849269 0.170763043 0.175767334 0.177956250 0.192137345 0.199421489 0.203872655 0.211085513 0.212038607 0.222589635 0.249433928 0.257145643 0.296042353 0.311058539 0.350092134 0.366099641 0.414808850 0.440476113 0.479922097 0.527256964 0.540374090 0.598880999 0.609237231 0.643968216 0.677706692 0.733631429 0.741029831 0.753336234 0.762815060 0.765072029 0.775549801 0.782653037 0.786396553 0.792030807 0.795393644 0.811650679 0.818334328 0.821245772 0.848337699 0.855579372 0.858821193 0.860610411 0.865940785 0.879025967 0.894319189 0.914613147 0.917760729 0.919798203 0.925134323 0.948245027 0.977627280 1.436195836 1.527468609</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">27</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.87797933" y3="-4.07171909" z3="10.92394256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81065376" y3="-4.67302366" z3="10.88822315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.75126143" y3="-3.71310646" z3="11.9641967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.03405032" y3="-4.74830111" z3="10.70138953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.92447074" y3="-2.91093301" z3="9.93643841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.98116388" y3="-2.33634798" z3="9.98145037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.72290577" y3="-2.17961571" z3="10.1973526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12707565" y3="-3.37427659" z3="8.50084492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07303006" y3="-3.93815022" z3="8.41975733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.29536418" y3="-4.03223502" z3="8.20129116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.05977293" y3="-1.73618025" z3="7.16356508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.17964088" y3="0.16137154" z3="5.74965295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20769225" y3="-0.2760867" z3="6.04254145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.09914921" y3="1.25160062" z3="5.95912269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37401342" y3="0.01011213" z3="4.2290684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.5524658" y3="0.53491974" z3="3.69960802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.30494672" y3="0.53473902" z3="3.93741047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46743044" y3="-1.43574473" z3="3.73009379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6042226" y3="-1.42246193" z3="2.62880141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37711807" y3="-1.89438241" z3="4.15796788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27211874" y3="-2.32965435" z3="4.0805684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45072258" y3="-3.33286719" z3="3.64788403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.23371028" y3="-2.46723187" z3="5.17590408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0713735" y3="-1.80369093" z3="3.57771482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34685297" y3="-0.8598684" z3="4.08031716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88179987" y3="-2.52844311" z3="3.77543123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.05032418" y3="-1.60829626" z3="2.48780513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99048953" y3="-2.32544327" z3="7.3695695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25142648" y3="-0.45725653" z3="6.60064973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.2912462" y3="-0.193701" z3="6.37704429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24020807" y3="-2.30051249" z3="7.60662422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.90757914" y3="0.71306773" z3="10.81665772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.08280959" y3="1.08761878" z3="11.8426968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.65382981" y3="1.18779905" z3="10.15238488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.11058394" y3="-0.37329028" z3="10.81235383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.51554072" y3="0.99822078" z3="10.34220978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.24661038" y3="0.53099325" z3="11.02488843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.70789214" y3="2.0886335" z3="10.38457877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.79551582" y3="0.47434072" z3="8.93216067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.56448336" y3="-0.60616754" z3="8.88728138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.13051227" y3="0.96991519" z3="8.20115317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2593719" y3="0.69855998" z3="8.54452906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.16802581" y3="0.33309445" z3="9.2906513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41123305" y3="1.58338892" z3="7.86859559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.878,-4.0717,10.9239;-3.8107,-4.673,10.8882;-2.7513,-3.7131,11.9642;-2.0341,-4.7483,10.7014;-2.9245,-2.9109,9.9364;-1.9812,-2.3363,9.9815;-3.7229,-2.1796,10.1974;-3.1271,-3.3743,8.5008;-4.073,-3.9382,8.4198;-2.2954,-4.0322,8.2013;-2.0598,-1.7362,7.1636;-1.1796,.1614,5.7497;-.2077,-.2761,6.0425;-1.0991,1.2516,5.9591;-1.374,.0101,4.2291;-.5525,.5349,3.6996;-2.3049,.5347,3.9374;-1.4674,-1.4357,3.7301;-1.6042,-1.4225,2.6288;-2.3771,-1.8944,4.158;-.2721,-2.3297,4.0806;-.4507,-3.3329,3.6479;-.2337,-2.4672,5.1759;1.0714,-1.8037,3.5777;1.3469,-.8599,4.0803;1.8818,-2.5284,3.7754;1.0503,-1.6083,2.4878;-.9905,-2.3254,7.3696;-2.2514,-.4573,6.6006;-3.2912,-.1937,6.377;-3.2402,-2.3005,7.6066;.9076,.7131,10.8167;1.0828,1.0876,11.8427;1.6538,1.1878,10.1524;1.1106,-.3733,10.8124;-.5155,.9982,10.3422;-1.2466,.531,11.0249;-.7079,2.0886,10.3846;-.7955,.4743,8.9322;-.5645,-.6062,8.8873;-.1305,.9699,8.2012;-2.2594,.6986,8.5445;-3.168,.3331,9.2907;-2.4112,1.5834,7.8686;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605502254013</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010496467453 0.002117404532 0.044330644906 0.008704186856</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.015839785 -0.006794010 0.000212889 0.000399981 0.000424763 0.000576795 0.000892495 0.001331911 0.001406831 0.001630154 0.002134826 0.002886038 0.003296359 0.004155837 0.004990353 0.005950110 0.006237373 0.008726543 0.009363307 0.009883338 0.011827490 0.014549610 0.016880017 0.019227867 0.021385015 0.024335465 0.026283034 0.027881929 0.028999721 0.031765407 0.032761144 0.037327459 0.038823084 0.040700574 0.041630638 0.046262939 0.047371810 0.049799424 0.050742502 0.051338228 0.051990533 0.055588149 0.056212023 0.057600404 0.060226097 0.064836591 0.065553937 0.069221191 0.073507604 0.074730927 0.076594712 0.077442778 0.078198013 0.079259130 0.081902906 0.083951912 0.087752426 0.102668082 0.106168986 0.107102791 0.108610872 0.112315419 0.113999288 0.114950833 0.122679707 0.127623504 0.132506909 0.138880925 0.145157308 0.152563419 0.156717376 0.160121542 0.161788586 0.167163635 0.170775719 0.175799714 0.177962897 0.192420110 0.199556308 0.203866735 0.211068625 0.212037131 0.222589341 0.249431234 0.257267884 0.296174022 0.311276435 0.350463879 0.366121837 0.414975778 0.442110590 0.480286696 0.527264638 0.540449823 0.599300780 0.609242528 0.647057730 0.681734036 0.733738264 0.741046789 0.753514023 0.763558279 0.765108176 0.775549654 0.782652830 0.786396595 0.792078728 0.795408715 0.811675044 0.818622198 0.830023308 0.848382091 0.855580540 0.858973064 0.862453182 0.869397912 0.879029684 0.894380058 0.917727967 0.918906545 0.920001695 0.928558304 0.948412957 0.977633199 1.436230434 1.527477621</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">28</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86707375" y3="-4.06463926" z3="10.9263472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80684906" y3="-4.64829764" z3="10.8978229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.73201112" y3="-3.70944563" z3="11.95922802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.03884136" y3="-4.76717299" z3="10.69627516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.89737756" y3="-2.90013122" z3="9.93929055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.94392502" y3="-2.34407836" z3="9.96888187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.67857513" y3="-2.17647071" z3="10.19794709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13198579" y3="-3.3692299" z3="8.50148585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.09167313" y3="-3.91979134" z3="8.43431482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.31324767" y3="-4.04508474" z3="8.18522883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0619212" y3="-1.73428972" z3="7.16327775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.17876351" y3="0.16294989" z3="5.750219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20725368" y3="-0.27511066" z3="6.04302996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.09687044" y3="1.25330452" z3="5.95775508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37349607" y3="0.00961036" z3="4.2298204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55127755" y3="0.53315828" z3="3.70033224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3035808" y3="0.53485058" z3="3.93691191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46764627" y3="-1.43625319" z3="3.73110216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60443588" y3="-1.4229905" z3="2.6298113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37759388" y3="-1.89442428" z3="4.15862811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27300598" y3="-2.33097514" z3="4.08126853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.452737" y3="-3.33406341" z3="3.64882898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.23441124" y3="-2.46815629" z3="5.17656544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07088722" y3="-1.80666474" z3="3.57813047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34740124" y3="-0.86295118" z3="4.08032858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88044372" y3="-2.53218048" z3="3.77633175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.05021082" y3="-1.61196799" z3="2.48811377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99401033" y3="-2.32677307" z3="7.36598565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25063932" y3="-0.45135337" z3="6.6049302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.2900681" y3="-0.18897668" z3="6.37798144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24259244" y3="-2.2954606" z3="7.60681173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.89522645" y3="0.70762244" z3="10.82293124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.06582547" y3="1.07835226" z3="11.85116268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.64463586" y3="1.18454801" z3="10.16386143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.09844903" y3="-0.37871858" z3="10.81561714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.52574671" y3="0.99429589" z3="10.34268429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.2599966" y3="0.5244006" z3="11.02009502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.71870755" y3="2.08441419" z3="10.38835471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.79805506" y3="0.47492304" z3="8.92947523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.56381019" y3="-0.60467019" z3="8.88311922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.13020933" y3="0.97418555" z3="8.20341922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.26122803" y3="0.69577374" z3="8.53430798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.17159538" y3="0.33068179" z3="9.27977965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41022947" y3="1.58663805" z3="7.86457827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8671,-4.0646,10.9263;-3.8068,-4.6483,10.8978;-2.732,-3.7094,11.9592;-2.0388,-4.7672,10.6963;-2.8974,-2.9001,9.9393;-1.9439,-2.3441,9.9689;-3.6786,-2.1765,10.1979;-3.132,-3.3692,8.5015;-4.0917,-3.9198,8.4343;-2.3132,-4.0451,8.1852;-2.0619,-1.7343,7.1633;-1.1788,.1629,5.7502;-.2073,-.2751,6.043;-1.0969,1.2533,5.9578;-1.3735,.0096,4.2298;-.5513,.5332,3.7003;-2.3036,.5349,3.9369;-1.4676,-1.4363,3.7311;-1.6044,-1.423,2.6298;-2.3776,-1.8944,4.1586;-.273,-2.331,4.0813;-.4527,-3.3341,3.6488;-.2344,-2.4682,5.1766;1.0709,-1.8067,3.5781;1.3474,-.863,4.0803;1.8804,-2.5322,3.7763;1.0502,-1.612,2.4881;-.994,-2.3268,7.366;-2.2506,-.4514,6.6049;-3.2901,-.189,6.378;-3.2426,-2.2955,7.6068;.8952,.7076,10.8229;1.0658,1.0784,11.8512;1.6446,1.1845,10.1639;1.0984,-.3787,10.8156;-.5257,.9943,10.3427;-1.26,.5244,11.0201;-.7187,2.0844,10.3884;-.7981,.4749,8.9295;-.5638,-.6047,8.8831;-.1302,.9742,8.2034;-2.2612,.6958,8.5343;-3.1716,.3307,9.2798;-2.4102,1.5866,7.8646;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605582360422</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009993001559 0.001628231203 0.045524750989 0.008704251418</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.016765832 -0.004792430 0.000212447 0.000399771 0.000428218 0.000576891 0.000892991 0.001331333 0.001407481 0.001629846 0.002139720 0.002888075 0.003318271 0.004582859 0.004995270 0.005951069 0.006240988 0.008738880 0.009405757 0.009887280 0.011827360 0.014552214 0.017484347 0.019227691 0.021384341 0.024335985 0.026283268 0.027886533 0.029007381 0.031765723 0.032769730 0.037355224 0.039147011 0.040713438 0.041630894 0.046263960 0.047385234 0.049799429 0.050741746 0.051341640 0.052000907 0.055606542 0.056212888 0.057600635 0.060215783 0.064818522 0.065572200 0.069191226 0.073523050 0.074782488 0.076672367 0.077613162 0.078197309 0.079312482 0.081905455 0.083939272 0.087753375 0.102671741 0.106926169 0.107122287 0.109102686 0.112355681 0.114039721 0.115119661 0.124738486 0.130577863 0.132509360 0.138890692 0.145157969 0.152581378 0.156865553 0.160169226 0.161811941 0.168744364 0.170786148 0.175857390 0.177969354 0.193592873 0.199656332 0.204003726 0.211560462 0.212064248 0.222622141 0.249428697 0.257571236 0.296150515 0.311281212 0.350564209 0.366145847 0.415057852 0.443333347 0.480632271 0.527265267 0.540576431 0.599351271 0.609242980 0.647944396 0.683407785 0.733784940 0.741050794 0.753626000 0.764466984 0.765420034 0.775549644 0.782803956 0.786398883 0.793048412 0.795475540 0.811690124 0.818661609 0.836182206 0.848431864 0.855582379 0.858999830 0.863012345 0.875841577 0.879036746 0.894390921 0.917733157 0.919313232 0.920244712 0.929622588 0.948450399 0.977635028 1.436286340 1.527477122</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">29</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85344182" y3="-4.06546402" z3="10.92207362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80739538" y3="-4.63101738" z3="10.910739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.68648637" y3="-3.70744664" z3="11.95967385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.04173649" y3="-4.77129537" z3="10.68655871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.87726626" y3="-2.90336137" z3="9.93433452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.92658316" y3="-2.36263545" z3="9.96305904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.64317853" y3="-2.15151604" z3="10.204409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13041755" y3="-3.36231923" z3="8.5031086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.0958497" y3="-3.90321221" z3="8.44931967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.3233548" y3="-4.04459629" z3="8.1803254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06416794" y3="-1.73106163" z3="7.15937741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.17887713" y3="0.16304656" z3="5.74487177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20830218" y3="-0.27550421" z3="6.04066269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.09722998" y3="1.25332543" z3="5.95321995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36986374" y3="0.00995987" z3="4.22394282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.54525607" y3="0.53130318" z3="3.69581064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.29835997" y3="0.53701261" z3="3.92897505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46673459" y3="-1.43635842" z3="3.72692877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60188473" y3="-1.42425851" z3="2.62540846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37844007" y3="-1.89160704" z3="4.15415686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27473317" y3="-2.33349553" z3="4.08045281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45609271" y3="-3.33685715" z3="3.64926144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.23820807" y3="-2.46916148" z3="5.17609433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07112494" y3="-1.81282122" z3="3.57843964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34904557" y3="-0.86912303" z3="4.07993397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87884751" y3="-2.5400078" z3="3.77850508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.05221611" y3="-1.61917928" z3="2.48816014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99600053" y3="-2.323681" z3="7.36381033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.2534246" y3="-0.45297406" z3="6.59409987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29244876" y3="-0.18743542" z3="6.36993905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24451094" y3="-2.29053222" z3="7.60766965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.88457205" y3="0.69815222" z3="10.83121255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.05245139" y3="1.06336175" z3="11.86183585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.6365881" y3="1.17747676" z3="10.17688718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.08571479" y3="-0.38857407" z3="10.81897111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.53436369" y3="0.98972002" z3="10.3487574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.27106557" y3="0.51712603" z3="11.02158279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.72584658" y3="2.07991554" z3="10.39964356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.80528512" y3="0.47849366" z3="8.93247138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.57156328" y3="-0.60111408" z3="8.87921319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.13764707" y3="0.98147772" z3="8.20901697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.26718773" y3="0.70492742" z3="8.53878343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.18084396" y3="0.34160308" z3="9.27996281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41487399" y3="1.58909562" z3="7.86071249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8534,-4.0655,10.9221;-3.8074,-4.631,10.9107;-2.6865,-3.7074,11.9597;-2.0417,-4.7713,10.6866;-2.8773,-2.9034,9.9343;-1.9266,-2.3626,9.9631;-3.6432,-2.1515,10.2044;-3.1304,-3.3623,8.5031;-4.0958,-3.9032,8.4493;-2.3234,-4.0446,8.1803;-2.0642,-1.7311,7.1594;-1.1789,.163,5.7449;-.2083,-.2755,6.0407;-1.0972,1.2533,5.9532;-1.3699,.01,4.2239;-.5453,.5313,3.6958;-2.2984,.537,3.929;-1.4667,-1.4364,3.7269;-1.6019,-1.4243,2.6254;-2.3784,-1.8916,4.1542;-.2747,-2.3335,4.0805;-.4561,-3.3369,3.6493;-.2382,-2.4692,5.1761;1.0711,-1.8128,3.5784;1.349,-.8691,4.0799;1.8788,-2.54,3.7785;1.0522,-1.6192,2.4882;-.996,-2.3237,7.3638;-2.2534,-.453,6.5941;-3.2924,-.1874,6.3699;-3.2445,-2.2905,7.6077;.8846,.6982,10.8312;1.0525,1.0634,11.8618;1.6366,1.1775,10.1769;1.0857,-.3886,10.819;-.5344,.9897,10.3488;-1.2711,.5171,11.0216;-.7258,2.0799,10.3996;-.8053,.4785,8.9325;-.5716,-.6011,8.8792;-.1376,.9815,8.209;-2.2672,.7049,8.5388;-3.1808,.3416,9.28;-2.4149,1.5891,7.8607;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605565125493</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011506988140 0.002018977967 0.051551912902 0.008704294082</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.018014215 -0.008761658 0.000212074 0.000399532 0.000433682 0.000579881 0.000974838 0.001331167 0.001408233 0.001645665 0.002198690 0.002889649 0.003327149 0.004775823 0.005003253 0.005959322 0.006243345 0.008738122 0.009401895 0.009893338 0.011828022 0.014560845 0.017495551 0.019227783 0.021383392 0.024336659 0.026283874 0.027886530 0.029033576 0.031767911 0.032776039 0.037494384 0.039392378 0.040754300 0.041632046 0.046266268 0.047512935 0.049800563 0.050740477 0.051341261 0.052002558 0.055852892 0.056417251 0.057635370 0.060535940 0.065174462 0.066182149 0.069500498 0.073526949 0.074922349 0.076778771 0.078078915 0.078224712 0.079557973 0.081919600 0.083938313 0.087752983 0.102671567 0.106890706 0.107124298 0.109096088 0.112353428 0.114041900 0.115132244 0.125415156 0.132491095 0.137972002 0.139093721 0.145174282 0.152988483 0.156907919 0.160627770 0.162010847 0.169095634 0.170784692 0.175921451 0.177969029 0.195476802 0.199655001 0.204577083 0.212003036 0.213422373 0.222720220 0.249426517 0.258100836 0.296136095 0.311312261 0.350668997 0.366160700 0.415110126 0.443923297 0.480800408 0.527265061 0.540661001 0.599367343 0.609246414 0.647920582 0.683362198 0.733784552 0.741055547 0.753623556 0.764515275 0.765514258 0.775549425 0.783100045 0.786403440 0.795043855 0.796796982 0.811732538 0.818697890 0.844095939 0.848683259 0.855584557 0.859032220 0.863205231 0.879029812 0.881235137 0.894391529 0.917737711 0.919334395 0.920243771 0.929685872 0.949786364 0.977644636 1.436309062 1.527480606</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">30</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8452768" y3="-4.05687392" z3="10.92616371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8043069" y3="-4.60632043" z3="10.9217162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.66769445" y3="-3.70846452" z3="11.95615448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.04688323" y3="-4.79402856" z3="10.67017126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.86582875" y3="-2.89584878" z3="9.936525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.87503125" y3="-2.37824898" z3="9.94256532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.61425521" y3="-2.13884718" z3="10.20857881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1335025" y3="-3.3568474" z3="8.50888151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.09269999" y3="-3.89171756" z3="8.45888816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.33550789" y3="-4.04237125" z3="8.18317185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06571085" y3="-1.72820578" z3="7.16006941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.17821052" y3="0.16536693" z3="5.74570481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.20799005" y3="-0.27370428" z3="6.04151141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.09517131" y3="1.25597203" z3="5.95139212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36970844" y3="0.00960884" z3="4.22511647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.5443825" y3="0.52950416" z3="3.69682041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.29725522" y3="0.53751085" z3="3.92890026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46758499" y3="-1.43669312" z3="3.72817539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60272774" y3="-1.42420889" z3="2.62665852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37983012" y3="-1.89142228" z3="4.15472147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27650623" y3="-2.33511764" z3="4.08114009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45953953" y3="-3.33838137" z3="3.65038164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.23960022" y3="-2.47033894" z3="5.17670411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.06996887" y3="-1.81682382" z3="3.57851525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34935581" y3="-0.87301829" z3="4.07901029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87652795" y3="-2.54499803" z3="3.77946577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0515947" y3="-1.62446076" z3="2.48802606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99832148" y3="-2.32283485" z3="7.358628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25264506" y3="-0.44514519" z3="6.60043009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29140187" y3="-0.18154503" z3="6.37157808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24492257" y3="-2.28387128" z3="7.61245932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.87111002" y3="0.69104018" z3="10.83761849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.03420003" y3="1.05199422" z3="11.87063123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.62717167" y3="1.17225011" z3="10.18906624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.07182216" y3="-0.39570484" z3="10.82225952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.54543603" y3="0.98512639" z3="10.34840552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.28621146" y3="0.51013039" z3="11.01531134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73683467" y3="2.07510797" z3="10.40271724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.80765897" y3="0.47924781" z3="8.92832315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.57040359" y3="-0.5992637" z3="8.87364526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.1359133" y3="0.98626351" z3="8.21085137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.26893921" y3="0.70185847" z3="8.52438672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.18414685" y3="0.34009149" z3="9.26628233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41207326" y3="1.59362062" z3="7.85464918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8453,-4.0569,10.9262;-3.8043,-4.6063,10.9217;-2.6677,-3.7085,11.9562;-2.0469,-4.794,10.6702;-2.8658,-2.8958,9.9365;-1.875,-2.3782,9.9426;-3.6143,-2.1388,10.2086;-3.1335,-3.3568,8.5089;-4.0927,-3.8917,8.4589;-2.3355,-4.0424,8.1832;-2.0657,-1.7282,7.1601;-1.1782,.1654,5.7457;-.208,-.2737,6.0415;-1.0952,1.256,5.9514;-1.3697,.0096,4.2251;-.5444,.5295,3.6968;-2.2973,.5375,3.9289;-1.4676,-1.4367,3.7282;-1.6027,-1.4242,2.6267;-2.3798,-1.8914,4.1547;-.2765,-2.3351,4.0811;-.4595,-3.3384,3.6504;-.2396,-2.4703,5.1767;1.07,-1.8168,3.5785;1.3494,-.873,4.079;1.8765,-2.545,3.7795;1.0516,-1.6245,2.488;-.9983,-2.3228,7.3586;-2.2526,-.4451,6.6004;-3.2914,-.1815,6.3716;-3.2449,-2.2839,7.6125;.8711,.691,10.8376;1.0342,1.052,11.8706;1.6272,1.1723,10.1891;1.0718,-.3957,10.8223;-.5454,.9851,10.3484;-1.2862,.5101,11.0153;-.7368,2.0751,10.4027;-.8077,.4792,8.9283;-.5704,-.5993,8.8736;-.1359,.9863,8.2109;-2.2689,.7019,8.5244;-3.1841,.3401,9.2663;-2.4121,1.5936,7.8546;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605400219708</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.016888393107 0.003247203254 0.036692483867 0.008704309088</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.023611899 -0.012878572 0.000215045 0.000399768 0.000438707 0.000583977 0.001000136 0.001330914 0.001408219 0.001657561 0.002219091 0.002890831 0.003333890 0.004884168 0.005067726 0.005958640 0.006261275 0.008789037 0.009540955 0.009943878 0.011830192 0.014565468 0.018478100 0.019238764 0.021385905 0.024361156 0.026284513 0.027897449 0.029076713 0.031776230 0.032776081 0.037853886 0.039458136 0.040766170 0.041632082 0.046270779 0.047834465 0.049803715 0.050739836 0.051348109 0.052003683 0.055936399 0.056688173 0.057682001 0.060850801 0.065268173 0.067940875 0.072859534 0.073530281 0.075198330 0.076861796 0.078180493 0.078533597 0.079764368 0.081916501 0.084140544 0.087776132 0.102672689 0.107107987 0.107357735 0.109405794 0.112381725 0.114047294 0.115158841 0.125624745 0.132490296 0.138846099 0.144648469 0.145627979 0.153667787 0.157974451 0.161473585 0.167621923 0.170545110 0.170954753 0.176152199 0.177972629 0.197178743 0.200283162 0.206321674 0.212030196 0.220525301 0.223308827 0.249427863 0.258923781 0.296137905 0.311343639 0.350723594 0.366163921 0.415105971 0.443925389 0.480826738 0.527274972 0.540744477 0.599381390 0.609249406 0.648099163 0.684141153 0.733822641 0.741065314 0.753635699 0.764522613 0.765578467 0.775549405 0.783498348 0.786406434 0.795275657 0.804661937 0.811841840 0.818766166 0.848185906 0.855581709 0.858472293 0.861156105 0.863842592 0.879034659 0.886837887 0.894460302 0.917755326 0.919728369 0.921032325 0.932257990 0.957750758 0.977726239 1.436312263 1.527483783</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">31</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83624231" y3="-4.05862281" z3="10.92555512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80617114" y3="-4.59602844" z3="10.92819045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.65847112" y3="-3.70913285" z3="11.94973105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.05132557" y3="-4.79029808" z3="10.68000306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.8372071" y3="-2.89508245" z3="9.93605817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.8658021" y3="-2.385881" z3="9.94331467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.57756272" y3="-2.12388568" z3="10.21408992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12949032" y3="-3.35587948" z3="8.5074267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11380778" y3="-3.88056455" z3="8.47657388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.33957045" y3="-4.05911971" z3="8.16847306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06596767" y3="-1.72729411" z3="7.15553261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18123112" y3="0.16277558" z3="5.73619775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21145562" y3="-0.27468985" z3="6.03629662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10162098" y3="1.2531887" z3="5.94590803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36559301" y3="0.0104863" z3="4.21425368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.53786374" y3="0.52951983" z3="3.68876317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.29194327" y3="0.53940153" z3="3.91577181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46477533" y3="-1.43632383" z3="3.71949194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59701141" y3="-1.42624558" z3="2.61758864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37855512" y3="-1.88787675" z3="4.14595619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27620264" y3="-2.33578045" z3="4.07864099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45905785" y3="-3.3397362" z3="3.64953397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.24289681" y3="-2.46883726" z3="5.17483351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07210312" y3="-1.81973314" z3="3.57860686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35115882" y3="-0.87565378" z3="4.0787104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87764815" y3="-2.5483386" z3="3.78191269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.05596725" y3="-1.62830932" z3="2.48786741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99665707" y3="-2.31868512" z3="7.36379837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25835443" y3="-0.4584329" z3="6.57669967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29723067" y3="-0.18844044" z3="6.35824724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24542834" y3="-2.28490078" z3="7.61246579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.86947895" y3="0.68363356" z3="10.84212906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.03406151" y3="1.04020808" z3="11.87606051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.62469121" y3="1.16646689" z3="10.19466437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.06782772" y3="-0.40342818" z3="10.82188045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.54674733" y3="0.9830559" z3="10.35804667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.2860998" y3="0.50639874" z3="11.02443886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73593913" y3="2.07323992" z3="10.41818015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.81663117" y3="0.48570794" z3="8.93671489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58517145" y3="-0.59400945" z3="8.87207773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14913599" y3="0.99405996" z3="8.21739655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.27662499" y3="0.72103469" z3="8.5473117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.19271963" y3="0.35905854" z3="9.28238237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42473332" y3="1.59236195" z3="7.85459611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8362,-4.0586,10.9256;-3.8062,-4.596,10.9282;-2.6585,-3.7091,11.9497;-2.0513,-4.7903,10.68;-2.8372,-2.8951,9.9361;-1.8658,-2.3859,9.9433;-3.5776,-2.1239,10.2141;-3.1295,-3.3559,8.5074;-4.1138,-3.8806,8.4766;-2.3396,-4.0591,8.1685;-2.066,-1.7273,7.1555;-1.1812,.1628,5.7362;-.2115,-.2747,6.0363;-1.1016,1.2532,5.9459;-1.3656,.0105,4.2143;-.5379,.5295,3.6888;-2.2919,.5394,3.9158;-1.4648,-1.4363,3.7195;-1.597,-1.4262,2.6176;-2.3786,-1.8879,4.146;-.2762,-2.3358,4.0786;-.4591,-3.3397,3.6495;-.2429,-2.4688,5.1748;1.0721,-1.8197,3.5786;1.3512,-.8757,4.0787;1.8776,-2.5483,3.7819;1.056,-1.6283,2.4879;-.9967,-2.3187,7.3638;-2.2584,-.4584,6.5767;-3.2972,-.1884,6.3582;-3.2454,-2.2849,7.6125;.8695,.6836,10.8421;1.0341,1.0402,11.8761;1.6247,1.1665,10.1947;1.0678,-.4034,10.8219;-.5467,.9831,10.358;-1.2861,.5064,11.0244;-.7359,2.0732,10.4182;-.8166,.4857,8.9367;-.5852,-.594,8.8721;-.1491,.9941,8.2174;-2.2766,.721,8.5473;-3.1927,.3591,9.2824;-2.4247,1.5924,7.8546;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605544785720</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011463168956 0.002238771864 0.054866752810 0.008704225775</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.030935003 -0.005554669 0.000215458 0.000399691 0.000438749 0.000586071 0.001002729 0.001335303 0.001408135 0.001664524 0.002235166 0.002891353 0.003344511 0.004962471 0.005402062 0.005960850 0.006291733 0.008875465 0.009528104 0.009935754 0.011840165 0.014565048 0.019229975 0.021373749 0.022982354 0.024495899 0.026288926 0.027932552 0.029135852 0.031789976 0.032779860 0.038262784 0.039798157 0.040809220 0.041632313 0.046273277 0.048155251 0.049806812 0.050739179 0.051365479 0.052027771 0.055942538 0.056693501 0.057679736 0.060867009 0.065268200 0.067939158 0.073510708 0.074753540 0.076187981 0.076869274 0.078183032 0.078471671 0.079910990 0.082045317 0.084543044 0.087821741 0.102674527 0.107110585 0.107933519 0.110943139 0.112579141 0.114094589 0.115379449 0.125693750 0.132493730 0.138856400 0.144694482 0.145745908 0.153642785 0.159182219 0.161692710 0.167664306 0.170783929 0.175070192 0.177945756 0.178253177 0.197185882 0.201461134 0.207524175 0.212077237 0.222486878 0.225196631 0.249460693 0.258792517 0.296296899 0.311354596 0.350719237 0.366169840 0.415216012 0.446242254 0.482140791 0.527316773 0.542202581 0.600243569 0.609248003 0.648100049 0.684757441 0.733864086 0.741074108 0.753640776 0.764537099 0.765657611 0.775548940 0.783702176 0.786407060 0.795295504 0.809982031 0.812435775 0.818851055 0.848244392 0.855583336 0.858837466 0.863197079 0.878101347 0.879764010 0.886824273 0.894507926 0.917755757 0.919880914 0.921205701 0.932176641 0.962147505 0.977729825 1.436318943 1.527488896</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">32</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8300901" y3="-4.05336791" z3="10.92566238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81305451" y3="-4.56998122" z3="10.9470696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.60360436" y3="-3.69916129" z3="11.96093951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.06202045" y3="-4.81045049" z3="10.66085103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.8243813" y3="-2.89429447" z3="9.9341613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.84348467" y3="-2.39942638" z3="9.93047612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.5497932" y3="-2.11651397" z3="10.21609301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13224136" y3="-3.35104175" z3="8.50988438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10292329" y3="-3.87124853" z3="8.48103415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.35174791" y3="-4.05287659" z3="8.17002422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06797429" y3="-1.72469719" z3="7.15488851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18143438" y3="0.16371108" z3="5.73388221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.211958" y3="-0.27347592" z3="6.03506494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10198676" y3="1.25440423" z3="5.94246191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.3637982" y3="0.01036763" z3="4.21183012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.53440006" y3="0.52804344" z3="3.68767604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28878607" y3="0.54043683" z3="3.91123492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46409515" y3="-1.43631901" z3="3.71700982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59459783" y3="-1.4261621" z3="2.6148859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37917104" y3="-1.886672" z3="4.14192961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2774342" y3="-2.33731438" z3="4.07797747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46173024" y3="-3.34138289" z3="3.64967342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.24515453" y3="-2.46921744" z3="5.17424433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0722331" y3="-1.82423617" z3="3.57863176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35242594" y3="-0.87992119" z3="4.07771603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87623372" y3="-2.55404769" z3="3.78390839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.05765884" y3="-1.6344198" z3="2.48759781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99878345" y3="-2.31658781" z3="7.36299906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25907049" y3="-0.45589991" z3="6.57530771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29784878" y3="-0.18574702" z3="6.35629959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24788472" y3="-2.27998614" z3="7.61395105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85831011" y3="0.67427661" z3="10.84856561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02036959" y3="1.02546263" z3="11.8849331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61683241" y3="1.15877648" z3="10.20574642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.05455757" y3="-0.41306203" z3="10.82364941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55616826" y3="0.97866139" z3="10.36143341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29870396" y3="0.4995675" z3="11.02310746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74373991" y3="2.06875621" z3="10.42669597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82173732" y3="0.48881405" z3="8.93635175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58974599" y3="-0.59025717" z3="8.86733892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15111083" y3="1.00062676" z3="8.22156233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28098679" y3="0.72475295" z3="8.54225668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.1991678" y3="0.36445275" z3="9.27603556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42617286" y3="1.59604525" z3="7.84932995">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8301,-4.0534,10.9257;-3.8131,-4.57,10.9471;-2.6036,-3.6992,11.9609;-2.062,-4.8105,10.6609;-2.8244,-2.8943,9.9342;-1.8435,-2.3994,9.9305;-3.5498,-2.1165,10.2161;-3.1322,-3.351,8.5099;-4.1029,-3.8712,8.481;-2.3517,-4.0529,8.17;-2.068,-1.7247,7.1549;-1.1814,.1637,5.7339;-.212,-.2735,6.0351;-1.102,1.2544,5.9425;-1.3638,.0104,4.2118;-.5344,.528,3.6877;-2.2888,.5404,3.9112;-1.4641,-1.4363,3.717;-1.5946,-1.4262,2.6149;-2.3792,-1.8867,4.1419;-.2774,-2.3373,4.078;-.4617,-3.3414,3.6497;-.2452,-2.4692,5.1742;1.0722,-1.8242,3.5786;1.3524,-.8799,4.0777;1.8762,-2.554,3.7839;1.0577,-1.6344,2.4876;-.9988,-2.3166,7.363;-2.2591,-.4559,6.5753;-3.2978,-.1857,6.3563;-3.2479,-2.28,7.614;.8583,.6743,10.8486;1.0204,1.0255,11.8849;1.6168,1.1588,10.2057;1.0546,-.4131,10.8236;-.5562,.9787,10.3614;-1.2987,.4996,11.0231;-.7437,2.0688,10.4267;-.8217,.4888,8.9364;-.5897,-.5903,8.8673;-.1511,1.0006,8.2216;-2.281,.7248,8.5423;-3.1992,.3645,9.276;-2.4262,1.596,7.8493;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605576822098</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009584463548 0.002140567432 0.037891450791 0.008704140083</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.031288676 -0.008599162 0.000219022 0.000402827 0.000461881 0.000586000 0.001029184 0.001334432 0.001408879 0.001667493 0.002248016 0.002891296 0.003344763 0.004961823 0.005393224 0.005961385 0.006291650 0.008878831 0.009613510 0.010062512 0.011852933 0.014567719 0.019241331 0.021381213 0.024321027 0.026281035 0.027848926 0.028659503 0.029593161 0.031816996 0.032781773 0.038326608 0.040569099 0.041631687 0.041900148 0.046278146 0.048616820 0.049812251 0.050737736 0.051392509 0.052077065 0.055942133 0.056694368 0.057679117 0.060869615 0.065268178 0.068089089 0.073513241 0.074973187 0.076373003 0.076890353 0.078187828 0.078732144 0.081166715 0.082621538 0.084569625 0.087833928 0.102676280 0.107110903 0.108042359 0.111544182 0.112837798 0.114139775 0.115535570 0.125685246 0.132496996 0.138855510 0.144783401 0.145864518 0.153920057 0.159963418 0.161935907 0.170266532 0.171135976 0.175304945 0.177984126 0.179076023 0.197535694 0.202213175 0.207966997 0.212155023 0.222635320 0.224984007 0.249462089 0.258749805 0.296268892 0.311456028 0.351005454 0.366207711 0.415461706 0.449240220 0.484231143 0.527363525 0.544548923 0.603052374 0.609252850 0.648996607 0.684969679 0.733867127 0.741078739 0.753700088 0.764770951 0.766862042 0.775549564 0.783877889 0.786407162 0.795301461 0.811201030 0.814015720 0.818945065 0.848251472 0.855583567 0.858839691 0.863276886 0.878713484 0.881208693 0.891873898 0.894506674 0.917757379 0.919896089 0.921336517 0.935383855 0.963534675 0.978028002 1.436318975 1.527496487</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">33</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.81294678" y3="-4.04584437" z3="10.93028907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79367689" y3="-4.55027746" z3="10.95793029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.59659492" y3="-3.70245814" z3="11.94824671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.06004828" y3="-4.80647065" z3="10.66328608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.80688916" y3="-2.89210704" z3="9.93280374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.80559322" y3="-2.41781362" z3="9.91552882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.51704828" y3="-2.09617095" z3="10.22132544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12928866" y3="-3.34515533" z3="8.51421372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11471653" y3="-3.85617625" z3="8.50120967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.35827506" y3="-4.05681416" z3="8.16480865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06916939" y3="-1.72181309" z3="7.15215892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18215475" y3="0.16390206" z3="5.72881365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21318091" y3="-0.27301856" z3="6.03244924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10340025" y3="1.25474316" z3="5.93778775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36121773" y3="0.01082662" z3="4.2063823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.5299838" y3="0.52697795" z3="3.68375419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28486202" y3="0.54223254" z3="3.90421939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.4633754" y3="-1.43603256" z3="3.71236655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59158102" y3="-1.42631859" z3="2.61000193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.38015847" y3="-1.88417423" z3="4.13592694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27931024" y3="-2.33917877" z3="4.07658524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.4651388" y3="-3.34348405" z3="3.64943001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2490265" y3="-2.46957457" z3="5.17316607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07216022" y3="-1.82968333" z3="3.57839221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35350136" y3="-0.8850582" z3="4.07629244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87440591" y3="-2.56076515" z3="3.78598629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0595137" y3="-1.64158958" z3="2.48702848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99920956" y3="-2.31314757" z3="7.3620755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26147231" y3="-0.45798867" z3="6.56560299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30011266" y3="-0.18415832" z3="6.3509256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24774333" y3="-2.27638473" z3="7.61666367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84690828" y3="0.6619892" z3="10.85646806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00687239" y3="1.00591371" z3="11.89578052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60835518" y3="1.14901217" z3="10.21880974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.0401358" y3="-0.42580233" z3="10.82478544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56543906" y3="0.97287243" z3="10.36751381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31098801" y3="0.49080171" z3="11.02391991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75096854" y3="2.06290449" z3="10.43949394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82859951" y3="0.49313494" z3="8.93837858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59719457" y3="-0.5857735" z3="8.86143319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15707815" y3="1.00916064" z3="8.22746945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28652135" y3="0.7343438" z3="8.54505214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20704084" y3="0.37492848" z3="9.27424266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43020965" y3="1.59887719" z3="7.84337386">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8129,-4.0458,10.9303;-3.7937,-4.5503,10.9579;-2.5966,-3.7025,11.9482;-2.06,-4.8065,10.6633;-2.8069,-2.8921,9.9328;-1.8056,-2.4178,9.9155;-3.517,-2.0962,10.2213;-3.1293,-3.3452,8.5142;-4.1147,-3.8562,8.5012;-2.3583,-4.0568,8.1648;-2.0692,-1.7218,7.1522;-1.1822,.1639,5.7288;-.2132,-.273,6.0324;-1.1034,1.2547,5.9378;-1.3612,.0108,4.2064;-.53,.527,3.6838;-2.2849,.5422,3.9042;-1.4634,-1.436,3.7124;-1.5916,-1.4263,2.61;-2.3802,-1.8842,4.1359;-.2793,-2.3392,4.0766;-.4651,-3.3435,3.6494;-.249,-2.4696,5.1732;1.0722,-1.8297,3.5784;1.3535,-.8851,4.0763;1.8744,-2.5608,3.786;1.0595,-1.6416,2.487;-.9992,-2.3131,7.3621;-2.2615,-.458,6.5656;-3.3001,-.1842,6.3509;-3.2477,-2.2764,7.6167;.8469,.662,10.8565;1.0069,1.0059,11.8958;1.6084,1.149,10.2188;1.0401,-.4258,10.8248;-.5654,.9729,10.3675;-1.311,.4908,11.0239;-.751,2.0629,10.4395;-.8286,.4931,8.9384;-.5972,-.5858,8.8614;-.1571,1.0092,8.2275;-2.2865,.7343,8.5451;-3.207,.3749,9.2742;-2.4302,1.5989,7.8434;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605637284671</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010359871846 0.001941820011 0.041079865730 0.008703686083</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.031286948 -0.006666053 0.000218462 0.000402581 0.000466600 0.000585931 0.001028714 0.001335425 0.001409174 0.001670226 0.002253473 0.002892176 0.003348800 0.004979206 0.005593714 0.005961663 0.006331312 0.008889874 0.009666178 0.010195203 0.011853443 0.014570824 0.019247277 0.021384650 0.024345811 0.026286026 0.027909952 0.029042242 0.030990810 0.031867602 0.032782488 0.038329666 0.040619384 0.041631600 0.043766825 0.046284094 0.049181103 0.049827549 0.050737709 0.051419716 0.052137450 0.055942384 0.056707151 0.057679174 0.060885869 0.065270013 0.068245999 0.073524143 0.074988932 0.076482329 0.076960534 0.078192420 0.078946807 0.081694260 0.084321822 0.084704312 0.087832982 0.102676642 0.107111727 0.108060392 0.111571809 0.112864316 0.114142088 0.115526118 0.125862736 0.132496432 0.138856954 0.144817891 0.145944570 0.153945775 0.159984095 0.161933038 0.170711748 0.175021716 0.176569876 0.178071284 0.179612587 0.198093845 0.202813478 0.208119331 0.212243080 0.222658449 0.225375045 0.249488091 0.258685016 0.296273313 0.311600630 0.351295042 0.366248908 0.415612121 0.450737254 0.485572381 0.527395580 0.546150600 0.605738305 0.609266355 0.650608840 0.685973735 0.733886302 0.741078563 0.753781169 0.764847231 0.768321351 0.775551123 0.784006044 0.786408211 0.795303947 0.811334162 0.815298743 0.819056402 0.848260578 0.855584437 0.858841079 0.863563504 0.878720811 0.881367871 0.893106636 0.894506722 0.917758361 0.919895566 0.921591148 0.939966755 0.972329632 0.980695091 1.436325114 1.527500661</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">34</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80609952" y3="-4.04208569" z3="10.92996668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80793122" y3="-4.52229217" z3="10.9741007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55551506" y3="-3.69397865" z3="11.95302832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.0729726" y3="-4.82845058" z3="10.6567757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.78034063" y3="-2.88536749" z3="9.93310393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.78403674" y3="-2.42419271" z3="9.90842994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.47685773" y3="-2.08248418" z3="10.22162373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12947131" y3="-3.3414785" z3="8.51650391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11596466" y3="-3.84286929" z3="8.51446863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.36951701" y3="-4.06329045" z3="8.15829493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06891532" y3="-1.72038007" z3="7.15020794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18327094" y3="0.16392218" z3="5.72412031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21434021" y3="-0.27185566" z3="6.02937885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10615676" y3="1.25485459" z3="5.93345456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.35970901" y3="0.01089613" z3="4.20133322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.52758968" y3="0.52655675" z3="3.67973628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.2827218" y3="0.54256842" z3="3.89771741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46201582" y3="-1.43616376" z3="3.70811812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58830385" y3="-1.42736014" z3="2.60554327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37974233" y3="-1.88298698" z3="4.13075102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27943145" y3="-2.33989198" z3="4.07533035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46555866" y3="-3.34457051" z3="3.64927075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.25077677" y3="-2.46884117" z3="5.17215528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0730308" y3="-1.83226633" z3="3.5782604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35427774" y3="-0.88705291" z3="4.07503436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87449302" y3="-2.56344164" z3="3.78811008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06195425" y3="-1.64596453" z3="2.48657787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99859183" y3="-2.31139788" z3="7.36077576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26291525" y3="-0.46023345" z3="6.55817974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30166124" y3="-0.1855141" z3="6.34573102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24746207" y3="-2.27248936" z3="7.61929916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83689869" y3="0.6517255" z3="10.86215924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99495067" y3="0.99006892" z3="11.90319422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60013284" y3="1.1407653" z3="10.22874009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.02859902" y3="-0.43587964" z3="10.82515587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.5737637" y3="0.96743666" z3="10.37237957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32072757" y3="0.48279792" z3="11.0245726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75817867" y3="2.05715097" z3="10.45051905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83482697" y3="0.49671125" z3="8.94016743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60312197" y3="-0.58159973" z3="8.85612276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16323877" y3="1.01725239" z3="8.23288295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29171214" y3="0.74029686" z3="8.54693725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21356303" y3="0.3811959" z3="9.27369642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43569651" y3="1.5995671" z3="7.8404632">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8061,-4.0421,10.93;-3.8079,-4.5223,10.9741;-2.5555,-3.694,11.953;-2.073,-4.8285,10.6568;-2.7803,-2.8854,9.9331;-1.784,-2.4242,9.9084;-3.4769,-2.0825,10.2216;-3.1295,-3.3415,8.5165;-4.116,-3.8429,8.5145;-2.3695,-4.0633,8.1583;-2.0689,-1.7204,7.1502;-1.1833,.1639,5.7241;-.2143,-.2719,6.0294;-1.1062,1.2549,5.9335;-1.3597,.0109,4.2013;-.5276,.5266,3.6797;-2.2827,.5426,3.8977;-1.462,-1.4362,3.7081;-1.5883,-1.4274,2.6055;-2.3797,-1.883,4.1308;-.2794,-2.3399,4.0753;-.4656,-3.3446,3.6493;-.2508,-2.4688,5.1722;1.073,-1.8323,3.5783;1.3543,-.8871,4.075;1.8745,-2.5634,3.7881;1.062,-1.646,2.4866;-.9986,-2.3114,7.3608;-2.2629,-.4602,6.5582;-3.3017,-.1855,6.3457;-3.2475,-2.2725,7.6193;.8369,.6517,10.8622;.995,.9901,11.9032;1.6001,1.1408,10.2287;1.0286,-.4359,10.8252;-.5738,.9674,10.3724;-1.3207,.4828,11.0246;-.7582,2.0572,10.4505;-.8348,.4967,8.9402;-.6031,-.5816,8.8561;-.1632,1.0173,8.2329;-2.2917,.7403,8.5469;-3.2136,.3812,9.2737;-2.4357,1.5996,7.8405;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605721585789</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008724354713 0.001323218857 0.031388572730 0.008704414120</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.031313135 -0.003240284 0.000238829 0.000404297 0.000487257 0.000619452 0.001028643 0.001346765 0.001419365 0.001695013 0.002274405 0.002892065 0.003357020 0.004982839 0.005813102 0.005962436 0.006405049 0.008924551 0.009716417 0.010291760 0.011854658 0.014574129 0.019259532 0.021387319 0.024361508 0.026288350 0.027923464 0.029074763 0.031454836 0.031946437 0.032782333 0.038386080 0.040623108 0.041631491 0.044713376 0.046288027 0.049504065 0.049864624 0.050735967 0.051434836 0.052176466 0.055944493 0.056723863 0.057682746 0.060902135 0.065268461 0.068301539 0.073533855 0.074988754 0.076671450 0.077073221 0.078195940 0.079074720 0.081791211 0.084353285 0.086060251 0.087896954 0.102676599 0.107114445 0.108060390 0.111575791 0.112867816 0.114143709 0.115564164 0.126100373 0.132496720 0.138859020 0.144822846 0.145955783 0.153949976 0.160021902 0.161976624 0.170724107 0.175265961 0.177758002 0.179084701 0.179772056 0.198570748 0.203107801 0.208155572 0.212283457 0.222663003 0.225457307 0.249500638 0.259021524 0.296374144 0.311772059 0.351503337 0.366262132 0.415678232 0.451183888 0.486056138 0.527414009 0.546775187 0.607468773 0.609280137 0.652634680 0.688102563 0.733936225 0.741082132 0.753885087 0.764885724 0.769684038 0.775553751 0.784078205 0.786410249 0.795304197 0.811346864 0.815470497 0.819072210 0.848261049 0.855585000 0.858853415 0.863772045 0.878740596 0.881448579 0.893091169 0.894508159 0.917758307 0.919899119 0.921666576 0.940340692 0.975321992 0.986419551 1.436325126 1.527500086</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">35</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.792718" y3="-4.02947551" z3="10.93518011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78977476" y3="-4.49821223" z3="10.99054815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53177497" y3="-3.68328749" z3="11.95082855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.07369619" y3="-4.81746348" z3="10.65815778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.76360769" y3="-2.88316939" z3="9.92965335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.75467578" y3="-2.43773037" z3="9.89120411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.44546915" y3="-2.06704237" z3="10.22255426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12714222" y3="-3.33669304" z3="8.51876845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11798168" y3="-3.830004" z3="8.52861805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.37683171" y3="-4.06011853" z3="8.15791309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07085875" y3="-1.71830198" z3="7.14787267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18329682" y3="0.16452584" z3="5.7209631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21475194" y3="-0.27151205" z3="6.02709257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10581138" y3="1.25551638" z3="5.92986279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.35847113" y3="0.01113402" z3="4.19806027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.52507801" y3="0.52562775" z3="3.67716685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28053246" y3="0.54388318" z3="3.89321061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46211695" y3="-1.43594881" z3="3.70515168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58728027" y3="-1.42732228" z3="2.60246824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.38086053" y3="-1.88148068" z3="4.1269718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.28115475" y3="-2.34110439" z3="4.07386456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46851957" y3="-3.34584888" z3="3.64845929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.25341577" y3="-2.46917723" z3="5.17076232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07250091" y3="-1.83594426" z3="3.57746573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3545507" y3="-0.89041491" z3="4.07323016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.8726917" y3="-2.5680085" z3="3.78928905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06287264" y3="-1.65118499" z3="2.48551994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00042396" y3="-2.30966118" z3="7.35813762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26400932" y3="-0.45862572" z3="6.55469146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30244252" y3="-0.18316397" z3="6.34185307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24840184" y3="-2.26919935" z3="7.61989749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.82305437" y3="0.63622628" z3="10.87099664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.9766263" y3="0.96620819" z3="11.91592545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59058164" y3="1.12908461" z3="10.24489226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.01269632" y3="-0.45171518" z3="10.82651533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58486627" y3="0.95783383" z3="10.37665883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.33608219" y3="0.46865175" z3="11.02142896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76811276" y3="2.04729896" z3="10.46249492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83973843" y3="0.49830014" z3="8.93929059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60596868" y3="-0.5790295" z3="8.8480131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16561588" y3="1.02525038" z3="8.23854083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29568327" y3="0.74304412" z3="8.54174303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22015527" y3="0.38547286" z3="9.2662123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4366155" y3="1.60216927" z3="7.83424342">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7927,-4.0295,10.9352;-3.7898,-4.4982,10.9905;-2.5318,-3.6833,11.9508;-2.0737,-4.8175,10.6582;-2.7636,-2.8832,9.9297;-1.7547,-2.4377,9.8912;-3.4455,-2.067,10.2226;-3.1271,-3.3367,8.5188;-4.118,-3.83,8.5286;-2.3768,-4.0601,8.1579;-2.0709,-1.7183,7.1479;-1.1833,.1645,5.721;-.2148,-.2715,6.0271;-1.1058,1.2555,5.9299;-1.3585,.0111,4.1981;-.5251,.5256,3.6772;-2.2805,.5439,3.8932;-1.4621,-1.4359,3.7052;-1.5873,-1.4273,2.6025;-2.3809,-1.8815,4.127;-.2812,-2.3411,4.0739;-.4685,-3.3458,3.6485;-.2534,-2.4692,5.1708;1.0725,-1.8359,3.5775;1.3546,-.8904,4.0732;1.8727,-2.568,3.7893;1.0629,-1.6512,2.4855;-1.0004,-2.3097,7.3581;-2.264,-.4586,6.5547;-3.3024,-.1832,6.3419;-3.2484,-2.2692,7.6199;.8231,.6362,10.871;.9766,.9662,11.9159;1.5906,1.1291,10.2449;1.0127,-.4517,10.8265;-.5849,.9578,10.3767;-1.3361,.4687,11.0214;-.7681,2.0473,10.4625;-.8397,.4983,8.9393;-.606,-.579,8.848;-.1656,1.0253,8.2385;-2.2957,.743,8.5417;-3.2202,.3855,9.2662;-2.4366,1.6022,7.8342;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605754739889</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004157690403 0.000914021669 0.035545347282 0.008704875757</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.031050646 -0.002945762 0.000237795 0.000403888 0.000515571 0.000645069 0.001047225 0.001371463 0.001437472 0.001732019 0.002283971 0.002891780 0.003369935 0.004983573 0.005961584 0.006019766 0.006665845 0.009009464 0.009768314 0.010485939 0.011858147 0.014579920 0.019272383 0.021394676 0.024378473 0.026292390 0.027930755 0.029100232 0.031691601 0.032189861 0.032782852 0.038464784 0.040623687 0.041632047 0.045288072 0.046291937 0.049667542 0.049970040 0.050735220 0.051445582 0.052195203 0.055947048 0.056727376 0.057683827 0.060909398 0.065269266 0.068395146 0.073537764 0.074997268 0.076808690 0.077302695 0.078197386 0.079200206 0.081845911 0.084348343 0.087283189 0.088518898 0.102677014 0.107119690 0.108060278 0.111625252 0.112900388 0.114156687 0.115663537 0.126277255 0.132507133 0.138859260 0.144853472 0.146008437 0.154024087 0.160109587 0.162055261 0.170722978 0.175301822 0.177741667 0.179144954 0.180025138 0.198737114 0.203289423 0.208171551 0.212326913 0.222718357 0.225617426 0.249547675 0.259579167 0.296453402 0.311837961 0.351575173 0.366279799 0.415702103 0.451204963 0.486163815 0.527417506 0.546997476 0.608342576 0.609365581 0.654106937 0.689985261 0.733973121 0.741082829 0.753942489 0.764897851 0.770431278 0.775568741 0.784111538 0.786410626 0.795304238 0.811360787 0.815470820 0.819072188 0.848261950 0.855585743 0.858857512 0.863942917 0.878746846 0.881740512 0.893614384 0.894512486 0.917758900 0.919907046 0.921679592 0.941040323 0.975482215 0.986996111 1.436343424 1.527499618</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">36</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78103955" y3="-4.02153984" z3="10.93771206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8003136" y3="-4.46427984" z3="11.00914864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.4991652" y3="-3.67660959" z3="11.94860492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.08284548" y3="-4.83924158" z3="10.64965159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74292678" y3="-2.87702733" z3="9.92947055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.72658958" y3="-2.4500112" z3="9.88315342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.40992381" y3="-2.04627419" z3="10.22478218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12889952" y3="-3.32995671" z3="8.52385246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12814841" y3="-3.81120047" z3="8.54725296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39090751" y3="-4.0734786" z3="8.14774734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07194154" y3="-1.71754835" z3="7.14626131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18381421" y3="0.16446747" z3="5.71853967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2153253" y3="-0.27137087" z3="6.02531592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10666475" y3="1.2555135" z3="5.92718659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.35859165" y3="0.01035226" z3="4.19573375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.52576387" y3="0.52536595" z3="3.67476634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28106278" y3="0.54205727" z3="3.89079789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46086924" y3="-1.4370086" z3="3.70343947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5856344" y3="-1.4290143" z3="2.60070278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37939058" y3="-1.8830261" z3="4.12508578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27936313" y3="-2.34094375" z3="4.07316666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46556078" y3="-3.3459566" z3="3.64800449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.25230518" y3="-2.46855087" z3="5.17018352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0740612" y3="-1.83481466" z3="3.57747236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35476936" y3="-0.88865741" z3="4.07273811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87478952" y3="-2.56577505" z3="3.79049035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06510702" y3="-1.65093689" z3="2.48538557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00220007" y3="-2.3109344" z3="7.35474865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26470695" y3="-0.45838186" z3="6.55195319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30311128" y3="-0.18275228" z3="6.33924272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24906182" y3="-2.26484273" z3="7.62247379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.81235632" y3="0.62689721" z3="10.87556745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.96235455" y3="0.95302423" z3="11.92135045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58167106" y3="1.1213083" z3="10.25411846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.0022674" y3="-0.46039034" z3="10.82777831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.59366856" y3="0.95082956" z3="10.37832787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.3464943" y3="0.45921932" z3="11.01813452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.77778489" y3="2.03938291" z3="10.46856803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.84359947" y3="0.49825008" z3="8.93882805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60735262" y3="-0.57791015" z3="8.8428269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.1688967" y3="1.02937645" z3="8.24262719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29878225" y3="0.74330398" z3="8.53827585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22503604" y3="0.38627126" z3="9.26065899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43799643" y3="1.60220209" z3="7.83024576">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.781,-4.0215,10.9377;-3.8003,-4.4643,11.0091;-2.4992,-3.6766,11.9486;-2.0828,-4.8392,10.6497;-2.7429,-2.877,9.9295;-1.7266,-2.45,9.8832;-3.4099,-2.0463,10.2248;-3.1289,-3.33,8.5239;-4.1281,-3.8112,8.5473;-2.3909,-4.0735,8.1477;-2.0719,-1.7175,7.1463;-1.1838,.1645,5.7185;-.2153,-.2714,6.0253;-1.1067,1.2555,5.9272;-1.3586,.0104,4.1957;-.5258,.5254,3.6748;-2.2811,.5421,3.8908;-1.4609,-1.437,3.7034;-1.5856,-1.429,2.6007;-2.3794,-1.883,4.1251;-.2794,-2.3409,4.0732;-.4656,-3.346,3.648;-.2523,-2.4686,5.1702;1.0741,-1.8348,3.5775;1.3548,-.8887,4.0727;1.8748,-2.5658,3.7905;1.0651,-1.6509,2.4854;-1.0022,-2.3109,7.3547;-2.2647,-.4584,6.552;-3.3031,-.1828,6.3392;-3.2491,-2.2648,7.6225;.8124,.6269,10.8756;.9624,.953,11.9214;1.5817,1.1213,10.2541;1.0023,-.4604,10.8278;-.5937,.9508,10.3783;-1.3465,.4592,11.0181;-.7778,2.0394,10.4686;-.8436,.4983,8.9388;-.6074,-.5779,8.8428;-.1689,1.0294,8.2426;-2.2988,.7433,8.5383;-3.225,.3863,9.2607;-2.438,1.6022,7.8302;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605690497906</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010327528873 0.001689492518 0.039451594828 0.008703793362</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.030853014 -0.006291933 0.000246112 0.000404263 0.000547622 0.000684103 0.001165201 0.001385258 0.001506773 0.001736280 0.002327808 0.002892564 0.003380761 0.004990470 0.005960825 0.006082746 0.006904051 0.009078152 0.009829374 0.011259370 0.011863409 0.014595667 0.019312322 0.021408293 0.024415631 0.026298282 0.027935781 0.029141624 0.031778327 0.032757755 0.032854009 0.038605970 0.040623521 0.041634547 0.045743961 0.046301716 0.049742462 0.050218898 0.050736083 0.051461736 0.052226483 0.055948864 0.056739092 0.057687162 0.060916732 0.065274559 0.068894015 0.073546899 0.075003966 0.076841980 0.077528074 0.078204711 0.079321537 0.081883709 0.084572645 0.087503729 0.090958862 0.102679679 0.107122081 0.108073702 0.111777445 0.113048779 0.114192452 0.115860407 0.126253404 0.132517286 0.138859182 0.144867026 0.146036303 0.154039963 0.160146340 0.162099273 0.170723635 0.175299195 0.177821942 0.179199352 0.183346521 0.198900577 0.203356160 0.208169218 0.212338444 0.222734096 0.226536652 0.249559171 0.262126775 0.296850420 0.312081313 0.351797247 0.366322542 0.415752197 0.451207523 0.486201311 0.527418545 0.547089182 0.608828815 0.609579073 0.655698252 0.693051537 0.734038667 0.741085846 0.754058573 0.764917941 0.771621615 0.775591850 0.784152048 0.786410647 0.795304178 0.811407830 0.815603844 0.819104992 0.848264937 0.855586084 0.858863848 0.863936757 0.878746524 0.881733373 0.893596671 0.894512474 0.917760306 0.919906533 0.921731207 0.946098915 0.975486955 0.987466490 1.436365324 1.527505810</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">37</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.77409337" y3="-4.01421694" z3="10.93903475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78648984" y3="-4.44335028" z3="11.01570655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.47566546" y3="-3.66981574" z3="11.94722414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.09106053" y3="-4.8290165" z3="10.66082172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.71875467" y3="-2.86909878" z3="9.92839856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.70078862" y3="-2.45601295" z3="9.87386012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.37047221" y3="-2.03321945" z3="10.21964529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12573762" y3="-3.32483223" z3="8.52629263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12237292" y3="-3.79999135" z3="8.5622134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39783765" y3="-4.0577313" z3="8.15707096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07419442" y3="-1.71527023" z3="7.14290203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18411486" y3="0.16546851" z3="5.71576033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21636917" y3="-0.27160574" z3="6.02302419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10531275" y3="1.25654642" z3="5.92319847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.35877442" y3="0.00993936" z3="4.19304673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.52534699" y3="0.52400705" z3="3.67177658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.2808634" y3="0.54215323" z3="3.88724583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46164767" y3="-1.43772198" z3="3.70156137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58625046" y3="-1.43012029" z3="2.59879409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.38058501" y3="-1.88320253" z3="4.12313573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.28061491" y3="-2.34224336" z3="4.07184298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46715071" y3="-3.3473048" z3="3.64680899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.25416915" y3="-2.4696374" z3="5.16885882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07340181" y3="-1.83686907" z3="3.57663728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35422662" y3="-0.8905306" z3="4.07155665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87371176" y3="-2.56815336" z3="3.79066582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06530828" y3="-1.65357971" z3="2.48443704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00461899" y3="-2.30963176" z3="7.34732994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26586546" y3="-0.45409271" z3="6.55110443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30388942" y3="-0.1781711" z3="6.33683755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25004061" y3="-2.26048626" z3="7.62352202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.79804775" y3="0.61119153" z3="10.8838983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.94294138" y3="0.92984858" z3="11.9335124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.57194057" y3="1.10912783" z3="10.26984234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.98618298" y3="-0.47662008" z3="10.82976108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.60505072" y3="0.94025833" z3="10.38089674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.36215182" y3="0.44429814" z3="11.01322288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.78839838" y3="2.0287599" z3="10.47813396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.84759499" y3="0.49777351" z3="8.93625309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60925451" y3="-0.57753758" z3="8.83466389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16953328" y3="1.03493347" z3="8.24704603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30151346" y3="0.74290479" z3="8.52944521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.23015837" y3="0.38710097" z3="9.25047932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43738608" y3="1.60513979" z3="7.82490263">
                           <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 a8" 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 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7741,-4.0142,10.939;-3.7865,-4.4434,11.0157;-2.4757,-3.6698,11.9472;-2.0911,-4.829,10.6608;-2.7188,-2.8691,9.9284;-1.7008,-2.456,9.8739;-3.3705,-2.0332,10.2196;-3.1257,-3.3248,8.5263;-4.1224,-3.8,8.5622;-2.3978,-4.0577,8.1571;-2.0742,-1.7153,7.1429;-1.1841,.1655,5.7158;-.2164,-.2716,6.023;-1.1053,1.2565,5.9232;-1.3588,.0099,4.193;-.5253,.524,3.6718;-2.2809,.5422,3.8872;-1.4616,-1.4377,3.7016;-1.5863,-1.4301,2.5988;-2.3806,-1.8832,4.1231;-.2806,-2.3422,4.0718;-.4672,-3.3473,3.6468;-.2542,-2.4696,5.1689;1.0734,-1.8369,3.5766;1.3542,-.8905,4.0716;1.8737,-2.5682,3.7907;1.0653,-1.6536,2.4844;-1.0046,-2.3096,7.3473;-2.2659,-.4541,6.5511;-3.3039,-.1782,6.3368;-3.25,-2.2605,7.6235;.798,.6112,10.8839;.9429,.9298,11.9335;1.5719,1.1091,10.2698;.9862,-.4766,10.8298;-.6051,.9403,10.3809;-1.3622,.4443,11.0132;-.7884,2.0288,10.4781;-.8476,.4978,8.9363;-.6093,-.5775,8.8347;-.1695,1.0349,8.247;-2.3015,.7429,8.5294;-3.2302,.3871,9.2505;-2.4374,1.6051,7.8249;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605638146976</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.013157762586 0.002217309182 0.035196370430 0.008704053345</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.030748077 -0.009039154 0.000253109 0.000404514 0.000548836 0.000698418 0.001195681 0.001386803 0.001499720 0.001768231 0.002436780 0.002893319 0.003385254 0.004991423 0.005960920 0.006081435 0.006899155 0.009079149 0.009825697 0.011553244 0.011867687 0.014607487 0.019353266 0.021413067 0.024449256 0.026298986 0.027939948 0.029190096 0.031802133 0.032776701 0.033203398 0.038752302 0.040628243 0.041640404 0.045760734 0.046304184 0.049757151 0.050443219 0.050736850 0.051486300 0.052283423 0.055951085 0.056746326 0.057690025 0.060916201 0.065275332 0.069952526 0.073556520 0.075006482 0.076846553 0.077566856 0.078212800 0.079361116 0.081888439 0.085206789 0.087519850 0.094383069 0.102688452 0.107124318 0.108110320 0.111978845 0.113372249 0.114292242 0.116289615 0.126412183 0.132524783 0.138861717 0.144894318 0.146085442 0.154039512 0.160155753 0.162098354 0.170729705 0.175320868 0.177892714 0.179594192 0.192306995 0.199161937 0.203422738 0.208170486 0.212346827 0.222739827 0.228215967 0.249563657 0.264254871 0.297262178 0.312313694 0.352003071 0.366363780 0.415824485 0.451386189 0.486201780 0.527418505 0.547145538 0.609011085 0.610036855 0.657304611 0.697085507 0.734121807 0.741096859 0.754162300 0.764929771 0.772661423 0.775634756 0.784175422 0.786412040 0.795304403 0.811490692 0.816209282 0.819253254 0.848273339 0.855587799 0.858863633 0.864116834 0.878781127 0.881985532 0.893716089 0.894512372 0.917760343 0.919905641 0.921830227 0.956956680 0.975536078 0.993333492 1.436411369 1.527517017</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">38</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.76080439" y3="-3.99458363" z3="10.94861643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78511405" y3="-4.40815391" z3="11.04173276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.45257069" y3="-3.6544966" z3="11.95027945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.09285994" y3="-4.83502886" z3="10.6530184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7066051" y3="-2.86641352" z3="9.92662553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.68159077" y3="-2.46611851" z3="9.86033076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.34665618" y3="-2.01391115" z3="10.22358391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12090649" y3="-3.31673603" z3="8.53371668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12203749" y3="-3.78402339" z3="8.57754575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40089479" y3="-4.07570586" z3="8.14430063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0735253" y3="-1.71327642" z3="7.14061174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18480407" y3="0.16707784" z3="5.71297701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21710441" y3="-0.26978461" z3="6.02049065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10589495" y3="1.25827632" z3="5.91908623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.35970511" y3="0.00952604" z3="4.19050429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.52639458" y3="0.52343565" z3="3.668915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28189383" y3="0.54110717" z3="3.88397809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46173054" y3="-1.43852454" z3="3.69983689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58661513" y3="-1.43129526" z3="2.59709219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.38039851" y3="-1.88452672" z3="4.12151238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.28011119" y3="-2.34238349" z3="4.07001884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46606959" y3="-3.34750607" z3="3.64482495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.25383847" y3="-2.46979496" z3="5.16700229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07384702" y3="-1.83635232" z3="3.57529199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35407224" y3="-0.8898767" z3="4.07029602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87437326" y3="-2.56728007" z3="3.78982373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06632785" y3="-1.65312936" z3="2.48307607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0039448" y3="-2.30958943" z3="7.33905115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26586148" y3="-0.45047101" z3="6.55080667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30410898" y3="-0.17583007" z3="6.33610093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2466582" y3="-2.25563479" z3="7.62763632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.78516921" y3="0.59670464" z3="10.89131094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.92487675" y3="0.90772923" z3="11.9440625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.5627415" y3="1.09859014" z3="10.2850155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.97273379" y3="-0.49095445" z3="10.83054828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.61512554" y3="0.93002653" z3="10.38284385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.37561062" y3="0.43019976" z3="11.00794641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79853592" y3="2.01789154" z3="10.48633399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.85037573" y3="0.49660942" z3="8.93428794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60863562" y3="-0.57740707" z3="8.82745764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.17064899" y3="1.03934611" z3="8.25120074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30352103" y3="0.7405417" z3="8.52162683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.23454114" y3="0.38449989" z3="9.24037666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43680976" y3="1.60661415" z3="7.82067782">
                           <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 a8" 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 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7608,-3.9946,10.9486;-3.7851,-4.4082,11.0417;-2.4526,-3.6545,11.9503;-2.0929,-4.835,10.653;-2.7066,-2.8664,9.9266;-1.6816,-2.4661,9.8603;-3.3467,-2.0139,10.2236;-3.1209,-3.3167,8.5337;-4.122,-3.784,8.5775;-2.4009,-4.0757,8.1443;-2.0735,-1.7133,7.1406;-1.1848,.1671,5.713;-.2171,-.2698,6.0205;-1.1059,1.2583,5.9191;-1.3597,.0095,4.1905;-.5264,.5234,3.6689;-2.2819,.5411,3.884;-1.4617,-1.4385,3.6998;-1.5866,-1.4313,2.5971;-2.3804,-1.8845,4.1215;-.2801,-2.3424,4.07;-.4661,-3.3475,3.6448;-.2538,-2.4698,5.167;1.0738,-1.8364,3.5753;1.3541,-.8899,4.0703;1.8744,-2.5673,3.7898;1.0663,-1.6531,2.4831;-1.0039,-2.3096,7.3391;-2.2659,-.4505,6.5508;-3.3041,-.1758,6.3361;-3.2467,-2.2556,7.6276;.7852,.5967,10.8913;.9249,.9077,11.9441;1.5627,1.0986,10.285;.9727,-.491,10.8305;-.6151,.93,10.3828;-1.3756,.4302,11.0079;-.7985,2.0179,10.4863;-.8504,.4966,8.9343;-.6086,-.5774,8.8275;-.1706,1.0393,8.2512;-2.3035,.7405,8.5216;-3.2345,.3845,9.2404;-2.4368,1.6066,7.8207;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605620040367</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.016566438094 0.002351348892 0.033830686624 0.008703645449</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.030715115 -0.008850001 0.000265911 0.000409135 0.000553730 0.000691230 0.001223245 0.001387506 0.001497385 0.001775130 0.002433155 0.002893242 0.003383724 0.004992957 0.005961167 0.006127732 0.007022389 0.009132581 0.009848845 0.011649811 0.011867913 0.014607090 0.019351690 0.021412646 0.024448174 0.026309207 0.027939406 0.029232281 0.031803135 0.032776373 0.033171018 0.038742227 0.040644072 0.041640052 0.045877024 0.046305872 0.049757338 0.050469521 0.050734861 0.051493133 0.052306689 0.055951213 0.056744247 0.057689142 0.060916728 0.065276605 0.070059758 0.073560063 0.075007989 0.076848776 0.077581920 0.078218586 0.079358647 0.081888945 0.085663692 0.087527179 0.098376413 0.102713051 0.107125364 0.108147539 0.112115575 0.113696999 0.114489569 0.117513319 0.126665648 0.132525803 0.138867266 0.144919976 0.146148140 0.154066301 0.160286113 0.162188456 0.170731739 0.175397253 0.177907378 0.180156774 0.198093137 0.202116169 0.205089196 0.208626658 0.212381509 0.222741037 0.230418173 0.249585097 0.264262360 0.297273089 0.312348024 0.352059134 0.366361110 0.415896295 0.451764902 0.486202336 0.527419545 0.547241412 0.609117005 0.610643701 0.658566752 0.700156009 0.734163440 0.741108180 0.754200871 0.764931875 0.772761173 0.775632654 0.784174960 0.786412041 0.795304739 0.811512727 0.817173109 0.819706127 0.848286275 0.855592098 0.858878340 0.865433473 0.878888793 0.882434338 0.893986049 0.894512724 0.917760325 0.919913006 0.921884849 0.969163095 0.975544329 1.004993754 1.436433368 1.527542056</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">39</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.7527336" y3="-3.98624441" z3="10.95004657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78982636" y3="-4.37914745" z3="11.06396569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.41874" y3="-3.63474661" z3="11.94878259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.10211549" y3="-4.82492399" z3="10.66103024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.6875202" y3="-2.85723916" z3="9.92388077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.65023281" y3="-2.47534135" z3="9.8466267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.31364551" y3="-2.00390024" z3="10.2167864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12509008" y3="-3.3199476" z3="8.52982883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13873406" y3="-3.77560501" z3="8.59195495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.4162631" y3="-4.06836815" z3="8.15311242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07401091" y3="-1.71537966" z3="7.13813546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18567282" y3="0.16765089" z3="5.71177738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21704989" y3="-0.26730539" z3="6.01882925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10821276" y3="1.25912452" z3="5.9168644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36104066" y3="0.00900565" z3="4.18936956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.52872086" y3="0.52394108" z3="3.66741989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28390445" y3="0.53912592" z3="3.88275737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46101384" y3="-1.43907621" z3="3.69860001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58645854" y3="-1.43187473" z3="2.59590805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3788161" y3="-1.886587" z3="4.1204293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27796889" y3="-2.34118789" z3="4.0680539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46251998" y3="-3.34628506" z3="3.64230791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.25142226" y3="-2.4690607" z3="5.16493227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07525908" y3="-1.8331559" z3="3.57370878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35429317" y3="-0.88665803" z3="4.06928871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87657271" y3="-2.56316584" z3="3.78802605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06777519" y3="-1.64949799" z3="2.48159255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0045486" y3="-2.31137543" z3="7.33660022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26578582" y3="-0.44995763" z3="6.5516369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30405781" y3="-0.17604146" z3="6.33585018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24741233" y3="-2.25867926" z3="7.62236945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.77364143" y3="0.58346013" z3="10.89708517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.9084302" y3="0.8897166" z3="11.9509544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.55389116" y3="1.0870385" z3="10.29696332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.96166403" y3="-0.50336439" z3="10.83240785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.62392245" y3="0.91990166" z3="10.38408209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.38710018" y3="0.41808088" z3="11.00324523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.80796321" y3="2.00683513" z3="10.49173931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.85236435" y3="0.4933348" z3="8.93321402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60684973" y3="-0.57912975" z3="8.82267328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.17117776" y3="1.04065456" z3="8.25563674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30454876" y3="0.73665436" z3="8.51487918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.23794892" y3="0.38198089" z3="9.23205892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43449564" y3="1.60612803" z3="7.81696058">
                           <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 a8" 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 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7527,-3.9862,10.95;-3.7898,-4.3791,11.064;-2.4187,-3.6347,11.9488;-2.1021,-4.8249,10.661;-2.6875,-2.8572,9.9239;-1.6502,-2.4753,9.8466;-3.3136,-2.0039,10.2168;-3.1251,-3.3199,8.5298;-4.1387,-3.7756,8.592;-2.4163,-4.0684,8.1531;-2.074,-1.7154,7.1381;-1.1857,.1677,5.7118;-.217,-.2673,6.0188;-1.1082,1.2591,5.9169;-1.361,.009,4.1894;-.5287,.5239,3.6674;-2.2839,.5391,3.8828;-1.461,-1.4391,3.6986;-1.5865,-1.4319,2.5959;-2.3788,-1.8866,4.1204;-.278,-2.3412,4.0681;-.4625,-3.3463,3.6423;-.2514,-2.4691,5.1649;1.0753,-1.8332,3.5737;1.3543,-.8867,4.0693;1.8766,-2.5632,3.788;1.0678,-1.6495,2.4816;-1.0045,-2.3114,7.3366;-2.2658,-.45,6.5516;-3.3041,-.176,6.3359;-3.2474,-2.2587,7.6224;.7736,.5835,10.8971;.9084,.8897,11.951;1.5539,1.087,10.297;.9617,-.5034,10.8324;-.6239,.9199,10.3841;-1.3871,.4181,11.0032;-.808,2.0068,10.4917;-.8524,.4933,8.9332;-.6068,-.5791,8.8227;-.1712,1.0407,8.2556;-2.3045,.7367,8.5149;-3.2379,.382,9.2321;-2.4345,1.6061,7.817;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605523879419</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.016754112510 0.002866305456 0.033995707133 0.008704157709</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.030677212 -0.015659159 0.000261130 0.000413731 0.000570567 0.000686192 0.001272334 0.001389939 0.001496094 0.001865016 0.002650318 0.002898041 0.003389674 0.005000186 0.005962806 0.006162257 0.007032598 0.009134173 0.009845663 0.011866621 0.012208198 0.014608014 0.019361313 0.021418828 0.024460423 0.026331380 0.027959612 0.029275533 0.031804839 0.032781521 0.034369665 0.038827227 0.040662412 0.041639935 0.046276600 0.046965153 0.049770174 0.050673536 0.050772786 0.051517947 0.052337707 0.055951519 0.056744206 0.057690177 0.060917295 0.065275275 0.070614993 0.073560676 0.075084530 0.076926199 0.078217229 0.078264551 0.079510614 0.081892278 0.085609762 0.087575964 0.102617668 0.105931039 0.107145994 0.108272183 0.112215266 0.113842020 0.114708210 0.119024958 0.127785770 0.132529192 0.138881297 0.145026348 0.146698994 0.154080681 0.160566939 0.162460657 0.170737674 0.175566855 0.177912537 0.181614524 0.198471907 0.202621600 0.207262603 0.212012907 0.215557290 0.222751758 0.233375434 0.249603527 0.267624769 0.297793807 0.312592021 0.352110594 0.366407263 0.415943815 0.452970989 0.486209139 0.527419449 0.547319535 0.609151353 0.610991478 0.658935783 0.700392597 0.734164628 0.741107754 0.754204688 0.764935285 0.773510624 0.775702008 0.784302599 0.786412277 0.795305808 0.811524850 0.817794096 0.820445744 0.848288768 0.855591907 0.858952297 0.869291619 0.879127202 0.886404383 0.893976763 0.894512757 0.917760472 0.919918900 0.921901298 0.975365041 0.984205530 1.012139962 1.436462903 1.527572882</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">40</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.74631556" y3="-3.96657986" z3="10.96024569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.7622195" y3="-4.35146514" z3="11.06895001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.4063445" y3="-3.62165212" z3="11.94982827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.1085581" y3="-4.83353333" z3="10.66772071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.66811495" y3="-2.85030015" z3="9.92275981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.64233857" y3="-2.47857487" z3="9.84174039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.2799189" y3="-1.96990453" z3="10.21627007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12681751" y3="-3.30869633" z3="8.53936572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12614111" y3="-3.75990969" z3="8.60029213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42626817" y3="-4.07959095" z3="8.14650067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07580437" y3="-1.715754" z3="7.13644863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.186409" y3="0.16787154" z3="5.71050102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21711373" y3="-0.26598804" z3="6.01726763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10991082" y3="1.25946113" z3="5.91455806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36280259" y3="0.00794933" z3="4.18839895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.53131034" y3="0.52364614" z3="3.66582977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28637867" y3="0.53698707" z3="3.88201958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46123417" y3="-1.44022767" z3="3.69756053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58735604" y3="-1.4329358" z3="2.59493588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37833347" y3="-1.88907901" z3="4.11963406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27685944" y3="-2.34101537" z3="4.0660342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46040135" y3="-3.3461537" z3="3.63990815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.24985223" y3="-2.46920185" z3="5.16284866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0756602" y3="-1.83130699" z3="3.57144313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35389736" y3="-0.88473352" z3="4.06735015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87768498" y3="-2.56069597" z3="3.78534054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06779665" y3="-1.64729662" z3="2.47940191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0077304" y3="-2.31500217" z3="7.3307191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26573468" y3="-0.44775627" z3="6.55305047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30405491" y3="-0.1755128" z3="6.33534328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24982203" y3="-2.25429154" z3="7.62427376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.76068555" y3="0.56853943" z3="10.90389705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.88992072" y3="0.86883302" z3="11.96065002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.5451705" y3="1.07462498" z3="10.31068697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.9477572" y3="-0.51846377" z3="10.83443229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.63392802" y3="0.90882586" z3="10.38516181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.4010962" y3="0.40384523" z3="10.99748214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.81774302" y3="1.99555328" z3="10.49788189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.85462706" y3="0.48979457" z3="8.93062109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60577692" y3="-0.58150073" z3="8.81647899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.17054689" y3="1.04240524" z3="8.25958724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30570527" y3="0.73217619" z3="8.50540431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.24191823" y3="0.37997863" z3="9.22171148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43144819" y3="1.60601846" z3="7.81183664">
                           <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 a8" 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 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7463,-3.9666,10.9602;-3.7622,-4.3515,11.069;-2.4063,-3.6217,11.9498;-2.1086,-4.8335,10.6677;-2.6681,-2.8503,9.9228;-1.6423,-2.4786,9.8417;-3.2799,-1.9699,10.2163;-3.1268,-3.3087,8.5394;-4.1261,-3.7599,8.6003;-2.4263,-4.0796,8.1465;-2.0758,-1.7158,7.1364;-1.1864,.1679,5.7105;-.2171,-.266,6.0173;-1.1099,1.2595,5.9146;-1.3628,.0079,4.1884;-.5313,.5236,3.6658;-2.2864,.537,3.882;-1.4612,-1.4402,3.6976;-1.5874,-1.4329,2.5949;-2.3783,-1.8891,4.1196;-.2769,-2.341,4.066;-.4604,-3.3462,3.6399;-.2499,-2.4692,5.1628;1.0757,-1.8313,3.5714;1.3539,-.8847,4.0674;1.8777,-2.5607,3.7853;1.0678,-1.6473,2.4794;-1.0077,-2.315,7.3307;-2.2657,-.4478,6.5531;-3.3041,-.1755,6.3353;-3.2498,-2.2543,7.6243;.7607,.5685,10.9039;.8899,.8688,11.9607;1.5452,1.0746,10.3107;.9478,-.5185,10.8344;-.6339,.9088,10.3852;-1.4011,.4038,10.9975;-.8177,1.9956,10.4979;-.8546,.4898,8.9306;-.6058,-.5815,8.8165;-.1705,1.0424,8.2596;-2.3057,.7322,8.5054;-3.2419,.38,9.2217;-2.4314,1.606,7.8118;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605341850835</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.034066146868 0.004025730110 0.033975479290 0.008703890432</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.031016307 -0.019645835 0.000264159 0.000413855 0.000574469 0.000712352 0.001301012 0.001399638 0.001568799 0.001884422 0.002642621 0.002899771 0.003397683 0.005000127 0.005963100 0.006160820 0.007098749 0.009249292 0.009915246 0.011871496 0.012208709 0.014608380 0.019360384 0.021416884 0.024460282 0.026333895 0.027958527 0.029273538 0.031806933 0.032782822 0.034996782 0.038867611 0.040660160 0.041639888 0.046276126 0.047114865 0.049778636 0.050727652 0.051215496 0.051765035 0.052697058 0.055953032 0.056773646 0.057690136 0.060982095 0.065283455 0.071267009 0.073568101 0.075197643 0.076975689 0.078218377 0.078989020 0.081051800 0.081896584 0.085598106 0.087598598 0.102655689 0.107114852 0.108036221 0.111730421 0.112913162 0.114103385 0.115935093 0.119900218 0.132518375 0.136349755 0.139075062 0.145164518 0.150069232 0.154142105 0.161049014 0.163874365 0.170770728 0.175809366 0.177916964 0.186482070 0.198742809 0.202627920 0.207348113 0.212071546 0.220026356 0.222752107 0.233872595 0.249596335 0.275920194 0.299422887 0.313474970 0.352266653 0.366427176 0.415979099 0.453984796 0.486209289 0.527419539 0.547354596 0.609150696 0.611018225 0.658930868 0.701150764 0.734220682 0.741109245 0.754247069 0.764943945 0.774696098 0.775868027 0.784402028 0.786412278 0.795305857 0.811523837 0.817779610 0.820419719 0.848289786 0.855592031 0.859031006 0.873388517 0.879281996 0.893685084 0.894512066 0.898801358 0.917760621 0.919955392 0.921901873 0.975372653 1.007528029 1.035181613 1.436542131 1.527671655</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">41</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.72851999" y3="-3.95581194" z3="10.96065171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78288695" y3="-4.31748966" z3="11.09222097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.38134223" y3="-3.60963654" z3="11.94672561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.10795913" y3="-4.81854623" z3="10.67784538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.66013091" y3="-2.84034318" z3="9.92259138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.61422022" y3="-2.48448759" z3="9.82963362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.25932846" y3="-1.96892666" z3="10.20387487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11577887" y3="-3.30261062" z3="8.54565292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12642634" y3="-3.74722604" z3="8.62046986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42540737" y3="-4.07527156" z3="8.15523865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07595482" y3="-1.71508198" z3="7.13235452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18804088" y3="0.16789085" z3="5.70652499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2187691" y3="-0.26575559" z3="6.01418694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11241912" y3="1.25946203" z3="5.91072266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36393305" y3="0.00738174" z3="4.18451795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.53288545" y3="0.52381805" z3="3.66182423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28820612" y3="0.53540107" z3="3.87819867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46086904" y3="-1.441205" z3="3.69429313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58706274" y3="-1.43434286" z3="2.59165606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37754504" y3="-1.89092144" z3="4.11659975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27543248" y3="-2.34069171" z3="4.06307592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45758195" y3="-3.34610739" z3="3.63692481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.24877352" y3="-2.46889611" z3="5.15994954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07658671" y3="-1.829149" z3="3.56872766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35364959" y3="-0.88239884" z3="4.06499599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87953464" y3="-2.55768796" z3="3.78234257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06853792" y3="-1.64458355" z3="2.47674952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00738395" y3="-2.31475095" z3="7.32271489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26738925" y3="-0.44778779" z3="6.54854561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30599234" y3="-0.17638047" z3="6.33122484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24635856" y3="-2.25172526" z3="7.62747221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.7496105" y3="0.55186258" z3="10.91139139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.87446585" y3="0.84437898" z3="11.97142768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.53776092" y3="1.06151876" z3="10.32537219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.93480858" y3="-0.53545904" z3="10.83510232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64237113" y3="0.89747842" z3="10.38851503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.41257517" y3="0.38907625" z3="10.99452525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.82516074" y3="1.98398917" z3="10.50782028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.85837441" y3="0.48802303" z3="8.93007744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60868745" y3="-0.58276504" z3="8.80977527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.17284016" y3="1.04496931" z3="8.2642724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30832385" y3="0.73261988" z3="8.5017912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.24615725" y3="0.38204292" z3="9.21653207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43222844" y3="1.60551428" z3="7.80726287">
                           <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 a8" 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 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7285,-3.9558,10.9607;-3.7829,-4.3175,11.0922;-2.3813,-3.6096,11.9467;-2.108,-4.8185,10.6778;-2.6601,-2.8403,9.9226;-1.6142,-2.4845,9.8296;-3.2593,-1.9689,10.2039;-3.1158,-3.3026,8.5457;-4.1264,-3.7472,8.6205;-2.4254,-4.0753,8.1552;-2.076,-1.7151,7.1324;-1.188,.1679,5.7065;-.2188,-.2658,6.0142;-1.1124,1.2595,5.9107;-1.3639,.0074,4.1845;-.5329,.5238,3.6618;-2.2882,.5354,3.8782;-1.4609,-1.4412,3.6943;-1.5871,-1.4343,2.5917;-2.3775,-1.8909,4.1166;-.2754,-2.3407,4.0631;-.4576,-3.3461,3.6369;-.2488,-2.4689,5.1599;1.0766,-1.8291,3.5687;1.3536,-.8824,4.065;1.8795,-2.5577,3.7823;1.0685,-1.6446,2.4767;-1.0074,-2.3148,7.3227;-2.2674,-.4478,6.5485;-3.306,-.1764,6.3312;-3.2464,-2.2517,7.6275;.7496,.5519,10.9114;.8745,.8444,11.9714;1.5378,1.0615,10.3254;.9348,-.5355,10.8351;-.6424,.8975,10.3885;-1.4126,.3891,10.9945;-.8252,1.984,10.5078;-.8584,.488,8.9301;-.6087,-.5828,8.8098;-.1728,1.045,8.2643;-2.3083,.7326,8.5018;-3.2462,.382,9.2165;-2.4322,1.6055,7.8073;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605419145395</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.029719047174 0.003614348324 0.028834707391 0.008703642136</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.031479103 -0.014493146 0.000274930 0.000414422 0.000579809 0.000712000 0.001327946 0.001400980 0.001577354 0.001895956 0.002741870 0.002904108 0.003397023 0.005003275 0.005963259 0.006172875 0.007177307 0.009289249 0.009974083 0.011875303 0.012560544 0.014610877 0.019390490 0.021419118 0.024474812 0.026376495 0.028007539 0.029331326 0.031806733 0.032785485 0.034984357 0.038976577 0.040670290 0.041639807 0.046277363 0.047261976 0.049778558 0.050726734 0.051206853 0.051766797 0.052648999 0.055964743 0.056880840 0.057709817 0.061065952 0.065294804 0.071386740 0.073576100 0.075210620 0.076983208 0.078218431 0.079024376 0.081460092 0.081987454 0.085872051 0.087601125 0.102655368 0.107116572 0.108032676 0.111757086 0.112906932 0.114105412 0.116214000 0.120208427 0.132528569 0.138713920 0.142461058 0.145258043 0.153088899 0.155082919 0.161280716 0.167986076 0.170876676 0.175977844 0.177921143 0.194540485 0.200385812 0.203199818 0.208004148 0.212100142 0.222270211 0.223711643 0.236450887 0.249686508 0.279907186 0.299840878 0.313572367 0.352245333 0.366447054 0.415996998 0.453933168 0.486235304 0.527420134 0.547353511 0.609168348 0.611138083 0.659476873 0.703998053 0.734292453 0.741115439 0.754289838 0.764949109 0.774858312 0.775873284 0.784400364 0.786413076 0.795309790 0.811534611 0.818266250 0.822650029 0.848295154 0.855594281 0.859084500 0.877627786 0.879731779 0.893672162 0.894518372 0.910928051 0.917763991 0.920011291 0.921974644 0.975558061 1.013444058 1.073123792 1.436555347 1.527707142</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">42</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.73362152" y3="-3.93566417" z3="10.97252502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.76509794" y3="-4.29001273" z3="11.10914525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.35879519" y3="-3.58368269" z3="11.95714111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.12302813" y3="-4.82124278" z3="10.67625403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.6402781" y3="-2.83615572" z3="9.91767122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.60285629" y3="-2.48903652" z3="9.81671472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.23049375" y3="-1.94170947" z3="10.20507603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11482507" y3="-3.30698967" z3="8.54404749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14008941" y3="-3.74092399" z3="8.63846089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43103298" y3="-4.07612229" z3="8.16106404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07422941" y3="-1.7170107" z3="7.12948119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18911744" y3="0.16878579" z3="5.70592108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21953506" y3="-0.26447323" z3="6.01251661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11312991" y3="1.26058518" z3="5.90863417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36653641" y3="0.00667794" z3="4.18424829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.53708983" y3="0.52467597" z3="3.66067086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.29199521" y3="0.53275056" z3="3.87831309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46043632" y3="-1.44202574" z3="3.69368173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58766893" y3="-1.43483559" z3="2.59118924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37573999" y3="-1.89427101" z3="4.11615849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27259338" y3="-2.33902613" z3="4.06054642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45289148" y3="-3.34448345" z3="3.63373215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.24477922" y3="-2.4680492" z3="5.15719423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07789544" y3="-1.82416464" z3="3.56563506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35338005" y3="-0.87728393" z3="4.06250178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88255278" y3="-2.55110098" z3="3.778041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06874317" y3="-1.63874293" z3="2.47382977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00494742" y3="-2.31556248" z3="7.31482124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26708109" y3="-0.44529738" z3="6.55223879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30586031" y3="-0.17593375" z3="6.33246483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24270338" y3="-2.2562933" z3="7.62419728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.73798781" y3="0.53692728" z3="10.91712095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.85784133" y3="0.82374873" z3="11.97871371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.52945799" y3="1.0486639" z3="10.33821642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.92316351" y3="-0.54961225" z3="10.83630251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.65105523" y3="0.88638682" z3="10.38861714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.4242071" y3="0.37606561" z3="10.98842905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83394889" y3="1.97195978" z3="10.51224843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.85947607" y3="0.48385161" z3="8.92750456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60657463" y3="-0.58530035" z3="8.80426939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.17136253" y3="1.04469674" z3="8.2676222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30856071" y3="0.72638909" z3="8.49127103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.24903568" y3="0.37708246" z3="9.20518691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42870979" y3="1.60514692" z3="7.80275344">
                           <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 a8" 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 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7336,-3.9357,10.9725;-3.7651,-4.29,11.1091;-2.3588,-3.5837,11.9571;-2.123,-4.8212,10.6763;-2.6403,-2.8362,9.9177;-1.6029,-2.489,9.8167;-3.2305,-1.9417,10.2051;-3.1148,-3.307,8.544;-4.1401,-3.7409,8.6385;-2.431,-4.0761,8.1611;-2.0742,-1.717,7.1295;-1.1891,.1688,5.7059;-.2195,-.2645,6.0125;-1.1131,1.2606,5.9086;-1.3665,.0067,4.1842;-.5371,.5247,3.6607;-2.292,.5328,3.8783;-1.4604,-1.442,3.6937;-1.5877,-1.4348,2.5912;-2.3757,-1.8943,4.1162;-.2726,-2.339,4.0605;-.4529,-3.3445,3.6337;-.2448,-2.468,5.1572;1.0779,-1.8242,3.5656;1.3534,-.8773,4.0625;1.8826,-2.5511,3.778;1.0687,-1.6387,2.4738;-1.0049,-2.3156,7.3148;-2.2671,-.4453,6.5522;-3.3059,-.1759,6.3325;-3.2427,-2.2563,7.6242;.738,.5369,10.9171;.8578,.8237,11.9787;1.5295,1.0487,10.3382;.9232,-.5496,10.8363;-.6511,.8864,10.3886;-1.4242,.3761,10.9884;-.8339,1.972,10.5122;-.8595,.4839,8.9275;-.6066,-.5853,8.8043;-.1714,1.0447,8.2676;-2.3086,.7264,8.4913;-3.249,.3771,9.2052;-2.4287,1.6051,7.8028;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605390964664</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.024744198914 0.003513161959 0.029833518872 0.008703744777</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.031936618 -0.018909449 0.000287481 0.000416767 0.000579856 0.000710275 0.001331836 0.001400964 0.001582488 0.001889412 0.002753478 0.002903062 0.003396634 0.005004813 0.005964125 0.006171872 0.007196153 0.009378566 0.010112770 0.011900017 0.012555382 0.014625130 0.019397319 0.021416213 0.024476000 0.026378959 0.028066998 0.029365912 0.031807081 0.032790665 0.035676790 0.039263421 0.040678034 0.041639743 0.046278140 0.047870532 0.049790615 0.050725249 0.051310746 0.051905042 0.053816605 0.055986648 0.056991265 0.057757846 0.061101577 0.065291576 0.072931845 0.073581824 0.075214311 0.076982860 0.078220543 0.079022590 0.081509484 0.081976597 0.086093730 0.087624105 0.102657040 0.107119016 0.108214163 0.111911303 0.113292608 0.114182149 0.116409152 0.123473803 0.132552261 0.138776274 0.144408133 0.145491256 0.153455629 0.156430918 0.161327288 0.170493835 0.171906121 0.176104968 0.177928545 0.195431238 0.200668792 0.204597361 0.210210195 0.212566556 0.222322078 0.225663804 0.249378390 0.254475863 0.281058084 0.299968741 0.314157516 0.352904093 0.366531352 0.416006628 0.456920370 0.486700785 0.527421207 0.547371561 0.609172501 0.611221790 0.659793783 0.705240349 0.734304223 0.741115005 0.754292177 0.764949131 0.774990809 0.775978614 0.784547329 0.786412970 0.795315687 0.811579642 0.818503145 0.828780634 0.848303824 0.855597313 0.859114193 0.879022281 0.890297499 0.893699127 0.894679946 0.917752381 0.919932123 0.921440855 0.932951259 0.975834745 1.014392863 1.080405718 1.436611125 1.527736385</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">43</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.71846424" y3="-3.92125381" z3="10.9797695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.76518699" y3="-4.26017922" z3="11.13094755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.34408198" y3="-3.56437251" z3="11.95404334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.12288077" y3="-4.79711545" z3="10.69644789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.62940921" y3="-2.82497854" z3="9.92280101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.57704599" y3="-2.49545498" z3="9.80989187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.20541921" y3="-1.93064775" z3="10.20319999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12642659" y3="-3.29821018" z3="8.55288463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12273757" y3="-3.73205116" z3="8.63795543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.44805938" y3="-4.09245155" z3="8.15266597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07651803" y3="-1.7192935" z3="7.12730538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19080139" y3="0.16763491" z3="5.70261051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22067115" y3="-0.2644144" z3="6.00900431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11581446" y3="1.25946858" z3="5.90570923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36792419" y3="0.0060223" z3="4.18081176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.53949478" y3="0.5256909" z3="3.65723346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.29438309" y3="0.53040699" z3="3.87496057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45915943" y3="-1.44274724" z3="3.69018606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5866948" y3="-1.43589434" z3="2.58772436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37339388" y3="-1.89670373" z3="4.1130982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26941441" y3="-2.33729241" z3="4.0568578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.44755311" y3="-3.34294786" z3="3.62965636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2414608" y3="-2.46660436" z3="5.15350207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07995973" y3="-1.81932152" z3="3.56213835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3535832" y3="-0.87228641" z3="4.05971657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88618734" y3="-2.54476005" z3="3.77381849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07018222" y3="-1.6330663" z3="2.47046812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00781921" y3="-2.31968336" z3="7.31247741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26828091" y3="-0.44803222" z3="6.54817658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30715701" y3="-0.17797072" z3="6.33012859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24763423" y3="-2.25509886" z3="7.62346305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.72785105" y3="0.51999672" z3="10.92282984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.84381687" y3="0.80095085" z3="11.9861289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.52216671" y3="1.03324082" z3="10.34988198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.91193" y3="-0.56626873" z3="10.83704768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.65841812" y3="0.87473988" z3="10.39154491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.43432721" y3="0.36269911" z3="10.9860327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84034758" y3="1.95984149" z3="10.52040269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.86288152" y3="0.4804877" z3="8.92794935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60867404" y3="-0.58781411" z3="8.79935241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.17346521" y3="1.04534593" z3="8.27292542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.31060453" y3="0.72627265" z3="8.4892298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.2537648" y3="0.37953873" z3="9.20069035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4276691" y3="1.60396503" z3="7.79870241">
                           <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 a8" 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 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7185,-3.9213,10.9798;-3.7652,-4.2602,11.1309;-2.3441,-3.5644,11.954;-2.1229,-4.7971,10.6964;-2.6294,-2.825,9.9228;-1.577,-2.4955,9.8099;-3.2054,-1.9306,10.2032;-3.1264,-3.2982,8.5529;-4.1227,-3.7321,8.638;-2.4481,-4.0925,8.1527;-2.0765,-1.7193,7.1273;-1.1908,.1676,5.7026;-.2207,-.2644,6.009;-1.1158,1.2595,5.9057;-1.3679,.006,4.1808;-.5395,.5257,3.6572;-2.2944,.5304,3.875;-1.4592,-1.4427,3.6902;-1.5867,-1.4359,2.5877;-2.3734,-1.8967,4.1131;-.2694,-2.3373,4.0569;-.4476,-3.3429,3.6297;-.2415,-2.4666,5.1535;1.08,-1.8193,3.5621;1.3536,-.8723,4.0597;1.8862,-2.5448,3.7738;1.0702,-1.6331,2.4705;-1.0078,-2.3197,7.3125;-2.2683,-.448,6.5482;-3.3072,-.178,6.3301;-3.2476,-2.2551,7.6235;.7279,.52,10.9228;.8438,.801,11.9861;1.5222,1.0332,10.3499;.9119,-.5663,10.837;-.6584,.8747,10.3915;-1.4343,.3627,10.986;-.8403,1.9598,10.5204;-.8629,.4805,8.9279;-.6087,-.5878,8.7994;-.1735,1.0453,8.2729;-2.3106,.7263,8.4892;-3.2538,.3795,9.2007;-2.4277,1.604,7.7987;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605275699101</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.035295671329 0.004072762170 0.034143184146 0.008703631523</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.032763333 -0.017865192 0.000283377 0.000416855 0.000587570 0.000706543 0.001347863 0.001414014 0.001615495 0.001896200 0.002885670 0.002911951 0.003399846 0.005004683 0.005963826 0.006178608 0.007228493 0.009386722 0.010123305 0.011898327 0.013134784 0.014650828 0.019405181 0.021413330 0.024481821 0.026381976 0.028064504 0.029366068 0.031807170 0.032790466 0.035765695 0.039253469 0.040677494 0.041639662 0.046279445 0.048024059 0.049792573 0.050722033 0.051356387 0.052033439 0.054824509 0.055990725 0.056977270 0.057758888 0.061097757 0.065291720 0.073578645 0.075198649 0.076460660 0.076983138 0.078221318 0.079047511 0.081775876 0.083014548 0.086649939 0.087629764 0.102659849 0.107122270 0.108333165 0.112058839 0.113739133 0.114484739 0.117497098 0.129494606 0.132623762 0.138794105 0.144491237 0.145508047 0.154003484 0.158028099 0.161346051 0.170683711 0.173410204 0.176190019 0.177948219 0.195786493 0.201160789 0.204654995 0.210737780 0.213438725 0.222319792 0.226664742 0.249603552 0.270795742 0.284185593 0.301151229 0.316483798 0.354362487 0.366609588 0.416014379 0.461778287 0.487614116 0.527423647 0.547411143 0.609171817 0.611233867 0.659835433 0.705271228 0.734306526 0.741115711 0.754295113 0.764949744 0.775289629 0.776259955 0.784679650 0.786412834 0.795316870 0.811608729 0.818534328 0.831469335 0.848306885 0.855601760 0.859119567 0.879064855 0.893508927 0.894464647 0.903385230 0.917755418 0.920020297 0.921578261 0.973487052 0.988221689 1.014367251 1.080440568 1.436717378 1.527932553</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">44</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.70962649" y3="-3.89999879" z3="10.98780174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.75805816" y3="-4.22603603" z3="11.14754275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.32879659" y3="-3.54298101" z3="11.95645203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.12440529" y3="-4.80304169" z3="10.70650125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.61508399" y3="-2.82061983" z3="9.91493452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.57527926" y3="-2.49643791" z3="9.80383225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.18633485" y3="-1.92076294" z3="10.1908956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10962213" y3="-3.29677667" z3="8.55362396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13850322" y3="-3.71877235" z3="8.65949935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.44313255" y3="-4.08369955" z3="8.16681095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07686638" y3="-1.71980591" z3="7.12560108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19142284" y3="0.16791274" z3="5.70297661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22073606" y3="-0.26410372" z3="6.00784732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11605029" y3="1.25969792" z3="5.90455237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37141645" y3="0.00465718" z3="4.18180684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.54491393" y3="0.52621995" z3="3.65712833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.2993458" y3="0.52697501" z3="3.87711038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45944258" y3="-1.44401274" z3="3.69020395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58869743" y3="-1.43638086" z3="2.58795757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37191887" y3="-1.90116745" z3="4.11359451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26662325" y3="-2.33565559" z3="4.05383562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.44277382" y3="-3.34129386" z3="3.62577217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.23683865" y3="-2.46598046" z3="5.15024292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0807718" y3="-1.81377764" z3="3.55776768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35286699" y3="-0.86653987" z3="4.05583252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88892369" y3="-2.5375763" z3="3.76782134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0692943" y3="-1.62663128" z3="2.46628256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00865711" y3="-2.32169505" z3="7.30507315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26756511" y3="-0.44329403" z3="6.55439942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3065232" y3="-0.17604507" z3="6.33313244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24381789" y3="-2.25457475" z3="7.62489087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.71504015" y3="0.50338557" z3="10.92833773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.82522343" y3="0.77796759" z3="11.99465635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.51431369" y3="1.01872208" z3="10.36277649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.89760668" y3="-0.58311815" z3="10.83755442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.66800184" y3="0.86256017" z3="10.39040883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.4488295" y3="0.34821095" z3="10.9777322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.84909023" y3="1.94742457" z3="10.52372222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.86317483" y3="0.47497243" z3="8.92338186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60539672" y3="-0.59206461" z3="8.79283513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.1694081" y3="1.04417781" z3="8.27572344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30974876" y3="0.71878847" z3="8.47457072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.25570962" y3="0.37595663" z3="9.18657653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42059071" y3="1.60460236" z3="7.7923729">
                           <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 a8" 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 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7096,-3.9,10.9878;-3.7581,-4.226,11.1475;-2.3288,-3.543,11.9565;-2.1244,-4.803,10.7065;-2.6151,-2.8206,9.9149;-1.5753,-2.4964,9.8038;-3.1863,-1.9208,10.1909;-3.1096,-3.2968,8.5536;-4.1385,-3.7188,8.6595;-2.4431,-4.0837,8.1668;-2.0769,-1.7198,7.1256;-1.1914,.1679,5.703;-.2207,-.2641,6.0078;-1.1161,1.2597,5.9046;-1.3714,.0047,4.1818;-.5449,.5262,3.6571;-2.2993,.527,3.8771;-1.4594,-1.444,3.6902;-1.5887,-1.4364,2.588;-2.3719,-1.9012,4.1136;-.2666,-2.3357,4.0538;-.4428,-3.3413,3.6258;-.2368,-2.466,5.1502;1.0808,-1.8138,3.5578;1.3529,-.8665,4.0558;1.8889,-2.5376,3.7678;1.0693,-1.6266,2.4663;-1.0087,-2.3217,7.3051;-2.2676,-.4433,6.5544;-3.3065,-.176,6.3331;-3.2438,-2.2546,7.6249;.715,.5034,10.9283;.8252,.778,11.9947;1.5143,1.0187,10.3628;.8976,-.5831,10.8376;-.668,.8626,10.3904;-1.4488,.3482,10.9777;-.8491,1.9474,10.5237;-.8632,.475,8.9234;-.6054,-.5921,8.7928;-.1694,1.0442,8.2757;-2.3097,.7188,8.4746;-3.2557,.376,9.1866;-2.4206,1.6046,7.7924;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605473362546</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.019367933404 0.002719786865 0.032524032136 0.008703747165</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.033860366 -0.008745170 0.000272652 0.000417266 0.000587426 0.000703956 0.001347912 0.001412921 0.001609537 0.001896392 0.002900249 0.002946255 0.003405002 0.005021086 0.005963673 0.006210614 0.007507884 0.009416514 0.010190754 0.011906962 0.013520037 0.014659366 0.019417478 0.021411339 0.024484762 0.026384328 0.028078894 0.029365978 0.031807756 0.032790427 0.035832648 0.039295258 0.040677664 0.041640321 0.046283468 0.048101071 0.049792618 0.050719297 0.051370395 0.052103364 0.054847714 0.055994044 0.057000692 0.057761794 0.061102882 0.065290335 0.073578710 0.075200484 0.076820234 0.076984852 0.078221181 0.079061096 0.081783833 0.083478736 0.087358704 0.087719578 0.102661377 0.107123382 0.108361019 0.112121711 0.113859979 0.114726189 0.119765300 0.131117735 0.132623423 0.138792203 0.144870527 0.145983368 0.154888625 0.160885939 0.161594926 0.170727677 0.173856027 0.176241804 0.177968437 0.196813442 0.203452274 0.204911415 0.210755229 0.213663960 0.222321263 0.227069849 0.249693906 0.273987875 0.288795015 0.302048434 0.318272140 0.355401473 0.366661871 0.416041971 0.463352765 0.488085245 0.527424306 0.547438255 0.609172002 0.611235718 0.659848727 0.705616396 0.734336049 0.741129624 0.754315913 0.764952822 0.775442432 0.776716955 0.784766387 0.786412832 0.795316864 0.811631888 0.818537625 0.831839338 0.848307469 0.855606685 0.859119979 0.879070786 0.893621119 0.894600474 0.917718162 0.917763806 0.920483234 0.921737675 0.974715231 1.008060243 1.023994893 1.081040102 1.436735424 1.527992728</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">45</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.71595683" y3="-3.88853755" z3="10.99629165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.76132178" y3="-4.19962451" z3="11.15883553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.31051973" y3="-3.52306185" z3="11.96409066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.14168181" y3="-4.79254331" z3="10.72338659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.60635668" y3="-2.81034492" z3="9.91968486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.54345307" y3="-2.50705382" z3="9.79688164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.16176101" y3="-1.88823891" z3="10.18379219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11309145" y3="-3.29379969" z3="8.56392433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1279488" y3="-3.71408359" z3="8.67296879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.44901156" y3="-4.0884459" z3="8.17094729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07621919" y3="-1.72272464" z3="7.12339971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19410207" y3="0.16638389" z3="5.70056092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22284063" y3="-0.26471562" z3="6.00506566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11987773" y3="1.25821203" z3="5.902307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37479195" y3="0.00312853" z3="4.1795051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55060252" y3="0.52772384" z3="3.65424743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.30481154" y3="0.52242678" z3="3.87603604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45810362" y3="-1.44567624" z3="3.687386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58859227" y3="-1.43808749" z3="2.58527768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36841378" y3="-1.90641368" z3="4.11156591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26146863" y3="-2.33287714" z3="4.04940414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.43380454" y3="-3.33890343" z3="3.620722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.23061257" y3="-2.46396954" z3="5.14569629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08342639" y3="-1.80516234" z3="3.55273111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3522585" y3="-0.85735212" z3="4.05146165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89464912" y3="-2.52590235" z3="3.76124135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07018978" y3="-1.61691859" z3="2.46145814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00749409" y3="-2.32368258" z3="7.29951191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26921799" y3="-0.4459481" z3="6.55263059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30852689" y3="-0.18017461" z3="6.33103168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24208704" y3="-2.25808284" z3="7.62599678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.70570401" y3="0.48616215" z3="10.93230656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.81289868" y3="0.75452906" z3="12.0000844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.50750862" y3="1.00297686" z3="10.37260559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.88625283" y3="-0.60023393" z3="10.83594683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.67451119" y3="0.85131296" z3="10.39147891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.45752325" y3="0.33598137" z3="10.97363688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.8540592" y3="1.93580662" z3="10.52970706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.86568298" y3="0.47123155" z3="8.92253833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60707835" y3="-0.59511984" z3="8.78776808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.17102636" y3="1.04282739" z3="8.27930558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.31080847" y3="0.71740767" z3="8.47012374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.2590764" y3="0.37816067" z3="9.18130313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41881373" y3="1.60279507" z3="7.78752715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.716,-3.8885,10.9963;-3.7613,-4.1996,11.1588;-2.3105,-3.5231,11.9641;-2.1417,-4.7925,10.7234;-2.6064,-2.8103,9.9197;-1.5435,-2.5071,9.7969;-3.1618,-1.8882,10.1838;-3.1131,-3.2938,8.5639;-4.1279,-3.7141,8.673;-2.449,-4.0884,8.1709;-2.0762,-1.7227,7.1234;-1.1941,.1664,5.7006;-.2228,-.2647,6.0051;-1.1199,1.2582,5.9023;-1.3748,.0031,4.1795;-.5506,.5277,3.6542;-2.3048,.5224,3.876;-1.4581,-1.4457,3.6874;-1.5886,-1.4381,2.5853;-2.3684,-1.9064,4.1116;-.2615,-2.3329,4.0494;-.4338,-3.3389,3.6207;-.2306,-2.464,5.1457;1.0834,-1.8052,3.5527;1.3523,-.8574,4.0515;1.8946,-2.5259,3.7612;1.0702,-1.6169,2.4615;-1.0075,-2.3237,7.2995;-2.2692,-.4459,6.5526;-3.3085,-.1802,6.331;-3.2421,-2.2581,7.626;.7057,.4862,10.9323;.8129,.7545,12.0001;1.5075,1.003,10.3726;.8863,-.6002,10.8359;-.6745,.8513,10.3915;-1.4575,.336,10.9736;-.8541,1.9358,10.5297;-.8657,.4712,8.9225;-.6071,-.5951,8.7878;-.171,1.0428,8.2793;-2.3108,.7174,8.4701;-3.2591,.3782,9.1813;-2.4188,1.6028,7.7875;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605493894534</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.018483452451 0.002110218622 0.036741223633 0.008704281319</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.034069141 -0.008730430 0.000327243 0.000419778 0.000586961 0.000800200 0.001357751 0.001408354 0.001614756 0.001949617 0.002902274 0.003216387 0.003477098 0.005034482 0.005963731 0.006227354 0.007913011 0.009525225 0.010523412 0.011925654 0.014017909 0.014684296 0.019458295 0.021416208 0.024494895 0.026384797 0.028081152 0.029371565 0.031810438 0.032791397 0.036261453 0.039404959 0.040677841 0.041643610 0.046286577 0.048246363 0.049793541 0.050715673 0.051381595 0.052151848 0.054850070 0.055997250 0.057029900 0.057773865 0.061107127 0.065290584 0.073578882 0.075200825 0.076973218 0.077017941 0.078222116 0.079059792 0.081787276 0.083534484 0.087408792 0.087758230 0.102661572 0.107123331 0.108359830 0.112140284 0.113882501 0.114782281 0.121970322 0.131072411 0.132652686 0.138804093 0.145113214 0.148169565 0.155823263 0.161299549 0.167611033 0.170827610 0.174101008 0.176286879 0.177997540 0.197160132 0.204096017 0.209829365 0.211074375 0.213672375 0.222324744 0.227056902 0.249688588 0.274005212 0.292815939 0.302220046 0.318472047 0.355530670 0.366684639 0.416056993 0.463372064 0.488101352 0.527426086 0.547438165 0.609171527 0.611235661 0.659872420 0.706088286 0.734360042 0.741146529 0.754327379 0.764954420 0.775475731 0.777035768 0.784816278 0.786413199 0.795316833 0.811635868 0.818538021 0.832016287 0.848313474 0.855606778 0.859124854 0.879078671 0.894011982 0.894888857 0.917756028 0.919836786 0.921421177 0.939869804 0.974708693 1.008343442 1.025757041 1.081026585 1.436734725 1.527991824</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">46</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.70351432" y3="-3.86263493" z3="11.00963943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.75897733" y3="-4.16288329" z3="11.18289564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.30913872" y3="-3.4948877" z3="11.96708288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.13810119" y3="-4.77678582" z3="10.74005105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.5919542" y3="-2.80207236" z3="9.91890992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.54964892" y3="-2.49697016" z3="9.79514725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.14707331" y3="-1.89253529" z3="10.17986825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10905373" y3="-3.2931128" z3="8.56562196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12310579" y3="-3.71207621" z3="8.68225445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.4492291" y3="-4.08892302" z3="8.17651262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07659483" y3="-1.72547557" z3="7.12139786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19574886" y3="0.16552585" z3="5.69976411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22412905" y3="-0.26542692" z3="6.00303283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12117829" y3="1.25739818" z3="5.90076786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37835118" y3="0.00183946" z3="4.17900123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55654321" y3="0.52930307" z3="3.65283351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31031071" y3="0.51843955" z3="3.87686487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.4573266" y3="-1.44680216" z3="3.68566758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58970172" y3="-1.43844766" z3="2.58379459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36532565" y3="-1.91147335" z3="4.11060536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25676092" y3="-2.33004619" z3="4.04446276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42596078" y3="-3.33608132" z3="3.61455487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22395635" y3="-2.46262688" z3="5.14046552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08547199" y3="-1.79658868" z3="3.5465871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35156218" y3="-0.84846135" z3="4.04616527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89969421" y3="-2.5145628" z3="3.75292076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06998186" y3="-1.60694887" z3="2.45560764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00772983" y3="-2.32671594" z3="7.29360128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26968394" y3="-0.44510162" z3="6.55536829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30924922" y3="-0.18196359" z3="6.33119174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24150105" y3="-2.26051011" z3="7.6245736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.6954917" y3="0.46554348" z3="10.93702834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.79951218" y3="0.7280076" z3="12.00661278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.50175394" y3="0.98219727" z3="10.38329081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.87257005" y3="-0.62087258" z3="10.8362926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.68132008" y3="0.83835599" z3="10.39179955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.46884297" y3="0.32262164" z3="10.9681418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85778056" y3="1.92278349" z3="10.53431373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.86660706" y3="0.46554101" z3="8.91968496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60650944" y3="-0.5999202" z3="8.78207366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16822607" y3="1.04076974" z3="8.28246862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.31036252" y3="0.71239551" z3="8.46022822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.26144816" y3="0.37722915" z3="9.17149432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41345427" y3="1.60234366" z3="7.78173142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7035,-3.8626,11.0096;-3.759,-4.1629,11.1829;-2.3091,-3.4949,11.9671;-2.1381,-4.7768,10.7401;-2.592,-2.8021,9.9189;-1.5496,-2.497,9.7951;-3.1471,-1.8925,10.1799;-3.1091,-3.2931,8.5656;-4.1231,-3.7121,8.6823;-2.4492,-4.0889,8.1765;-2.0766,-1.7255,7.1214;-1.1957,.1655,5.6998;-.2241,-.2654,6.003;-1.1212,1.2574,5.9008;-1.3784,.0018,4.179;-.5565,.5293,3.6528;-2.3103,.5184,3.8769;-1.4573,-1.4468,3.6857;-1.5897,-1.4384,2.5838;-2.3653,-1.9115,4.1106;-.2568,-2.33,4.0445;-.426,-3.3361,3.6146;-.224,-2.4626,5.1405;1.0855,-1.7966,3.5466;1.3516,-.8485,4.0462;1.8997,-2.5146,3.7529;1.07,-1.6069,2.4556;-1.0077,-2.3267,7.2936;-2.2697,-.4451,6.5554;-3.3092,-.182,6.3312;-3.2415,-2.2605,7.6246;.6955,.4655,10.937;.7995,.728,12.0066;1.5018,.9822,10.3833;.8726,-.6209,10.8363;-.6813,.8384,10.3918;-1.4688,.3226,10.9681;-.8578,1.9228,10.5343;-.8666,.4655,8.9197;-.6065,-.5999,8.7821;-.1682,1.0408,8.2825;-2.3104,.7124,8.4602;-3.2614,.3772,9.1715;-2.4135,1.6023,7.7817;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605495491300</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.018856058981 0.002127385747 0.027771930003 0.008703659716</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.034402569 -0.006776493 0.000295366 0.000431272 0.000586929 0.000761175 0.001357260 0.001406513 0.001629376 0.001957025 0.002902710 0.003205988 0.003475188 0.005037814 0.005963606 0.006228725 0.007961543 0.009535810 0.010619672 0.011923808 0.014488048 0.014870874 0.019527270 0.021428935 0.024528779 0.026384847 0.028081356 0.029402216 0.031818096 0.032792166 0.036452533 0.039525844 0.040688058 0.041647729 0.046287397 0.048507768 0.049800860 0.050712963 0.051391832 0.052177158 0.054966724 0.055997249 0.057025295 0.057773258 0.061106025 0.065288035 0.073579219 0.075203795 0.076978973 0.077096911 0.078221555 0.079069190 0.081789276 0.083537811 0.087406682 0.087761333 0.102661691 0.107125122 0.108360527 0.112143994 0.113885720 0.114786524 0.122608528 0.131294442 0.132724052 0.138813012 0.145149933 0.149193410 0.156315801 0.161305090 0.170605629 0.172919546 0.175735044 0.177219011 0.178330467 0.197146993 0.204091038 0.210365030 0.212925627 0.217195370 0.222338293 0.228657334 0.249684061 0.274133784 0.295784016 0.302231209 0.318529374 0.355557625 0.366684914 0.416056437 0.463401530 0.488135201 0.527431542 0.547474397 0.609172955 0.611317138 0.659963117 0.706397357 0.734368493 0.741156756 0.754330382 0.764954940 0.775475249 0.777066042 0.784820365 0.786413403 0.795316831 0.811635013 0.818539597 0.832511349 0.848333567 0.855607412 0.859142314 0.879079389 0.894197738 0.895812244 0.917756285 0.919875937 0.921453420 0.962774742 0.974812985 1.008364819 1.025779664 1.082324392 1.436749400 1.528001469</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">47</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.70747067" y3="-3.84359312" z3="11.02083609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.75539133" y3="-4.13767919" z3="11.19816004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.29765877" y3="-3.46711577" z3="11.97886675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.1459606" y3="-4.75860952" z3="10.76057436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.59398122" y3="-2.79509484" z3="9.92026189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.53206166" y3="-2.50391377" z3="9.78932444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.1401909" y3="-1.8666904" z3="10.17248035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10769316" y3="-3.29244577" z3="8.5725414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13126623" y3="-3.70379073" z3="8.69489981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.4502712" y3="-4.09566288" z3="8.18432835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07769206" y3="-1.72991376" z3="7.12046086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19927885" y3="0.16218671" z3="5.69691121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22646859" y3="-0.26655093" z3="5.99950082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12720388" y3="1.25403722" z3="5.89882603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.3823016" y3="-0.00060298" z3="4.17618386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56377636" y3="0.53164878" z3="3.64977442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31724007" y3="0.51142766" z3="3.87554208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45412527" y3="-1.44916201" z3="3.68174094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58801583" y3="-1.44086983" z3="2.58004128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35885387" y3="-1.91910043" z3="4.10776737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24803986" y3="-2.32565676" z3="4.03843123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41152979" y3="-3.33213327" z3="3.60736949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21371424" y3="-2.4594053" z3="5.13429663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09043951" y3="-1.78344371" z3="3.5398501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35148058" y3="-0.83446793" z3="4.04050396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90926497" y3="-2.49681855" z3="3.74395595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07234471" y3="-1.59219396" z3="2.44917968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00869423" y3="-2.33129529" z3="7.29316311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27181282" y3="-0.45109834" z3="6.55191731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31180431" y3="-0.18848466" z3="6.32955314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24173054" y3="-2.26354876" z3="7.62757355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.68966993" y3="0.44603352" z3="10.9385552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.79235683" y3="0.70370892" z3="12.00928186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.49926167" y3="0.96092616" z3="10.38860098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.86239551" y3="-0.64074372" z3="10.83401216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.6844678" y3="0.82658052" z3="10.39270586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.47486276" y3="0.31137119" z3="10.96516815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85734739" y3="1.91102115" z3="10.53987787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8685142" y3="0.46073048" z3="8.91922977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60772259" y3="-0.60409943" z3="8.77676761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16998643" y3="1.03840027" z3="8.28519948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.31166435" y3="0.71026153" z3="8.45964955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.26351008" y3="0.37748628" z3="9.17001332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.413272" y3="1.59775255" z3="7.77849453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7075,-3.8436,11.0208;-3.7554,-4.1377,11.1982;-2.2977,-3.4671,11.9789;-2.146,-4.7586,10.7606;-2.594,-2.7951,9.9203;-1.5321,-2.5039,9.7893;-3.1402,-1.8667,10.1725;-3.1077,-3.2924,8.5725;-4.1313,-3.7038,8.6949;-2.4503,-4.0957,8.1843;-2.0777,-1.7299,7.1205;-1.1993,.1622,5.6969;-.2265,-.2666,5.9995;-1.1272,1.254,5.8988;-1.3823,-.0006,4.1762;-.5638,.5316,3.6498;-2.3172,.5114,3.8755;-1.4541,-1.4492,3.6817;-1.588,-1.4409,2.58;-2.3589,-1.9191,4.1078;-.248,-2.3257,4.0384;-.4115,-3.3321,3.6074;-.2137,-2.4594,5.1343;1.0904,-1.7834,3.5399;1.3515,-.8345,4.0405;1.9093,-2.4968,3.744;1.0723,-1.5922,2.4492;-1.0087,-2.3313,7.2932;-2.2718,-.4511,6.5519;-3.3118,-.1885,6.3296;-3.2417,-2.2635,7.6276;.6897,.446,10.9386;.7924,.7037,12.0093;1.4993,.9609,10.3886;.8624,-.6407,10.834;-.6845,.8266,10.3927;-1.4749,.3114,10.9652;-.8573,1.911,10.5399;-.8685,.4607,8.9192;-.6077,-.6041,8.7768;-.17,1.0384,8.2852;-2.3117,.7103,8.4596;-3.2635,.3775,9.17;-2.4133,1.5978,7.7785;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605527426658</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010939907173 0.001654824299 0.027512341371 0.008702894944</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.034753633 -0.004991174 0.000263560 0.000425551 0.000589288 0.000742750 0.001362950 0.001415367 0.001756021 0.001975674 0.002902645 0.003391081 0.003715402 0.005080531 0.005963493 0.006268066 0.008081226 0.009548688 0.010637808 0.011931927 0.014493437 0.014919169 0.019556310 0.021431885 0.024544474 0.026384956 0.028083053 0.029438594 0.031824206 0.032793581 0.036442404 0.039584768 0.040703559 0.041649278 0.046289618 0.048856214 0.049811275 0.050708589 0.051408963 0.052225712 0.055437346 0.056002310 0.057030972 0.057781320 0.061118111 0.065286095 0.073581836 0.075210162 0.076979959 0.077167861 0.078220924 0.079075962 0.081801269 0.083560324 0.087466839 0.087987474 0.102662175 0.107124910 0.108360687 0.112144387 0.113885599 0.114786803 0.122571490 0.131661243 0.132793489 0.138813902 0.145158290 0.149337817 0.156353522 0.161306212 0.170633246 0.173172368 0.176008642 0.177840989 0.181320694 0.197160450 0.204123603 0.210377286 0.213001406 0.220082445 0.222335905 0.231589179 0.249677623 0.274357046 0.296495827 0.302440558 0.318750861 0.355659908 0.366689893 0.416058016 0.463482720 0.488240836 0.527431288 0.547597884 0.609173688 0.611532188 0.660106281 0.706535580 0.734368568 0.741164815 0.754330631 0.764955029 0.775476390 0.777065608 0.784821611 0.786413716 0.795316832 0.811634801 0.818541458 0.832941612 0.848347168 0.855607157 0.859163406 0.879086885 0.894213693 0.896058939 0.917756683 0.919894810 0.921467186 0.973734926 0.977339175 1.008378965 1.028229334 1.085142267 1.436753708 1.528020180</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">48</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.71295802" y3="-3.82901151" z3="11.03144385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77360404" y3="-4.11016685" z3="11.20878428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.3101898" y3="-3.44407844" z3="11.98173695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.1597764" y3="-4.76092165" z3="10.78655832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.58307817" y3="-2.78279441" z3="9.92487339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.52974023" y3="-2.49414807" z3="9.80122556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.12758291" y3="-1.85227496" z3="10.16288799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1013281" y3="-3.29075645" z3="8.5809174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11273778" y3="-3.70851739" z3="8.70529666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.44105165" y3="-4.08737525" z3="8.19821325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07639022" y3="-1.73366623" z3="7.11876031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20328192" y3="0.16056264" z3="5.69599987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22936199" y3="-0.26673052" z3="5.99711262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13249382" y3="1.25255767" z3="5.89719384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38875811" y3="-0.00328294" z3="4.17582818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57425738" y3="0.53365724" z3="3.64795672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32709123" y3="0.50371146" z3="3.87728275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45308436" y3="-1.45200619" z3="3.68066353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58967505" y3="-1.44359921" z3="2.57933531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35396006" y3="-1.92796662" z3="4.10828273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24068256" y3="-2.32142909" z3="4.03345676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.3986798" y3="-3.32829" z3="3.60122438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20347718" y3="-2.45665761" z3="5.12901006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09333641" y3="-1.77004168" z3="3.53277052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34979394" y3="-0.82030513" z3="4.03435988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91704443" y3="-2.47872432" z3="3.73362532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07150778" y3="-1.57699049" z3="2.44250473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00620258" y3="-2.33301482" z3="7.28717344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27327872" y3="-0.45283578" z3="6.55458257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31391142" y3="-0.19217679" z3="6.33283644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23810194" y3="-2.2701469" z3="7.62650787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.68480635" y3="0.42744761" z3="10.93907153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.78595428" y3="0.67976075" z3="12.01191575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.49874981" y3="0.94169276" z3="10.39351673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.85231234" y3="-0.66013658" z3="10.82978752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.68639273" y3="0.81613235" z3="10.39052662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.4805673" y3="0.30189031" z3="10.95913077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.85499518" y3="1.9007611" z3="10.54111167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.86766997" y3="0.45577831" z3="8.91508037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60519226" y3="-0.60807796" z3="8.76988082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16795082" y3="1.03614686" z3="8.28434569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.31063305" y3="0.70493411" z3="8.45223065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.26401822" y3="0.37539762" z3="9.16379916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40971216" y3="1.59508039" z3="7.7735701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.713,-3.829,11.0314;-3.7736,-4.1102,11.2088;-2.3102,-3.4441,11.9817;-2.1598,-4.7609,10.7866;-2.5831,-2.7828,9.9249;-1.5297,-2.4941,9.8012;-3.1276,-1.8523,10.1629;-3.1013,-3.2908,8.5809;-4.1127,-3.7085,8.7053;-2.4411,-4.0874,8.1982;-2.0764,-1.7337,7.1188;-1.2033,.1606,5.696;-.2294,-.2667,5.9971;-1.1325,1.2526,5.8972;-1.3888,-.0033,4.1758;-.5743,.5337,3.648;-2.3271,.5037,3.8773;-1.4531,-1.452,3.6807;-1.5897,-1.4436,2.5793;-2.354,-1.928,4.1083;-.2407,-2.3214,4.0335;-.3987,-3.3283,3.6012;-.2035,-2.4567,5.129;1.0933,-1.77,3.5328;1.3498,-.8203,4.0344;1.917,-2.4787,3.7336;1.0715,-1.577,2.4425;-1.0062,-2.333,7.2872;-2.2733,-.4528,6.5546;-3.3139,-.1922,6.3328;-3.2381,-2.2701,7.6265;.6848,.4274,10.9391;.786,.6798,12.0119;1.4987,.9417,10.3935;.8523,-.6601,10.8298;-.6864,.8161,10.3905;-1.4806,.3019,10.9591;-.855,1.9008,10.5411;-.8677,.4558,8.9151;-.6052,-.6081,8.7699;-.168,1.0361,8.2843;-2.3106,.7049,8.4522;-3.264,.3754,9.1638;-2.4097,1.5951,7.7736;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605518301434</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008221403510 0.001439125574 0.035475261880 0.008704172748</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.035254991 -0.004728288 0.000293008 0.000473781 0.000590510 0.000759045 0.001368855 0.001415646 0.001783607 0.001967508 0.002906126 0.003416591 0.004184672 0.005244141 0.005963186 0.006379817 0.008796170 0.009667526 0.010898742 0.011932193 0.014525042 0.014963359 0.019569499 0.021434621 0.024556994 0.026391119 0.028093366 0.029461480 0.031829718 0.032808511 0.036632055 0.039650926 0.040730259 0.041650431 0.046290960 0.049079109 0.049825294 0.050706645 0.051415303 0.052235106 0.055971930 0.056361411 0.057154987 0.057864503 0.061167282 0.065284131 0.073582619 0.075214136 0.076982100 0.078216309 0.079015328 0.079197188 0.081909754 0.083737725 0.087506404 0.088582664 0.102662437 0.107127563 0.108360629 0.112148365 0.113887562 0.114792467 0.122952498 0.132196870 0.132963539 0.138814182 0.145157261 0.149349282 0.156369052 0.161307403 0.170636391 0.173165268 0.176025264 0.177872313 0.183430528 0.197162641 0.204126078 0.210380558 0.213070388 0.221972965 0.222470839 0.233352375 0.249731299 0.274617759 0.296477129 0.302826570 0.319064210 0.355829285 0.366774863 0.416068048 0.463906216 0.488633041 0.527432552 0.547984311 0.609186813 0.612063851 0.660268068 0.706547990 0.734378742 0.741164537 0.754337561 0.764956414 0.775480470 0.777234282 0.784831391 0.786413792 0.795317216 0.811654832 0.818549807 0.834636959 0.848378412 0.855608142 0.859221043 0.879086801 0.894249683 0.896065148 0.917757191 0.919906929 0.921572597 0.974623361 0.982631252 1.008796298 1.028970168 1.088190521 1.436753097 1.528026379</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">49</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.71798973" y3="-3.80817336" z3="11.0450672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.76592632" y3="-4.09610758" z3="11.21529004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.31537195" y3="-3.42092327" z3="12.00007139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.15693509" y3="-4.72544638" z3="10.80211828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.59397409" y3="-2.775467" z3="9.93089649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.53847357" y3="-2.48434468" z3="9.80719494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.14337167" y3="-1.85404973" z3="10.16559434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10112962" y3="-3.29087576" z3="8.58581767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11993304" y3="-3.7087203" z3="8.71185976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43787679" y3="-4.09487954" z3="8.20779808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07644248" y3="-1.73789188" z3="7.11787432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20744087" y3="0.15759488" z3="5.69185413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23202763" y3="-0.26658909" z3="5.99249303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13997667" y3="1.24981996" z3="5.89339526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39335585" y3="-0.00643441" z3="4.17179788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.58315899" y3="0.5358845" z3="3.64294624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.33536143" y3="0.49454249" z3="3.87487817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44901093" y3="-1.45550106" z3="3.67684018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5873605" y3="-1.44840715" z3="2.57572756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34586079" y3="-1.93727286" z3="4.10620217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23013399" y3="-2.31635528" z3="4.02814406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.3811" y3="-3.32404696" z3="3.59536129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.191303" y3="-2.4520618" z3="5.12363319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09922715" y3="-1.75476692" z3="3.52648399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34981646" y3="-0.80412822" z3="4.02933108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92832581" y3="-2.45785122" z3="3.72443863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0740545" y3="-1.55982442" z3="2.43664927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0058547" y3="-2.3369549" z3="7.28708058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27541489" y3="-0.45945249" z3="6.54979377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3167651" y3="-0.19884758" z3="6.33145863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23840724" y3="-2.27306044" z3="7.6296193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.68510935" y3="0.40728817" z3="10.93765378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.78921838" y3="0.65885375" z3="12.00898925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.5003281" y3="0.9160809" z3="10.39130667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.84660009" y3="-0.68047457" z3="10.82801621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.68424087" y3="0.80512597" z3="10.3914787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.48029079" y3="0.29291802" z3="10.95877424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.8472247" y3="1.89028154" z3="10.54613628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.86816893" y3="0.45158609" z3="8.91432925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60730451" y3="-0.6122552" z3="8.76350884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16879141" y3="1.03398245" z3="8.28487408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.3108792" y3="0.70567862" z3="8.45393543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.26482325" y3="0.37913917" z3="9.16526921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40936101" y3="1.59177488" z3="7.77038997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.718,-3.8082,11.0451;-3.7659,-4.0961,11.2153;-2.3154,-3.4209,12.0001;-2.1569,-4.7254,10.8021;-2.594,-2.7755,9.9309;-1.5385,-2.4843,9.8072;-3.1434,-1.854,10.1656;-3.1011,-3.2909,8.5858;-4.1199,-3.7087,8.7119;-2.4379,-4.0949,8.2078;-2.0764,-1.7379,7.1179;-1.2074,.1576,5.6919;-.232,-.2666,5.9925;-1.14,1.2498,5.8934;-1.3934,-.0064,4.1718;-.5832,.5359,3.6429;-2.3354,.4945,3.8749;-1.449,-1.4555,3.6768;-1.5874,-1.4484,2.5757;-2.3459,-1.9373,4.1062;-.2301,-2.3164,4.0281;-.3811,-3.324,3.5954;-.1913,-2.4521,5.1236;1.0992,-1.7548,3.5265;1.3498,-.8041,4.0293;1.9283,-2.4579,3.7244;1.0741,-1.5598,2.4366;-1.0059,-2.337,7.2871;-2.2754,-.4595,6.5498;-3.3168,-.1988,6.3315;-3.2384,-2.2731,7.6296;.6851,.4073,10.9377;.7892,.6589,12.009;1.5003,.9161,10.3913;.8466,-.6805,10.828;-.6842,.8051,10.3915;-1.4803,.2929,10.9588;-.8472,1.8903,10.5461;-.8682,.4516,8.9143;-.6073,-.6123,8.7635;-.1688,1.034,8.2849;-2.3109,.7057,8.4539;-3.2648,.3791,9.1653;-2.4094,1.5918,7.7704;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605513720636</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006774499752 0.001415315097 0.026323280145 0.008702596279</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.035774736 -0.004086973 0.000217262 0.000448098 0.000592050 0.000718716 0.001367149 0.001417090 0.001786410 0.001979841 0.002927565 0.003424526 0.004176864 0.005250125 0.005962955 0.006413700 0.009157157 0.009798163 0.010977606 0.011961746 0.014606554 0.015815151 0.019569162 0.021432291 0.024555019 0.026401724 0.028102060 0.029460079 0.031829172 0.032828553 0.037027731 0.039664598 0.040736303 0.041651388 0.046291827 0.049095081 0.049825593 0.050703563 0.051415293 0.052235015 0.055982782 0.056789703 0.057482281 0.058479054 0.061264508 0.065287563 0.073583226 0.075216171 0.076983119 0.078219571 0.079062265 0.079997961 0.082087352 0.085202441 0.087507494 0.089102627 0.102662370 0.107139718 0.108360468 0.112155890 0.113896179 0.114809699 0.124082694 0.132570721 0.133582835 0.138818043 0.145164444 0.149585758 0.156622042 0.161308241 0.170640453 0.173322858 0.176026071 0.177874388 0.184300396 0.197193719 0.204135110 0.210485965 0.213384112 0.222229995 0.225295283 0.233876129 0.249748033 0.274632082 0.297941248 0.302943280 0.319056696 0.355824352 0.366833667 0.416074850 0.464229789 0.489041113 0.527478810 0.548296810 0.609194810 0.612343260 0.660307254 0.706718615 0.734398134 0.741165514 0.754346201 0.764959395 0.775500838 0.777245305 0.784844245 0.786413807 0.795318521 0.811713304 0.818565585 0.837181026 0.848416301 0.855608037 0.859302620 0.879122077 0.894406791 0.898272558 0.917758162 0.919938987 0.921673506 0.974827694 0.984794752 1.011657030 1.028971003 1.089075304 1.436822381 1.528032865</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">50</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.72661228" y3="-3.79588192" z3="11.05569091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78746553" y3="-4.08121801" z3="11.23292471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.33400231" y3="-3.39607056" z3="12.00575033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.16598523" y3="-4.72410987" z3="10.82288129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.59864401" y3="-2.77065732" z3="9.9336107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.54118918" y3="-2.47726356" z3="9.81076256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.14916208" y3="-1.83451176" z3="10.16151811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10226872" y3="-3.29548891" z3="8.58893896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11610363" y3="-3.7169608" z3="8.70727117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43228749" y3="-4.09164451" z3="8.21894791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07913308" y3="-1.74343403" z3="7.11954891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.21311664" y3="0.1542715" z3="5.69234467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23572937" y3="-0.26662066" z3="5.99143307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.14834975" y3="1.24680239" z3="5.89304825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.40126907" y3="-0.01080661" z3="4.17275514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.59661936" y3="0.53823938" z3="3.64208589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.34808885" y3="0.48261666" z3="3.87811813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44581392" y3="-1.46022833" z3="3.67772104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58696222" y3="-1.45424095" z3="2.5769413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.33736694" y3="-1.95005848" z3="4.10933243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21812806" y3="-2.31005941" z3="4.02581137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.36045626" y3="-3.31878187" z3="3.59243679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.17619103" y3="-2.44648586" z3="5.12113511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10498903" y3="-1.73543666" z3="3.5217272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34850429" y3="-0.78350557" z3="4.02568135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.94104322" y3="-2.43152794" z3="3.71583382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07493941" y3="-1.53844462" z3="2.43233516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00809339" y3="-2.34108022" z3="7.28972755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27870459" y3="-0.46425257" z3="6.55269313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32045588" y3="-0.20425045" z3="6.33540689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24064323" y3="-2.28060465" z3="7.62885359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.68878765" y3="0.39371561" z3="10.93111108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.79430843" y3="0.64317344" z3="12.00420421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.50808116" y3="0.89859672" z3="10.38502877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.84353809" y3="-0.69545222" z3="10.82071809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.6788887" y3="0.798513" z3="10.38610955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.47710138" y3="0.28997587" z3="10.95352038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.83719525" y3="1.88369794" z3="10.54108998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8649895" y3="0.4454279" z3="8.91051509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60501154" y3="-0.61784722" z3="8.76035422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16546055" y3="1.02615194" z3="8.2808163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30816971" y3="0.70068724" z3="8.45160415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.26123486" y3="0.37680368" z3="9.16521907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40565951" y3="1.58763959" z3="7.76881451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7266,-3.7959,11.0557;-3.7875,-4.0812,11.2329;-2.334,-3.3961,12.0058;-2.166,-4.7241,10.8229;-2.5986,-2.7707,9.9336;-1.5412,-2.4773,9.8108;-3.1492,-1.8345,10.1615;-3.1023,-3.2955,8.5889;-4.1161,-3.717,8.7073;-2.4323,-4.0916,8.2189;-2.0791,-1.7434,7.1195;-1.2131,.1543,5.6923;-.2357,-.2666,5.9914;-1.1483,1.2468,5.893;-1.4013,-.0108,4.1728;-.5966,.5382,3.6421;-2.3481,.4826,3.8781;-1.4458,-1.4602,3.6777;-1.587,-1.4542,2.5769;-2.3374,-1.9501,4.1093;-.2181,-2.3101,4.0258;-.3605,-3.3188,3.5924;-.1762,-2.4465,5.1211;1.105,-1.7354,3.5217;1.3485,-.7835,4.0257;1.941,-2.4315,3.7158;1.0749,-1.5384,2.4323;-1.0081,-2.3411,7.2897;-2.2787,-.4643,6.5527;-3.3205,-.2043,6.3354;-3.2406,-2.2806,7.6289;.6888,.3937,10.9311;.7943,.6432,12.0042;1.5081,.8986,10.385;.8435,-.6955,10.8207;-.6789,.7985,10.3861;-1.4771,.29,10.9535;-.8372,1.8837,10.5411;-.865,.4454,8.9105;-.605,-.6178,8.7604;-.1655,1.0262,8.2808;-2.3082,.7007,8.4516;-3.2612,.3768,9.1652;-2.4057,1.5876,7.7688;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605522452319</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008531052256 0.001486409112 0.026863531026 0.008704428779</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036053922 -0.004208444 0.000235857 0.000509337 0.000594800 0.000763833 0.001367593 0.001418620 0.001815157 0.001971109 0.002949770 0.003427644 0.004317605 0.005273664 0.005962793 0.006414074 0.009157147 0.009785730 0.011048010 0.012031364 0.014607283 0.016474300 0.019594852 0.021434393 0.024561261 0.026414839 0.028103346 0.029464774 0.031830257 0.032845514 0.037264872 0.039672295 0.040736555 0.041651732 0.046291512 0.049120156 0.049827088 0.050703069 0.051419330 0.052252120 0.055983672 0.056827391 0.057555176 0.059009747 0.061338929 0.065308699 0.073585190 0.075218816 0.076984757 0.078218765 0.079064097 0.079987342 0.082081848 0.087076308 0.087616772 0.089018322 0.102662289 0.107143428 0.108360762 0.112155061 0.113906134 0.114825497 0.124859746 0.132641664 0.134221164 0.138819048 0.145181259 0.149843302 0.156867436 0.161311513 0.170643929 0.173559485 0.176026080 0.177875032 0.184315998 0.197269570 0.204150885 0.210585933 0.213691518 0.222238426 0.228294691 0.234198910 0.249757942 0.274634790 0.299439266 0.302988086 0.319123220 0.355913608 0.366856478 0.416107006 0.464361738 0.489300194 0.527520536 0.548418828 0.609195465 0.612359438 0.660350564 0.707640584 0.734440841 0.741177664 0.754356892 0.764961514 0.775506743 0.777250215 0.784867533 0.786414342 0.795319880 0.811733293 0.818578603 0.839762444 0.848459881 0.855614112 0.859366829 0.879148023 0.894463984 0.903068160 0.917763491 0.919953522 0.921787948 0.974959451 0.985414804 1.015290509 1.029816293 1.089268351 1.436845372 1.528047194</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">51</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.74470112" y3="-3.78781403" z3="11.06151304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.7941961" y3="-4.08356571" z3="11.21874513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.36086584" y3="-3.38380725" z3="12.01627195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17330738" y3="-4.70990045" z3="10.84200783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.61053062" y3="-2.75911192" z3="9.94064878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.55666513" y3="-2.45784349" z3="9.83086536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.17160157" y3="-1.84028753" z3="10.15536971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09578687" y3="-3.29322427" z3="8.59640363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10701992" y3="-3.72689785" z3="8.71502296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.41687224" y3="-4.0881931" z3="8.23012979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0772044" y3="-1.74578958" z3="7.11750841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.21907662" y3="0.15284582" z3="5.68931533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.24046643" y3="-0.2651302" z3="5.98839528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.15758358" y3="1.24568196" z3="5.88929218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.40848572" y3="-0.01515521" z3="4.17044656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.60901058" y3="0.53885409" z3="3.63745527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.35948567" y3="0.47096917" z3="3.8774379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44355752" y3="-1.46575596" z3="3.67816984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58720244" y3="-1.46291525" z3="2.57776855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.33028946" y3="-1.96136527" z3="4.11276786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20878117" y3="-2.30558182" z3="4.0252442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.34344277" y3="-3.31556518" z3="3.59244936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.16467916" y3="-2.44137343" z3="5.12056033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10881828" y3="-1.72026849" z3="3.51926975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34590668" y3="-0.76696905" z3="4.02364478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.95077699" y3="-2.40983389" z3="3.71078628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07487552" y3="-1.52232199" z3="2.43018023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00428294" y3="-2.34038834" z3="7.28742059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28168447" y3="-0.46895988" z3="6.54982188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32447809" y3="-0.20984194" z3="6.33701969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23696681" y3="-2.28716265" z3="7.62770224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.69614929" y3="0.37983858" z3="10.9262389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.8067687" y3="0.62885102" z3="11.99841666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.51497612" y3="0.88148117" z3="10.37732104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.84525565" y3="-0.71013376" z3="10.8135752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.67094454" y3="0.7921773" z3="10.38514186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.47086236" y3="0.28573689" z3="10.95307983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.82289453" y3="1.8787515" z3="10.54272504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.86226386" y3="0.4433462" z3="8.90752728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60492349" y3="-0.62115477" z3="8.75224838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16322918" y3="1.02512671" z3="8.27667115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30598159" y3="0.70309238" z3="8.45395167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.2586984" y3="0.3831316" z3="9.1695989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40386644" y3="1.58581518" z3="7.76624226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7447,-3.7878,11.0615;-3.7942,-4.0836,11.2187;-2.3609,-3.3838,12.0163;-2.1733,-4.7099,10.842;-2.6105,-2.7591,9.9406;-1.5567,-2.4578,9.8309;-3.1716,-1.8403,10.1554;-3.0958,-3.2932,8.5964;-4.107,-3.7269,8.715;-2.4169,-4.0882,8.2301;-2.0772,-1.7458,7.1175;-1.2191,.1528,5.6893;-.2405,-.2651,5.9884;-1.1576,1.2457,5.8893;-1.4085,-.0152,4.1704;-.609,.5389,3.6375;-2.3595,.471,3.8774;-1.4436,-1.4658,3.6782;-1.5872,-1.4629,2.5778;-2.3303,-1.9614,4.1128;-.2088,-2.3056,4.0252;-.3434,-3.3156,3.5924;-.1647,-2.4414,5.1206;1.1088,-1.7203,3.5193;1.3459,-.767,4.0236;1.9508,-2.4098,3.7108;1.0749,-1.5223,2.4302;-1.0043,-2.3404,7.2874;-2.2817,-.469,6.5498;-3.3245,-.2098,6.337;-3.237,-2.2872,7.6277;.6961,.3798,10.9262;.8068,.6289,11.9984;1.515,.8815,10.3773;.8453,-.7101,10.8136;-.6709,.7922,10.3851;-1.4709,.2857,10.9531;-.8229,1.8788,10.5427;-.8623,.4433,8.9075;-.6049,-.6212,8.7522;-.1632,1.0251,8.2767;-2.306,.7031,8.454;-3.2587,.3831,9.1696;-2.4039,1.5858,7.7662;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605539088886</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008809910820 0.001329819533 0.028020420080 0.008704831980</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036157932 -0.002911337 0.000225643 0.000495751 0.000595350 0.000725830 0.001367773 0.001429887 0.001841994 0.001973177 0.002950104 0.003432524 0.004371875 0.005308869 0.005962559 0.006426994 0.009175095 0.009820638 0.011258906 0.012056697 0.014608404 0.016622729 0.019620565 0.021437026 0.024574079 0.026418329 0.028106051 0.029487913 0.031834016 0.032853004 0.037336807 0.039671503 0.040740044 0.041651849 0.046291545 0.049280379 0.049839735 0.050715654 0.051430688 0.052283292 0.055984353 0.056854328 0.057568787 0.059180328 0.061343976 0.065328359 0.073586085 0.075221034 0.076987060 0.078219452 0.079083343 0.080417052 0.082189263 0.087357729 0.088222757 0.089490115 0.102662325 0.107143255 0.108364743 0.112155063 0.113919579 0.114853044 0.125563602 0.132665361 0.134575236 0.138820895 0.145198395 0.149979425 0.157009793 0.161313199 0.170652727 0.173723507 0.176034810 0.177880100 0.184431515 0.197306925 0.204154429 0.210703522 0.213862357 0.222260311 0.230274091 0.235088171 0.249802058 0.274650152 0.300111167 0.302988298 0.319281071 0.356152352 0.366862355 0.416199781 0.464360025 0.489403918 0.527542483 0.548446354 0.609204155 0.612385971 0.660554326 0.708920770 0.734484214 0.741192037 0.754366496 0.764963651 0.775510240 0.777296579 0.784928183 0.786415885 0.795322601 0.811734081 0.818587096 0.840968529 0.848481587 0.855613907 0.859384416 0.879202332 0.894463957 0.909113471 0.917769297 0.919993809 0.921852637 0.974971949 0.985981913 1.018498232 1.030434019 1.089276609 1.436878563 1.528067536</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">52</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.75435172" y3="-3.78659135" z3="11.06668659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81031603" y3="-4.09271616" z3="11.21871528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.3877343" y3="-3.38040421" z3="12.02471186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.16990085" y3="-4.69707575" z3="10.84598921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.6287429" y3="-2.76139753" z3="9.94647289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.57761935" y3="-2.44655699" z3="9.84234305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.19962199" y3="-1.83690017" z3="10.16289613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09964689" y3="-3.29765339" z3="8.59544161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10761787" y3="-3.73755498" z3="8.69924121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40969285" y3="-4.08317164" z3="8.23981206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07923464" y3="-1.74738323" z3="7.12007819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.22451661" y3="0.15220516" z3="5.68740517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.24353816" y3="-0.26065731" z3="5.98578985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.16718123" y3="1.24589783" z3="5.88448151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.41604452" y3="-0.02057512" z3="4.16933742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.62242776" y3="0.53851339" z3="3.63286226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37173687" y3="0.45707965" z3="3.87762677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44045352" y3="-1.47275591" z3="3.68113288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58691138" y3="-1.47433325" z3="2.58109615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.32187793" y3="-1.97453054" z3="4.11948816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.19761734" y3="-2.30096676" z3="4.02757185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.32345684" y3="-3.31255977" z3="3.59581101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.15141319" y3="-2.43536005" z3="5.122996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11394269" y3="-1.70384475" z3="3.51959402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34335929" y3="-0.74853867" z3="4.02380981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.96240629" y3="-2.38588982" z3="3.70944365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07626917" y3="-1.505912" z3="2.43063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0061726" y3="-2.34232906" z3="7.28947675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28397637" y3="-0.47106847" z3="6.5508435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32737617" y3="-0.21153572" z3="6.34150585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24041181" y3="-2.2865464" z3="7.63328816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.70733001" y3="0.37314544" z3="10.91661537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.8244535" y3="0.62807402" z3="11.98559666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.52605042" y3="0.86600366" z3="10.3608371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.85123373" y3="-0.71691143" z3="10.81141838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.66033133" y3="0.78960343" z3="10.38062014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.45891864" y3="0.28704167" z3="10.95250766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.80853238" y3="1.87615191" z3="10.53735311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.85768357" y3="0.43979804" z3="8.90505563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60362104" y3="-0.62463705" z3="8.75094865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15956568" y3="1.01822788" z3="8.27113353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.30200702" y3="0.70325077" z3="8.45514745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.25381778" y3="0.38560612" z3="9.17251426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.39933774" y3="1.5851458" z3="7.76604604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.7544,-3.7866,11.0667;-3.8103,-4.0927,11.2187;-2.3877,-3.3804,12.0247;-2.1699,-4.6971,10.846;-2.6287,-2.7614,9.9465;-1.5776,-2.4466,9.8423;-3.1996,-1.8369,10.1629;-3.0996,-3.2977,8.5954;-4.1076,-3.7376,8.6992;-2.4097,-4.0832,8.2398;-2.0792,-1.7474,7.1201;-1.2245,.1522,5.6874;-.2435,-.2607,5.9858;-1.1672,1.2459,5.8845;-1.416,-.0206,4.1693;-.6224,.5385,3.6329;-2.3717,.4571,3.8776;-1.4405,-1.4728,3.6811;-1.5869,-1.4743,2.5811;-2.3219,-1.9745,4.1195;-.1976,-2.301,4.0276;-.3235,-3.3126,3.5958;-.1514,-2.4354,5.123;1.1139,-1.7038,3.5196;1.3434,-.7485,4.0238;1.9624,-2.3859,3.7094;1.0763,-1.5059,2.4306;-1.0062,-2.3423,7.2895;-2.284,-.4711,6.5508;-3.3274,-.2115,6.3415;-3.2404,-2.2865,7.6333;.7073,.3731,10.9166;.8245,.6281,11.9856;1.5261,.866,10.3608;.8512,-.7169,10.8114;-.6603,.7896,10.3806;-1.4589,.287,10.9525;-.8085,1.8762,10.5374;-.8577,.4398,8.9051;-.6036,-.6246,8.7509;-.1596,1.0182,8.2711;-2.302,.7033,8.4551;-3.2538,.3856,9.1725;-2.3993,1.5851,7.766;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605558728812</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008474263930 0.001220436560 0.030953717195 0.008702827467</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036151972 -0.002702910 0.000151490 0.000502918 0.000595729 0.000723630 0.001371478 0.001428311 0.001865991 0.001994943 0.003121907 0.003538083 0.004373040 0.005310041 0.005962535 0.006447773 0.009218032 0.009842894 0.011283066 0.012060401 0.014624403 0.016644896 0.019624188 0.021436170 0.024577796 0.026418135 0.028122727 0.029559844 0.031838088 0.032852153 0.037367618 0.039673188 0.040750575 0.041654453 0.046291767 0.049553326 0.049914640 0.050722262 0.051450570 0.052323262 0.055984760 0.056866401 0.057567995 0.059165963 0.061385159 0.065327064 0.073585875 0.075220992 0.076989086 0.078220709 0.079083851 0.080675451 0.082368975 0.087369788 0.088320250 0.089900051 0.102662552 0.107148413 0.108368848 0.112155100 0.113928794 0.114873050 0.126089441 0.132669412 0.134842722 0.138820566 0.145212805 0.150165409 0.157048098 0.161331629 0.170663432 0.173861140 0.176112179 0.177887902 0.185157662 0.197305120 0.204155988 0.210794965 0.213898022 0.222312141 0.230707090 0.236647026 0.249834999 0.274680213 0.300204330 0.302997380 0.319291270 0.356185029 0.366946315 0.416250071 0.464394720 0.489425566 0.527567322 0.548460693 0.609237014 0.612420469 0.660841695 0.711081905 0.734566665 0.741199744 0.754386834 0.764966018 0.775551790 0.777341708 0.784936431 0.786418753 0.795323740 0.811787086 0.818591267 0.841224553 0.848481205 0.855614734 0.859384241 0.879204603 0.894467703 0.914410761 0.917797295 0.920013201 0.921934614 0.974976916 0.986453783 1.020237330 1.030865380 1.089281351 1.436880835 1.528072869</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">53</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.77197495" y3="-3.78985294" z3="11.06577652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81918585" y3="-4.1138072" z3="11.20913419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.41634408" y3="-3.37638886" z3="12.02830417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17462145" y3="-4.70021354" z3="10.85157407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.64589666" y3="-2.75812229" z3="9.9471987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.59525689" y3="-2.43067342" z3="9.84949928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.23057571" y3="-1.85317095" z3="10.16336432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10214436" y3="-3.30051071" z3="8.59255961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1087288" y3="-3.75160289" z3="8.6914734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40212733" y3="-4.08238336" z3="8.23603908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08201007" y3="-1.74720568" z3="7.12188413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.23026374" y3="0.15252272" z3="5.68814148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2477747" y3="-0.2568271" z3="5.98667648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.17554296" y3="1.24689552" z3="5.88163785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42311117" y3="-0.02581397" z3="4.1708335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.63376777" y3="0.53650896" z3="3.63131739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38224023" y3="0.44502855" z3="3.87926831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.43904947" y3="-1.47958354" z3="3.68711404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58762833" y3="-1.48554221" z3="2.58736244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3162262" y3="-1.9859593" z3="4.12877465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.18983128" y3="-2.2981433" z3="4.03363982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.30856517" y3="-3.31131144" z3="3.60368218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.14181875" y3="-2.43059608" z3="5.12918908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11685039" y3="-1.69209576" z3="3.52357908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33989547" y3="-0.734591" z3="4.02642048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.97047797" y3="-2.36772914" z3="3.71321876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07652257" y3="-1.49558292" z3="2.43444282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00848593" y3="-2.33910432" z3="7.2963895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28774825" y3="-0.47063655" z3="6.55431552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.33141796" y3="-0.21122837" z3="6.3457906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24240921" y3="-2.29340978" z3="7.62469476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.72209714" y3="0.37471766" z3="10.90719817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.84178503" y3="0.62237033" z3="11.98227927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.542584" y3="0.87182943" z3="10.35208884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.86090834" y3="-0.71850261" z3="10.79367809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.64638041" y3="0.79463258" z3="10.37432841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.44545147" y3="0.29573623" z3="10.95006337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.79046055" y3="1.88217765" z3="10.52812208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.85105145" y3="0.43971394" z3="8.90160195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60101621" y3="-0.62622672" z3="8.75091332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15348908" y3="1.0128233" z3="8.26277459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2964053" y3="0.70503369" z3="8.45769248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.24531975" y3="0.38959002" z3="9.17940692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.39516121" y3="1.5866227" z3="7.76892912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.772,-3.7899,11.0658;-3.8192,-4.1138,11.2091;-2.4163,-3.3764,12.0283;-2.1746,-4.7002,10.8516;-2.6459,-2.7581,9.9472;-1.5953,-2.4307,9.8495;-3.2306,-1.8532,10.1634;-3.1021,-3.3005,8.5926;-4.1087,-3.7516,8.6915;-2.4021,-4.0824,8.236;-2.082,-1.7472,7.1219;-1.2303,.1525,5.6881;-.2478,-.2568,5.9867;-1.1755,1.2469,5.8816;-1.4231,-.0258,4.1708;-.6338,.5365,3.6313;-2.3822,.445,3.8793;-1.439,-1.4796,3.6871;-1.5876,-1.4855,2.5874;-2.3162,-1.986,4.1288;-.1898,-2.2981,4.0336;-.3086,-3.3113,3.6037;-.1418,-2.4306,5.1292;1.1169,-1.6921,3.5236;1.3399,-.7346,4.0264;1.9705,-2.3677,3.7132;1.0765,-1.4956,2.4344;-1.0085,-2.3391,7.2964;-2.2877,-.4706,6.5543;-3.3314,-.2112,6.3458;-3.2424,-2.2934,7.6247;.7221,.3747,10.9072;.8418,.6224,11.9823;1.5426,.8718,10.3521;.8609,-.7185,10.7937;-.6464,.7946,10.3743;-1.4455,.2957,10.9501;-.7905,1.8822,10.5281;-.8511,.4397,8.9016;-.601,-.6262,8.7509;-.1535,1.0128,8.2628;-2.2964,.705,8.4577;-3.2453,.3896,9.1794;-2.3952,1.5866,7.7689;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605550684389</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005353224987 0.001225649886 0.027498135659 0.008704044611</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036174134 -0.003965985 0.000212187 0.000493440 0.000595620 0.000716104 0.001374904 0.001428400 0.001863783 0.001990292 0.003286569 0.004166550 0.004986542 0.005316176 0.005963329 0.006443320 0.009224198 0.009840338 0.011292602 0.012155921 0.014642601 0.016972857 0.019630281 0.021453033 0.024578535 0.026456357 0.028207665 0.029708215 0.031837964 0.032954259 0.037409869 0.039686218 0.040755895 0.041664047 0.046292378 0.049704962 0.050155540 0.050788089 0.051491626 0.052402271 0.055985248 0.056876240 0.057574646 0.059357051 0.061602548 0.065337260 0.073585766 0.075223169 0.076997513 0.078241880 0.079089280 0.080768655 0.082499946 0.087381668 0.088337307 0.089884198 0.102662856 0.107173888 0.108373236 0.112161766 0.113935280 0.114890702 0.126755054 0.132669212 0.134970123 0.138822807 0.145223984 0.150506536 0.157047161 0.161389778 0.170681400 0.173904116 0.176301798 0.177904349 0.186404019 0.197361701 0.204168696 0.211093910 0.213901603 0.222317360 0.230889210 0.238782237 0.250178162 0.274848185 0.300452314 0.303057274 0.319427121 0.356209381 0.367832252 0.416264394 0.464509265 0.489425339 0.528293117 0.548472903 0.609275034 0.612436284 0.661073718 0.713475518 0.734685868 0.741202103 0.754437420 0.764970431 0.775904433 0.777628384 0.784950867 0.786426589 0.795327054 0.812212966 0.818592483 0.841225784 0.848489930 0.855629750 0.859392878 0.879208821 0.894468958 0.917441089 0.918142805 0.920032782 0.922099869 0.974977169 0.987001321 1.020954569 1.030966461 1.089309794 1.436885163 1.528088046</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">54</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78197362" y3="-3.80369108" z3="11.06011314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8291389" y3="-4.14115917" z3="11.18975324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.44384221" y3="-3.39345971" z3="12.02699094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.16916439" y3="-4.69680797" z3="10.84556862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.66315725" y3="-2.76454786" z3="9.94998431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.61950725" y3="-2.42231049" z3="9.86451682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.25760138" y3="-1.85559671" z3="10.16353258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1012525" y3="-3.30107115" z3="8.59119383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10250025" y3="-3.76116468" z3="8.6781201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39139802" y3="-4.07136492" z3="8.24058187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08285283" y3="-1.74384123" z3="7.12263845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.23395683" y3="0.15485867" z3="5.68703217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.25069411" y3="-0.25166349" z3="5.98665488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.18155005" y3="1.24992993" z3="5.87704051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42772198" y3="-0.02984839" z3="4.17074628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.64135954" y3="0.53337054" z3="3.62814076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38904462" y3="0.43601686" z3="3.87883602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.43858112" y3="-1.48553329" z3="3.69271843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58851439" y3="-1.49623013" z3="2.59322065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.31311279" y3="-1.99368752" z3="4.13731247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.1858292" y3="-2.29778186" z3="4.04089253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.30013088" y3="-3.31235452" z3="3.61319859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.1372641" y3="-2.42755014" z3="5.13673881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11788014" y3="-1.6869782" z3="3.52941606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33637672" y3="-0.72736026" z3="4.03015484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.97460992" y3="-2.35809931" z3="3.72059547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07659476" y3="-1.4931152" z3="2.43985128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00878616" y3="-2.33641447" z3="7.29438796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28946179" y3="-0.46785489" z3="6.55509235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.33361162" y3="-0.20826847" z3="6.34947299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24411751" y3="-2.2885369" z3="7.63074632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.7340844" y3="0.37654363" z3="10.89989748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.86399699" y3="0.64337196" z3="11.96029241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.54537804" y3="0.85989872" z3="10.33021311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.87599622" y3="-0.71223462" z3="10.80304345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.63658219" y3="0.79471751" z3="10.37464452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.43391234" y3="0.29691191" z3="10.95354725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.77810941" y3="1.88342757" z3="10.52848752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.84623115" y3="0.44150776" z3="8.89963026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59827335" y3="-0.62593564" z3="8.74458456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14942273" y3="1.01683278" z3="8.25887589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29254352" y3="0.70977104" z3="8.46018228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.24056587" y3="0.39621275" z3="9.18404999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.39151313" y3="1.59047796" z3="7.76968085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" 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:-2.782,-3.8037,11.0601;-3.8291,-4.1412,11.1898;-2.4438,-3.3935,12.027;-2.1692,-4.6968,10.8456;-2.6632,-2.7645,9.95;-1.6195,-2.4223,9.8645;-3.2576,-1.8556,10.1635;-3.1013,-3.3011,8.5912;-4.1025,-3.7612,8.6781;-2.3914,-4.0714,8.2406;-2.0829,-1.7438,7.1226;-1.234,.1549,5.687;-.2507,-.2517,5.9867;-1.1816,1.2499,5.877;-1.4277,-.0298,4.1707;-.6414,.5334,3.6281;-2.389,.436,3.8788;-1.4386,-1.4855,3.6927;-1.5885,-1.4962,2.5932;-2.3131,-1.9937,4.1373;-.1858,-2.2978,4.0409;-.3001,-3.3124,3.6132;-.1373,-2.4276,5.1367;1.1179,-1.687,3.5294;1.3364,-.7274,4.0302;1.9746,-2.3581,3.7206;1.0766,-1.4931,2.4399;-1.0088,-2.3364,7.2944;-2.2895,-.4679,6.5551;-3.3336,-.2083,6.3495;-3.2441,-2.2885,7.6307;.7341,.3765,10.8999;.864,.6434,11.9603;1.5454,.8599,10.3302;.876,-.7122,10.803;-.6366,.7947,10.3746;-1.4339,.2969,10.9535;-.7781,1.8834,10.5285;-.8462,.4415,8.8996;-.5983,-.6259,8.7446;-.1494,1.0168,8.2589;-2.2925,.7098,8.4602;-3.2406,.3962,9.184;-2.3915,1.5905,7.7697;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605560699945</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005812107435 0.001288336886 0.029875700338 0.008705019916</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036255389 -0.003479149 0.000242039 0.000524413 0.000595913 0.000721082 0.001376598 0.001429248 0.001865582 0.002137907 0.003307653 0.004282139 0.005271452 0.005907642 0.006256153 0.006705302 0.009234917 0.009849887 0.011339758 0.012183657 0.014641698 0.017091666 0.019646169 0.021481250 0.024590783 0.026623808 0.028354805 0.029801568 0.031840793 0.033559570 0.037530399 0.039711022 0.040755623 0.041680561 0.046292326 0.049727376 0.050271697 0.050838522 0.051520590 0.052461777 0.055986083 0.056876744 0.057589076 0.059518324 0.061762909 0.065388109 0.073586212 0.075223906 0.077030180 0.078269755 0.079112140 0.080789626 0.082487654 0.087390515 0.088353165 0.089892085 0.102664069 0.107238585 0.108373043 0.112188132 0.113934510 0.114889948 0.126865515 0.132702568 0.135047468 0.138824298 0.145230603 0.150982114 0.157134208 0.161543017 0.170693561 0.173923812 0.176638428 0.177923024 0.187359348 0.197573590 0.204261056 0.211565323 0.213999090 0.222321833 0.230929631 0.239978136 0.250407067 0.274985380 0.300561375 0.303131067 0.319699943 0.356308468 0.370132251 0.416267294 0.464554766 0.489433718 0.531213297 0.548481627 0.609297127 0.612439415 0.661174648 0.715024925 0.734764032 0.741202722 0.754474796 0.764971948 0.776473320 0.778424517 0.784998875 0.786445199 0.795328187 0.813122377 0.818592473 0.841352335 0.848520151 0.855654494 0.859423586 0.879411947 0.894475816 0.917730550 0.919953846 0.920633937 0.923080910 0.975002389 0.987149617 1.021317041 1.031595986 1.089362986 1.436897367 1.528112835</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">55</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78976121" y3="-3.81882562" z3="11.05351439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83236844" y3="-4.17103487" z3="11.17148803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.46130457" y3="-3.41574581" z3="12.02814593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.16365233" y3="-4.70456212" z3="10.83331317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.68030151" y3="-2.76736639" z3="9.9546833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.63833125" y3="-2.41374273" z3="9.87521196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.28656881" y3="-1.87534879" z3="10.17748622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1087689" y3="-3.30033503" z3="8.58779213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10866701" y3="-3.76660336" z3="8.66495093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39148363" y3="-4.06578205" z3="8.23713687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08572225" y3="-1.74008222" z3="7.12519595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.23617402" y3="0.15736078" z3="5.68666918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.25179978" y3="-0.24628723" z3="5.98642988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.18534639" y3="1.25321779" z3="5.87253501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.4310451" y3="-0.03347461" z3="4.17118889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.6469395" y3="0.5300603" z3="3.62550838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.39409129" y3="0.42838251" z3="3.87857597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.43791667" y3="-1.49099469" z3="3.69851301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58888762" y3="-1.50613908" z3="2.59920815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.31052279" y3="-2.00021285" z3="4.14577764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.18228577" y3="-2.29815078" z3="4.04846385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.29311506" y3="-3.31418947" z3="3.62325572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.13355749" y3="-2.42509533" z3="5.14462622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11933051" y3="-1.68403628" z3="3.53552906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33407973" y3="-0.72215419" z3="4.03359781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.97848687" y3="-2.35144864" z3="3.72891306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07766165" y3="-1.49340269" z3="2.44540974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01294763" y3="-2.33520427" z3="7.29529189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.29035646" y3="-0.46303859" z3="6.55841123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.33446714" y3="-0.20249033" z3="6.35381638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24791746" y3="-2.28194806" z3="7.63327891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.74743957" y3="0.38850299" z3="10.89001008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.87606098" y3="0.64278374" z3="11.96434203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.56652491" y3="0.87929038" z3="10.32493508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.88213817" y3="-0.70661249" z3="10.78525496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.62488791" y3="0.80659395" z3="10.36523714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.41810454" y3="0.31141847" z3="10.95060194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76823811" y3="1.8941845" z3="10.51474502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.84100296" y3="0.44344055" z3="8.897383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59553042" y3="-0.62334274" z3="8.75235731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14695362" y3="1.00937705" z3="8.2500717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28830736" y3="0.71143832" z3="8.4617252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.23394918" y3="0.39730165" z3="9.1882172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.38881" y3="1.59368564" z3="7.77357334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7898,-3.8188,11.0535;-3.8324,-4.171,11.1715;-2.4613,-3.4157,12.0281;-2.1637,-4.7046,10.8333;-2.6803,-2.7674,9.9547;-1.6383,-2.4137,9.8752;-3.2866,-1.8753,10.1775;-3.1088,-3.3003,8.5878;-4.1087,-3.7666,8.665;-2.3915,-4.0658,8.2371;-2.0857,-1.7401,7.1252;-1.2362,.1574,5.6867;-.2518,-.2463,5.9864;-1.1853,1.2532,5.8725;-1.431,-.0335,4.1712;-.6469,.5301,3.6255;-2.3941,.4284,3.8786;-1.4379,-1.491,3.6985;-1.5889,-1.5061,2.5992;-2.3105,-2.0002,4.1458;-.1823,-2.2982,4.0485;-.2931,-3.3142,3.6233;-.1336,-2.4251,5.1446;1.1193,-1.684,3.5355;1.3341,-.7222,4.0336;1.9785,-2.3514,3.7289;1.0777,-1.4934,2.4454;-1.0129,-2.3352,7.2953;-2.2904,-.463,6.5584;-3.3345,-.2025,6.3538;-3.2479,-2.2819,7.6333;.7474,.3885,10.89;.8761,.6428,11.9643;1.5665,.8793,10.3249;.8821,-.7066,10.7853;-.6249,.8066,10.3652;-1.4181,.3114,10.9506;-.7682,1.8942,10.5147;-.841,.4434,8.8974;-.5955,-.6233,8.7524;-.147,1.0094,8.2501;-2.2883,.7114,8.4617;-3.2339,.3973,9.1882;-2.3888,1.5937,7.7736;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605595765311</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006242106474 0.000963371851 0.035690387259 0.008704217917</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036289923 -0.002531731 0.000261744 0.000496624 0.000597491 0.000719693 0.001384100 0.001429556 0.001866236 0.002305484 0.003327006 0.004414170 0.005276462 0.005920283 0.006362574 0.007848439 0.009353988 0.009865181 0.011330664 0.012195721 0.014659721 0.017104327 0.019649518 0.021485461 0.024598768 0.026823981 0.028471719 0.029802574 0.031848464 0.034676166 0.037767411 0.039744768 0.040763254 0.041699128 0.046292352 0.049727190 0.050262238 0.050861168 0.051522681 0.052480677 0.055986173 0.056883481 0.057594903 0.059505538 0.061746676 0.065410253 0.073588047 0.075223750 0.077080962 0.078294705 0.079116344 0.080873748 0.082609437 0.087391121 0.088368939 0.089921673 0.102666410 0.107350295 0.108373884 0.112236584 0.113939612 0.114896817 0.126883104 0.132802239 0.135054108 0.138825790 0.145229921 0.151179163 0.157405955 0.161671064 0.170700041 0.173930195 0.176800823 0.177934347 0.187472283 0.197741109 0.204379676 0.211995022 0.214208221 0.222507235 0.230945645 0.240120362 0.250641336 0.274996606 0.300627774 0.303207083 0.319798530 0.356364863 0.373464726 0.416316033 0.464574539 0.489448367 0.535861954 0.548487339 0.609308161 0.612450794 0.661183908 0.715036754 0.734764318 0.741204427 0.754486552 0.764972046 0.776867141 0.779077399 0.785053748 0.786449534 0.795328832 0.814391327 0.818594404 0.841550111 0.848527877 0.855669258 0.859437266 0.879762587 0.894476130 0.917731662 0.919966599 0.920790086 0.923413923 0.975016185 0.987149600 1.021324504 1.031770070 1.089525059 1.436915402 1.528123571</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">56</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79775346" y3="-3.83739153" z3="11.0450534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83520787" y3="-4.20672526" z3="11.16231155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.47846415" y3="-3.43218654" z3="12.02278697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.15961129" y3="-4.71462931" z3="10.81984832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.69331529" y3="-2.77675513" z3="9.9514291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.65522177" y3="-2.40976004" z3="9.8748234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.30948983" y3="-1.89246419" z3="10.18164572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1125348" y3="-3.30302688" z3="8.5802576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11091291" y3="-3.77534418" z3="8.65078135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.38920576" y3="-4.06164903" z3="8.22533617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08980447" y3="-1.7355304" z3="7.12817853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.23724337" y3="0.15995742" z3="5.68920602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.25307635" y3="-0.24343808" z3="5.99016815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.18580499" y3="1.25616799" z3="5.87197011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.43130567" y3="-0.03463887" z3="4.17392269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.6464145" y3="0.52714393" z3="3.62746396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.39378404" y3="0.42703854" z3="3.87926762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.43835831" y3="-1.49300116" z3="3.70418374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58850237" y3="-1.51036057" z3="2.60480291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.31150164" y3="-2.00099661" z3="4.15179668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.18333168" y3="-2.29984521" z3="4.05652696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.29432385" y3="-3.31670168" z3="3.6335605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.13543494" y3="-2.42440989" z3="5.15294673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11895409" y3="-1.68761705" z3="3.54316659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33334693" y3="-0.72434028" z3="4.03848283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.97761884" y3="-2.3546228" z3="3.73971488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07877599" y3="-1.50038326" z3="2.45238294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01772379" y3="-2.32985119" z3="7.30201634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.29230379" y3="-0.45715618" z3="6.56294299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.33588989" y3="-0.19549688" z3="6.35634433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25186666" y3="-2.28073137" z3="7.62878801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.7595161" y3="0.40114009" z3="10.88488987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.89748735" y3="0.67584349" z3="11.94360764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.56666514" y3="0.88149559" z3="10.30522275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.9002865" y3="-0.68977293" z3="10.79411577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.61566394" y3="0.81420398" z3="10.36575463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.40956598" y3="0.320608" z3="10.95387765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75684084" y3="1.90388134" z3="10.51087215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83609644" y3="0.44775405" z3="8.89625926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59250748" y3="-0.62161133" z3="8.7504126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14161657" y3="1.01513516" z3="8.24650859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28486377" y3="0.71387032" z3="8.46431057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22680796" y3="0.39712523" z3="9.19456587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.3886623" y3="1.59846005" z3="7.77986841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7978,-3.8374,11.0451;-3.8352,-4.2067,11.1623;-2.4785,-3.4322,12.0228;-2.1596,-4.7146,10.8198;-2.6933,-2.7768,9.9514;-1.6552,-2.4098,9.8748;-3.3095,-1.8925,10.1816;-3.1125,-3.303,8.5803;-4.1109,-3.7753,8.6508;-2.3892,-4.0616,8.2253;-2.0898,-1.7355,7.1282;-1.2372,.16,5.6892;-.2531,-.2434,5.9902;-1.1858,1.2562,5.872;-1.4313,-.0346,4.1739;-.6464,.5271,3.6275;-2.3938,.427,3.8793;-1.4384,-1.493,3.7042;-1.5885,-1.5104,2.6048;-2.3115,-2.001,4.1518;-.1833,-2.2998,4.0565;-.2943,-3.3167,3.6336;-.1354,-2.4244,5.1529;1.119,-1.6876,3.5432;1.3333,-.7243,4.0385;1.9776,-2.3546,3.7397;1.0788,-1.5004,2.4524;-1.0177,-2.3299,7.302;-2.2923,-.4572,6.5629;-3.3359,-.1955,6.3563;-3.2519,-2.2807,7.6288;.7595,.4011,10.8849;.8975,.6758,11.9436;1.5667,.8815,10.3052;.9003,-.6898,10.7941;-.6157,.8142,10.3658;-1.4096,.3206,10.9539;-.7568,1.9039,10.5109;-.8361,.4478,8.8963;-.5925,-.6216,8.7504;-.1416,1.0151,8.2465;-2.2849,.7139,8.4643;-3.2268,.3971,9.1946;-2.3887,1.5985,7.7799;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605628128093</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005041990682 0.000791249607 0.034940639960 0.008704600467</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036290209 -0.001853897 0.000270990 0.000552106 0.000602619 0.000736572 0.001385537 0.001431058 0.001866842 0.002340016 0.003337397 0.004492224 0.005282216 0.005923887 0.006371498 0.008422652 0.009589374 0.009892423 0.011406519 0.012285107 0.014680164 0.017252673 0.019648494 0.021488183 0.024602094 0.026903608 0.028503551 0.029815612 0.031854229 0.035508152 0.038009468 0.039771572 0.040786828 0.041717787 0.046292527 0.049728849 0.050311066 0.050863989 0.051527328 0.052480152 0.055985890 0.056893843 0.057593586 0.059576923 0.061880973 0.065410823 0.073588737 0.075224804 0.077125283 0.078292456 0.079117682 0.080957723 0.082808077 0.087394812 0.088378732 0.090171862 0.102672970 0.107458982 0.108380116 0.112264803 0.113953366 0.114915078 0.127226988 0.132968087 0.135082527 0.138826657 0.145231777 0.151215320 0.157626630 0.161762427 0.170700071 0.173941402 0.176877473 0.177935639 0.187573880 0.197818942 0.204457643 0.212072753 0.214405127 0.222655353 0.230951379 0.240193765 0.250676758 0.275072574 0.300972603 0.303209312 0.319805715 0.356371652 0.374964951 0.416364921 0.464760902 0.489451107 0.539352338 0.548497030 0.609308962 0.612452196 0.661205983 0.715486059 0.734809954 0.741207177 0.754491028 0.764975051 0.777245135 0.779191135 0.785057426 0.786463640 0.795328831 0.815255246 0.818596902 0.841550968 0.848530485 0.855678935 0.859438604 0.880143725 0.894484521 0.917732218 0.919999972 0.920798250 0.923417139 0.975026032 0.987252229 1.021396897 1.031891667 1.089590214 1.436916972 1.528223941</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">57</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79638319" y3="-3.85969406" z3="11.03143687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83109196" y3="-4.23862799" z3="11.13840413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.48384998" y3="-3.46712718" z3="12.01437502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.14877452" y3="-4.72407599" z3="10.79824674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7041957" y3="-2.78634331" z3="9.95185406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.67055843" y3="-2.41123629" z3="9.88093216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.32571158" y3="-1.90436122" z3="10.18828017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11791811" y3="-3.30130261" z3="8.57633718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11467815" y3="-3.77542101" z3="8.63937095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39271014" y3="-4.05523796" z3="8.22099475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09085986" y3="-1.73026596" z3="7.13044057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.23555933" y3="0.16268641" z3="5.69094327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.25224376" y3="-0.24164055" z3="5.9931091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1829893" y3="1.25908728" z3="5.87225298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42913658" y3="-0.03448384" z3="4.17605598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.64250518" y3="0.52422766" z3="3.62921349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.39020999" y3="0.42899644" z3="3.87995199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.43977155" y3="-1.49378425" z3="3.7089768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58870775" y3="-1.51250998" z3="2.60948684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.31490004" y3="-1.99845942" z3="4.15629714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.18778088" y3="-2.30400271" z3="4.06414264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.30198293" y3="-3.32147377" z3="3.64346931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.14102099" y3="-2.42613237" z3="5.16085349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11689528" y3="-1.69759354" z3="3.55031819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33367434" y3="-0.7333288" z3="4.0426749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.97314508" y3="-2.3666046" z3="3.7502943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07874172" y3="-1.51400325" z3="2.4588928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01984496" y3="-2.32770814" z3="7.30305559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.29138088" y3="-0.45217761" z3="6.56446388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3346938" y3="-0.18983297" z3="6.3578022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25522079" y3="-2.27081507" z3="7.63467423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.76799239" y3="0.41965373" z3="10.87931253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.90412245" y3="0.68656437" z3="11.94726999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.57774918" y3="0.90865522" z3="10.30269168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.90977101" y3="-0.67378649" z3="10.78404798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.60940484" y3="0.82738632" z3="10.36131151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.39762458" y3="0.33465466" z3="10.95536538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75408798" y3="1.91668757" z3="10.50322037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83368515" y3="0.45329365" z3="8.89581131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58970592" y3="-0.61587999" z3="8.75516524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14310603" y3="1.01690375" z3="8.24096258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2838406" y3="0.71739075" z3="8.46757017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22457525" y3="0.39830508" z3="9.19884041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.38974253" y3="1.60280535" z3="7.78320199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7964,-3.8597,11.0314;-3.8311,-4.2386,11.1384;-2.4838,-3.4671,12.0144;-2.1488,-4.7241,10.7982;-2.7042,-2.7863,9.9519;-1.6706,-2.4112,9.8809;-3.3257,-1.9044,10.1883;-3.1179,-3.3013,8.5763;-4.1147,-3.7754,8.6394;-2.3927,-4.0552,8.221;-2.0909,-1.7303,7.1304;-1.2356,.1627,5.6909;-.2522,-.2416,5.9931;-1.183,1.2591,5.8723;-1.4291,-.0345,4.1761;-.6425,.5242,3.6292;-2.3902,.429,3.88;-1.4398,-1.4938,3.709;-1.5887,-1.5125,2.6095;-2.3149,-1.9985,4.1563;-.1878,-2.304,4.0641;-.302,-3.3215,3.6435;-.141,-2.4261,5.1609;1.1169,-1.6976,3.5503;1.3337,-.7333,4.0427;1.9731,-2.3666,3.7503;1.0787,-1.514,2.4589;-1.0198,-2.3277,7.3031;-2.2914,-.4522,6.5645;-3.3347,-.1898,6.3578;-3.2552,-2.2708,7.6347;.768,.4197,10.8793;.9041,.6866,11.9473;1.5777,.9087,10.3027;.9098,-.6738,10.784;-.6094,.8274,10.3613;-1.3976,.3347,10.9554;-.7541,1.9167,10.5032;-.8337,.4533,8.8958;-.5897,-.6159,8.7552;-.1431,1.0169,8.241;-2.2838,.7174,8.4676;-3.2246,.3983,9.1988;-2.3897,1.6028,7.7832;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605667764723</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003347550394 0.000717665432 0.033514641812 0.008702743242</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036290690 -0.001135879 0.000278573 0.000537737 0.000611028 0.000761639 0.001395893 0.001435914 0.001906230 0.002344025 0.003339434 0.004572745 0.005287408 0.005930801 0.006403459 0.008650318 0.009670224 0.009897450 0.011463746 0.012307152 0.014688632 0.017453521 0.019648976 0.021499958 0.024601363 0.026914447 0.028501230 0.029824761 0.031854120 0.035858526 0.038059778 0.039766354 0.040793435 0.041741885 0.046292704 0.049734183 0.050373708 0.050864191 0.051538487 0.052500329 0.055987831 0.056892049 0.057602477 0.059670752 0.062020034 0.065453058 0.073590565 0.075225733 0.077144594 0.078294293 0.079120454 0.080949488 0.082793851 0.087400524 0.088377123 0.090183670 0.102677242 0.107530090 0.108386760 0.112277040 0.113955484 0.114925859 0.127343362 0.133074548 0.135158493 0.138827116 0.145232519 0.151215633 0.157767421 0.161779118 0.170700216 0.173971366 0.176880789 0.177936055 0.187945821 0.197818894 0.204485508 0.212142439 0.214428380 0.222748645 0.230976675 0.240543210 0.250804258 0.275110661 0.301174745 0.303215001 0.319813646 0.356372401 0.375731430 0.416377888 0.464799703 0.489453987 0.540854651 0.548510009 0.609325147 0.612452874 0.661233837 0.716194756 0.734863718 0.741211797 0.754496577 0.764975783 0.777555590 0.779216423 0.785089917 0.786515238 0.795328781 0.815897721 0.818600386 0.841568718 0.848535944 0.855685955 0.859440361 0.880218956 0.894486005 0.917741057 0.920098446 0.921012473 0.924113597 0.975031082 0.987350791 1.021540135 1.032050380 1.089596446 1.436922781 1.528266547</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">58</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79369351" y3="-3.87879686" z3="11.01994746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82514298" y3="-4.26627214" z3="11.12415077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.48124367" y3="-3.49394708" z3="12.00738416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.14064122" y3="-4.74095561" z3="10.776451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.71053932" y3="-2.79305879" z3="9.95102342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.67730184" y3="-2.41242182" z3="9.87871963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.3375913" y3="-1.92456431" z3="10.20116458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12726154" y3="-3.30018335" z3="8.57044707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12569817" y3="-3.77355852" z3="8.63026948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40238492" y3="-4.05387415" z3="8.20911386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09575571" y3="-1.72591931" z3="7.13255332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.23350981" y3="0.16516257" z3="5.6943481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.25131746" y3="-0.2411261" z3="5.99781137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.17856555" y3="1.26158643" z3="5.87469829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.42518213" y3="-0.03263395" z3="4.17904384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.63547714" y3="0.52308027" z3="3.63312892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38422124" y3="0.43399045" z3="3.8805256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.43995424" y3="-1.49226527" z3="3.71274231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.587035" y3="-1.51101557" z3="2.61293582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.31789981" y3="-1.99362456" z3="4.15873177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.19140856" y3="-2.30709569" z3="4.07052991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.30940677" y3="-3.32488072" z3="3.65142828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.14647027" y3="-2.42772485" z3="5.1675267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11670036" y3="-1.70707052" z3="3.55711709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33675062" y3="-0.74242162" z3="4.04739213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.97002705" y3="-2.37917875" z3="3.76015115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08107162" y3="-1.52600643" z3="2.46511809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02639229" y3="-2.32571321" z3="7.30527898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.29208177" y3="-0.44608602" z3="6.56803698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.33446608" y3="-0.18166458" z3="6.35871598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26118819" y3="-2.26456992" z3="7.63349412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.77526619" y3="0.43772524" z3="10.87493221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.91646661" y3="0.72007901" z3="11.93243619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58011496" y3="0.91664108" z3="10.28867555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.91892563" y3="-0.65415785" z3="10.79312237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.60446828" y3="0.84063589" z3="10.3586436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.39234099" y3="0.35177401" z3="10.95743406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74967089" y3="1.93031069" z3="10.49133929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83283957" y3="0.45532524" z3="8.89738755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59161305" y3="-0.61466836" z3="8.76627803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.1424033" y3="1.01189083" z3="8.2371979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28388828" y3="0.71716035" z3="8.47048787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22188318" y3="0.39404883" z3="9.2034945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.39274676" y3="1.60543233" z3="7.79096357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7937,-3.8788,11.0199;-3.8251,-4.2663,11.1242;-2.4812,-3.4939,12.0074;-2.1406,-4.741,10.7765;-2.7105,-2.7931,9.951;-1.6773,-2.4124,9.8787;-3.3376,-1.9246,10.2012;-3.1273,-3.3002,8.5704;-4.1257,-3.7736,8.6303;-2.4024,-4.0539,8.2091;-2.0958,-1.7259,7.1326;-1.2335,.1652,5.6943;-.2513,-.2411,5.9978;-1.1786,1.2616,5.8747;-1.4252,-.0326,4.179;-.6355,.5231,3.6331;-2.3842,.434,3.8805;-1.44,-1.4923,3.7127;-1.587,-1.511,2.6129;-2.3179,-1.9936,4.1587;-.1914,-2.3071,4.0705;-.3094,-3.3249,3.6514;-.1465,-2.4277,5.1675;1.1167,-1.7071,3.5571;1.3368,-.7424,4.0474;1.97,-2.3792,3.7602;1.0811,-1.526,2.4651;-1.0264,-2.3257,7.3053;-2.2921,-.4461,6.568;-3.3345,-.1817,6.3587;-3.2612,-2.2646,7.6335;.7753,.4377,10.8749;.9165,.7201,11.9324;1.5801,.9166,10.2887;.9189,-.6542,10.7931;-.6045,.8406,10.3586;-1.3923,.3518,10.9574;-.7497,1.9303,10.4913;-.8328,.4553,8.8974;-.5916,-.6147,8.7663;-.1424,1.0119,8.2372;-2.2839,.7172,8.4705;-3.2219,.394,9.2035;-2.3927,1.6054,7.791;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605690777031</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003909779886 0.000735487843 0.032268638584 0.008704708109</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036362753 -0.001575863 0.000266517 0.000544757 0.000611919 0.000932757 0.001396543 0.001477668 0.002012516 0.002752941 0.003353603 0.004586905 0.005287611 0.005956956 0.006491946 0.008911633 0.009700191 0.009897682 0.011457939 0.012309063 0.014688191 0.017469151 0.019646231 0.021513713 0.024600872 0.026914991 0.028500997 0.029825881 0.031854204 0.036021556 0.038070761 0.039764593 0.040801128 0.041782739 0.046293031 0.049736813 0.050417382 0.050872114 0.051547670 0.052515886 0.055988802 0.056889575 0.057618934 0.059683904 0.062069305 0.065655171 0.073590591 0.075225865 0.077148666 0.078295430 0.079123154 0.080950714 0.082818747 0.087400859 0.088376677 0.090192431 0.102680283 0.107597916 0.108390800 0.112276107 0.113955649 0.114926327 0.127337977 0.133179044 0.135162284 0.138827607 0.145241728 0.151221623 0.157821861 0.161785605 0.170706412 0.173996582 0.176881718 0.177939377 0.188633378 0.197838824 0.204486988 0.212181875 0.214433170 0.222762845 0.230986589 0.240892997 0.251087571 0.275141436 0.301383817 0.303217722 0.319812844 0.356371167 0.376005397 0.416384555 0.464801158 0.489459937 0.541254481 0.548516963 0.609455509 0.612460061 0.661265303 0.716660288 0.734903025 0.741228521 0.754511910 0.764977177 0.777815221 0.779360947 0.785170805 0.786598353 0.795328801 0.816652867 0.818602056 0.841824453 0.848561833 0.855688586 0.859448453 0.880221287 0.894486287 0.917744648 0.920134972 0.921224525 0.925228585 0.975032040 0.987355086 1.021585292 1.032121832 1.089639344 1.436929318 1.528267097</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">59</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79461808" y3="-3.89699028" z3="11.00938618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82225265" y3="-4.29545372" z3="11.11832869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.48406941" y3="-3.5108178" z3="11.99721818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.13446606" y3="-4.74669133" z3="10.75815658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.71743076" y3="-2.80652441" z3="9.94398652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.68896895" y3="-2.41755028" z3="9.87269585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.3479688" y3="-1.93552452" z3="10.1981923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12906546" y3="-3.30493882" z3="8.56328292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12697024" y3="-3.77784891" z3="8.61799372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.4040884" y3="-4.05656334" z3="8.20050496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09509851" y3="-1.72374117" z3="7.13527967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.2294979" y3="0.16638711" z3="5.69876958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.24882612" y3="-0.24248115" z3="6.00344922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.17233535" y3="1.26247895" z3="5.88031983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.41890056" y3="-0.02905767" z3="4.18290384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.6243454" y3="0.52204389" z3="3.63940179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37406173" y3="0.44400763" z3="3.88246294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44234955" y3="-1.48799227" z3="3.71526931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58697612" y3="-1.50472238" z3="2.61514588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.32470924" y3="-1.98363183" z3="4.15882268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20062918" y3="-2.31195023" z3="4.07513189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.32610192" y3="-3.32901774" z3="3.65672281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.15757507" y3="-2.43212177" z3="5.17217247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.1127023" y3="-1.7227192" z3="3.56283575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.33972318" y3="-0.75943524" z3="4.05235282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.96026064" y3="-2.40130562" z3="3.76781264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08014335" y3="-1.54261787" z3="2.47064391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.026047" y3="-2.32292035" z3="7.31165041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.29036042" y3="-0.44419497" z3="6.56989041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.33220088" y3="-0.179564" z3="6.35814971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26135217" y3="-2.2638839" z3="7.63216702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.78228331" y3="0.45880915" z3="10.87234999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.92250855" y3="0.734885" z3="11.93704454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58411908" y3="0.94890972" z3="10.28718497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.93137099" y3="-0.63420686" z3="10.78319258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.60039119" y3="0.85280905" z3="10.35959281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.3829257" y3="0.35965575" z3="10.96222975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74974069" y3="1.94351695" z3="10.49373787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83138124" y3="0.46516207" z3="8.89647145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58675929" y3="-0.60629354" z3="8.76174737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14506" y3="1.0271036" z3="8.23332459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28473897" y3="0.71906524" z3="8.47580745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21755225" y3="0.38844567" z3="9.21120738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.40165794" y3="1.60686873" z3="7.79738162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7946,-3.897,11.0094;-3.8223,-4.2955,11.1183;-2.4841,-3.5108,11.9972;-2.1345,-4.7467,10.7582;-2.7174,-2.8065,9.944;-1.689,-2.4176,9.8727;-3.348,-1.9355,10.1982;-3.1291,-3.3049,8.5633;-4.127,-3.7778,8.618;-2.4041,-4.0566,8.2005;-2.0951,-1.7237,7.1353;-1.2295,.1664,5.6988;-.2488,-.2425,6.0034;-1.1723,1.2625,5.8803;-1.4189,-.0291,4.1829;-.6243,.522,3.6394;-2.3741,.444,3.8825;-1.4423,-1.488,3.7153;-1.587,-1.5047,2.6151;-2.3247,-1.9836,4.1588;-.2006,-2.312,4.0751;-.3261,-3.329,3.6567;-.1576,-2.4321,5.1722;1.1127,-1.7227,3.5628;1.3397,-.7594,4.0524;1.9603,-2.4013,3.7678;1.0801,-1.5426,2.4706;-1.026,-2.3229,7.3117;-2.2904,-.4442,6.5699;-3.3322,-.1796,6.3581;-3.2614,-2.2639,7.6322;.7823,.4588,10.8723;.9225,.7349,11.937;1.5841,.9489,10.2872;.9314,-.6342,10.7832;-.6004,.8528,10.3596;-1.3829,.3597,10.9622;-.7497,1.9435,10.4937;-.8314,.4652,8.8965;-.5868,-.6063,8.7617;-.1451,1.0271,8.2333;-2.2847,.7191,8.4758;-3.2176,.3884,9.2112;-2.4017,1.6069,7.7974;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605701270972</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004885192140 0.000859943018 0.030947638476 0.008703101255</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036446472 -0.001631464 0.000296880 0.000545756 0.000619222 0.000939621 0.001396492 0.001508231 0.002076585 0.003073739 0.003462613 0.004590862 0.005289083 0.005978690 0.006586708 0.009223958 0.009713677 0.009919742 0.011547540 0.012507860 0.014688146 0.017493477 0.019652174 0.021521159 0.024603682 0.026926805 0.028500168 0.029827003 0.031854163 0.036067226 0.038281760 0.039770943 0.040809646 0.041877825 0.046294331 0.049741114 0.050465161 0.050881278 0.051557881 0.052538619 0.055991683 0.056896809 0.057630934 0.059680856 0.062073336 0.066058916 0.073593042 0.075226697 0.077147812 0.078298607 0.079123569 0.080981621 0.082984844 0.087402800 0.088379717 0.090552577 0.102680731 0.107669692 0.108391624 0.112282285 0.113962403 0.114926997 0.127521172 0.133288028 0.135172905 0.138828117 0.145253352 0.151232466 0.157829371 0.161784922 0.170717602 0.174034514 0.176897019 0.177943022 0.189258061 0.197993523 0.204498613 0.212334440 0.214435511 0.222766133 0.230981779 0.241121035 0.251678989 0.275152406 0.301463575 0.303240259 0.319813056 0.356380880 0.376345586 0.416388941 0.464878843 0.489547865 0.541287749 0.548540088 0.609910904 0.612461247 0.661272062 0.716797456 0.734919243 0.741234448 0.754523166 0.764977664 0.778035169 0.779600937 0.785317852 0.786703709 0.795329039 0.817700614 0.818607309 0.842206471 0.848589597 0.855714295 0.859461527 0.880249443 0.894486269 0.917746646 0.920176459 0.921348682 0.927058002 0.975042399 0.987363906 1.021587792 1.032292338 1.089877049 1.436945989 1.528379561</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">60</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78728589" y3="-3.91193313" z3="10.99584475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81423632" y3="-4.31239889" z3="11.09448839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.47774831" y3="-3.54176543" z3="11.98793553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.12507829" y3="-4.76218337" z3="10.73876798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.72040628" y3="-2.8097376" z3="9.94354291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.69068537" y3="-2.41998986" z3="9.87153003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.35286624" y3="-1.94772668" z3="10.20729267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13802325" y3="-3.30361469" z3="8.55867232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13813403" y3="-3.77473276" z3="8.61527568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.41599638" y3="-4.0567141" z3="8.19276375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09651525" y3="-1.7224388" z3="7.1363798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.22493331" y3="0.16778267" z3="5.70402878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.24569812" y3="-0.24396285" z3="6.00949065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1654624" y3="1.26347169" z3="5.8876399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.41240357" y3="-0.02478541" z3="4.18750509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.61350612" y3="0.52251385" z3="3.64648207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.36433716" y3="0.45407684" z3="3.88555538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44346899" y3="-1.48319929" z3="3.71796946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58570425" y3="-1.49760912" z3="2.61743435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.32999169" y3="-1.97400907" z3="4.15877262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20763144" y3="-2.31555867" z3="4.07958629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.33961606" y3="-3.33194439" z3="3.66113599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.1664323" y3="-2.43585969" z3="5.17673205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11048919" y3="-1.73555029" z3="3.56879108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34353209" y3="-0.77347149" z3="4.05821815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.95316587" y3="-2.41998935" z3="3.77539302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08063988" y3="-1.55587927" z3="2.47640805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02859443" y3="-2.32337675" z3="7.31496144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28867236" y3="-0.44215372" z3="6.57200055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32975358" y3="-0.17683216" z3="6.35762209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26578761" y3="-2.26141179" z3="7.62869242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.78738116" y3="0.4786226" z3="10.86799506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.9295241" y3="0.76414546" z3="11.92574991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.5843665" y3="0.96721636" z3="10.27773911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.94352052" y3="-0.61163373" z3="10.7869505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.5986909" y3="0.86455736" z3="10.35700339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.3772378" y3="0.37387619" z3="10.96542586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.7531584" y3="1.95351626" z3="10.48193848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83280726" y3="0.46511005" z3="8.90069081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58809223" y3="-0.60474758" z3="8.77732838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14939886" y3="1.01921829" z3="8.23173811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28714006" y3="0.71764297" z3="8.47906463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22206098" y3="0.38564348" z3="9.21314967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4034256" y3="1.60720316" z3="7.80068574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7873,-3.9119,10.9958;-3.8142,-4.3124,11.0945;-2.4777,-3.5418,11.9879;-2.1251,-4.7622,10.7388;-2.7204,-2.8097,9.9435;-1.6907,-2.42,9.8715;-3.3529,-1.9477,10.2073;-3.138,-3.3036,8.5587;-4.1381,-3.7747,8.6153;-2.416,-4.0567,8.1928;-2.0965,-1.7224,7.1364;-1.2249,.1678,5.704;-.2457,-.244,6.0095;-1.1655,1.2635,5.8876;-1.4124,-.0248,4.1875;-.6135,.5225,3.6465;-2.3643,.4541,3.8856;-1.4435,-1.4832,3.718;-1.5857,-1.4976,2.6174;-2.33,-1.974,4.1588;-.2076,-2.3156,4.0796;-.3396,-3.3319,3.6611;-.1664,-2.4359,5.1767;1.1105,-1.7356,3.5688;1.3435,-.7735,4.0582;1.9532,-2.42,3.7754;1.0806,-1.5559,2.4764;-1.0286,-2.3234,7.315;-2.2887,-.4422,6.572;-3.3298,-.1768,6.3576;-3.2658,-2.2614,7.6287;.7874,.4786,10.868;.9295,.7641,11.9257;1.5844,.9672,10.2777;.9435,-.6116,10.787;-.5987,.8646,10.357;-1.3772,.3739,10.9654;-.7532,1.9535,10.4819;-.8328,.4651,8.9007;-.5881,-.6047,8.7773;-.1494,1.0192,8.2317;-2.2871,.7176,8.4791;-3.2221,.3856,9.2131;-2.4034,1.6072,7.8007;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605730078933</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003593103997 0.000692085552 0.027765763273 0.008705067071</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036569469 -0.001120297 0.000294681 0.000546498 0.000620341 0.000938737 0.001397549 0.001516003 0.002095296 0.003103555 0.003546260 0.004592192 0.005314406 0.005979995 0.006604526 0.009352267 0.009713085 0.009967815 0.011684374 0.012997392 0.014692312 0.017476072 0.019656244 0.021528171 0.024602699 0.026985848 0.028504565 0.029846844 0.031856430 0.036064295 0.038625391 0.039771528 0.040835268 0.041987079 0.046295080 0.049745104 0.050545525 0.050894880 0.051570726 0.052538279 0.055999400 0.056967758 0.057628574 0.059721113 0.062076831 0.066310837 0.073607760 0.075228090 0.077155858 0.078300228 0.079123629 0.080973437 0.083030554 0.087404878 0.088395619 0.090776478 0.102681101 0.107717895 0.108391828 0.112285354 0.113968804 0.114928607 0.127866578 0.133364366 0.135176671 0.138828384 0.145253554 0.151234336 0.157830345 0.161786573 0.170724664 0.174059745 0.176917546 0.177944423 0.189760691 0.198238584 0.204516303 0.212505135 0.214441097 0.222773622 0.230991163 0.241208647 0.252054959 0.275174005 0.301598628 0.303262988 0.319815643 0.356426382 0.376668248 0.416440526 0.464890265 0.489665155 0.541324520 0.548600177 0.610409411 0.612466628 0.661271963 0.716846862 0.734925909 0.741249246 0.754531166 0.764977982 0.778109633 0.779748139 0.785386174 0.786761268 0.795329243 0.818185657 0.818617280 0.842719524 0.848638996 0.855794753 0.859483471 0.880328320 0.894486583 0.917750058 0.920185363 0.921431714 0.928482961 0.975042533 0.987410573 1.021606216 1.032333535 1.090117103 1.437175921 1.528710883</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">61</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78794869" y3="-3.93094147" z3="10.98824515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81112837" y3="-4.34016466" z3="11.09381139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.47530114" y3="-3.55611234" z3="11.98084888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.12076631" y3="-4.77243891" z3="10.72227048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.72446101" y3="-2.8244676" z3="9.93878129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.69875951" y3="-2.42866029" z3="9.86882912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.36009605" y3="-1.96476098" z3="10.20808795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13967106" y3="-3.30716197" z3="8.55287224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14079985" y3="-3.77328605" z3="8.60096539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.4187103" y3="-4.06092999" z3="8.18475092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09745852" y3="-1.71974694" z3="7.13813557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.22023632" y3="0.16861381" z3="5.70730434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.24326704" y3="-0.24749381" z3="6.01431079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.15718144" y3="1.26373679" z3="5.89349673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.4041894" y3="-0.01961482" z3="4.18966554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.59937583" y3="0.52272209" z3="3.65222109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.35153957" y3="0.46701026" z3="3.88538598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44492031" y3="-1.47691955" z3="3.71751412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58369463" y3="-1.48843932" z3="2.61645154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.33676573" y3="-1.96131472" z3="4.15476674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21696173" y3="-2.31978366" z3="4.0819361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.35648151" y3="-3.33485381" z3="3.6627439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.17921697" y3="-2.44083121" z3="5.17920406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10731585" y3="-1.75070187" z3="3.57458851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34719297" y3="-0.79081049" z3="4.06497462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.94374348" y3="-2.44229012" z3="3.78310832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08174568" y3="-1.57043414" z3="2.48212962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.03008436" y3="-2.32183033" z3="7.31698481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28771772" y3="-0.44030244" z3="6.57153869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32803521" y3="-0.17295806" z3="6.35542857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26729937" y3="-2.25648448" z3="7.6322037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.7937693" y3="0.50092886" z3="10.86489745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.93726882" y3="0.78779877" z3="11.92405956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58759272" y3="0.9924627" z3="10.2714536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.9534623" y3="-0.59032055" z3="10.78474897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.59603557" y3="0.87805105" z3="10.35674292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.37151487" y3="0.38625289" z3="10.96971192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75342378" y3="1.96832498" z3="10.47816596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83389037" y3="0.47158991" z3="8.90135167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59002402" y3="-0.60040656" z3="8.78024459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15162951" y3="1.02473242" z3="8.22852795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28957864" y3="0.71818692" z3="8.48608807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.2170809" y3="0.3768926" z3="9.22222815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41520728" y3="1.60654441" z3="7.81059593">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7879,-3.9309,10.9882;-3.8111,-4.3402,11.0938;-2.4753,-3.5561,11.9808;-2.1208,-4.7724,10.7223;-2.7245,-2.8245,9.9388;-1.6988,-2.4287,9.8688;-3.3601,-1.9648,10.2081;-3.1397,-3.3072,8.5529;-4.1408,-3.7733,8.601;-2.4187,-4.0609,8.1848;-2.0975,-1.7197,7.1381;-1.2202,.1686,5.7073;-.2433,-.2475,6.0143;-1.1572,1.2637,5.8935;-1.4042,-.0196,4.1897;-.5994,.5227,3.6522;-2.3515,.467,3.8854;-1.4449,-1.4769,3.7175;-1.5837,-1.4884,2.6165;-2.3368,-1.9613,4.1548;-.217,-2.3198,4.0819;-.3565,-3.3349,3.6627;-.1792,-2.4408,5.1792;1.1073,-1.7507,3.5746;1.3472,-.7908,4.065;1.9437,-2.4423,3.7831;1.0817,-1.5704,2.4821;-1.0301,-2.3218,7.317;-2.2877,-.4403,6.5715;-3.328,-.173,6.3554;-3.2673,-2.2565,7.6322;.7938,.5009,10.8649;.9373,.7878,11.9241;1.5876,.9925,10.2715;.9535,-.5903,10.7847;-.596,.8781,10.3567;-1.3715,.3863,10.9697;-.7534,1.9683,10.4782;-.8339,.4716,8.9014;-.59,-.6004,8.7802;-.1516,1.0247,8.2285;-2.2896,.7182,8.4861;-3.2171,.3769,9.2222;-2.4152,1.6065,7.8106;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605748453106</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001764172548 0.000516465185 0.031997230264 0.008703691589</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036594753 -0.000959955 0.000294151 0.000556264 0.000628572 0.000987528 0.001404666 0.001521972 0.002102076 0.003128716 0.003540155 0.004594468 0.005373203 0.005981326 0.006605843 0.009369816 0.009713962 0.009980662 0.011758820 0.013524473 0.014737699 0.017472650 0.019661184 0.021545031 0.024602442 0.027132619 0.028509313 0.029971027 0.031865022 0.036063420 0.038852361 0.039774206 0.040874962 0.042028575 0.046296214 0.049750160 0.050675757 0.050943739 0.051606127 0.052541913 0.056002981 0.057168174 0.057651866 0.059750604 0.062125719 0.066370248 0.073635473 0.075232764 0.077158162 0.078300727 0.079128449 0.080972781 0.083041989 0.087405298 0.088447403 0.090873127 0.102682635 0.107725110 0.108393855 0.112285397 0.113969464 0.114930483 0.128189924 0.133373951 0.135183594 0.138828651 0.145258710 0.151273073 0.157841114 0.161787814 0.170729941 0.174099119 0.176937892 0.177944349 0.189844706 0.198476062 0.204526555 0.212648027 0.214443551 0.222787381 0.231068209 0.241205701 0.252117658 0.275233753 0.301654268 0.303269643 0.319825877 0.356517553 0.376805455 0.416569104 0.464893195 0.489859390 0.541412235 0.548834912 0.610599576 0.612661349 0.661316375 0.716845592 0.734930055 0.741332431 0.754535196 0.764978787 0.778136628 0.779766619 0.785390943 0.786764697 0.795329487 0.818239067 0.818619360 0.842882954 0.848663347 0.855861804 0.859492160 0.880362586 0.894487828 0.917750154 0.920195191 0.921451710 0.928929355 0.975043316 0.987445313 1.021836223 1.032369812 1.090377659 1.437470291 1.528993677</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">62</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78570218" y3="-3.94169248" z3="10.97705821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80870401" y3="-4.35527063" z3="11.07353111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.47939331" y3="-3.57898406" z3="11.97264774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.11418493" y3="-4.77982169" z3="10.70881602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.73064979" y3="-2.82755724" z3="9.93634117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.7045793" y3="-2.42783241" z3="9.86517882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.36955818" y3="-1.97202811" z3="10.21306312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14658378" y3="-3.3110822" z3="8.54787305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14779441" y3="-3.78077278" z3="8.60213029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42575575" y3="-4.06349569" z3="8.17833559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09630688" y3="-1.72314125" z3="7.13966725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.2144145" y3="0.1666909" z3="5.71387661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23906537" y3="-0.25312877" z3="6.02053726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.14838527" y3="1.26097727" z3="5.90413006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.3966737" y3="-0.01478543" z3="4.195336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.58684699" y3="0.52385245" z3="3.6617482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.33980906" y3="0.47959275" z3="3.8907663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44695429" y3="-1.46995258" z3="3.71789706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58290378" y3="-1.4764716" z3="2.61650807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34345669" y3="-1.94928201" z3="4.15116085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22634327" y3="-2.32313165" z3="4.08236589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.37311284" y3="-3.33595626" z3="3.66035674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.19092845" y3="-2.44728854" z3="5.17924025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10327595" y3="-1.76313234" z3="3.57902229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34964255" y3="-0.80639322" z3="4.07227119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.93371804" y3="-2.46175083" z3="3.78756453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08131292" y3="-1.58003316" z3="2.48703176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02941028" y3="-2.32375215" z3="7.32570676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28471681" y3="-0.44346524" z3="6.5736748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32422133" y3="-0.17543872" z3="6.35496918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26816843" y3="-2.26492713" z3="7.62166577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.80095168" y3="0.52501642" z3="10.86050991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.94524499" y3="0.81573998" z3="11.91833249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58607931" y3="1.02445993" z3="10.26268156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.97289904" y3="-0.56380427" z3="10.7811565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.59383883" y3="0.88632214" z3="10.35828288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.36055591" y3="0.38988667" z3="10.97736313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76140824" y3="1.97507987" z3="10.47686408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83340775" y3="0.4728456" z3="8.90480276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58746394" y3="-0.5989881" z3="8.78655335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15438427" y3="1.02572984" z3="8.22833205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29005037" y3="0.71678732" z3="8.49003126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21989212" y3="0.37480428" z3="9.22504679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41586125" y3="1.60496244" z3="7.81194414">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7857,-3.9417,10.9771;-3.8087,-4.3553,11.0735;-2.4794,-3.579,11.9726;-2.1142,-4.7798,10.7088;-2.7306,-2.8276,9.9363;-1.7046,-2.4278,9.8652;-3.3696,-1.972,10.2131;-3.1466,-3.3111,8.5479;-4.1478,-3.7808,8.6021;-2.4258,-4.0635,8.1783;-2.0963,-1.7231,7.1397;-1.2144,.1667,5.7139;-.2391,-.2531,6.0205;-1.1484,1.261,5.9041;-1.3967,-.0148,4.1953;-.5868,.5239,3.6617;-2.3398,.4796,3.8908;-1.447,-1.47,3.7179;-1.5829,-1.4765,2.6165;-2.3435,-1.9493,4.1512;-.2263,-2.3231,4.0824;-.3731,-3.336,3.6604;-.1909,-2.4473,5.1792;1.1033,-1.7631,3.579;1.3496,-.8064,4.0723;1.9337,-2.4618,3.7876;1.0813,-1.58,2.487;-1.0294,-2.3238,7.3257;-2.2847,-.4435,6.5737;-3.3242,-.1754,6.355;-3.2682,-2.2649,7.6217;.801,.525,10.8605;.9452,.8157,11.9183;1.5861,1.0245,10.2627;.9729,-.5638,10.7812;-.5938,.8863,10.3583;-1.3606,.3899,10.9774;-.7614,1.9751,10.4769;-.8334,.4728,8.9048;-.5875,-.599,8.7866;-.1544,1.0257,8.2283;-2.2901,.7168,8.49;-3.2199,.3748,9.225;-2.4159,1.605,7.8119;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605754210682</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002414861467 0.000585833242 0.030617642327 0.008701262570</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036612022 -0.001161432 0.000306794 0.000563994 0.000627483 0.001031224 0.001404143 0.001528353 0.002101108 0.003182869 0.003563690 0.004602318 0.005469835 0.005988058 0.006613603 0.009369950 0.009712920 0.009997308 0.011787718 0.013854092 0.014877961 0.017496597 0.019659034 0.021571549 0.024604751 0.027284782 0.028507738 0.030308859 0.031890000 0.036065004 0.039015889 0.039778317 0.040935843 0.042025272 0.046296143 0.049755427 0.050803970 0.051092364 0.051724262 0.052548775 0.056012559 0.057409180 0.057831467 0.059794222 0.062342911 0.066367378 0.073663153 0.075245203 0.077156934 0.078301025 0.079135171 0.080980902 0.083049660 0.087421564 0.088567820 0.090863796 0.102685107 0.107727025 0.108395762 0.112293259 0.113969711 0.114930535 0.128331732 0.133390688 0.135206546 0.138828752 0.145274935 0.151386050 0.157869068 0.161789903 0.170731212 0.174114028 0.176943777 0.177946033 0.189869513 0.198590895 0.204575700 0.212729510 0.214446698 0.222851813 0.231115994 0.241212864 0.252142507 0.275338076 0.301869047 0.303268338 0.319826121 0.356629304 0.376911018 0.416763099 0.465039962 0.489944977 0.541480964 0.549024896 0.610603391 0.612856255 0.661372002 0.716851784 0.734932953 0.741481467 0.754535612 0.764978966 0.778136580 0.779780886 0.785391998 0.786767278 0.795329887 0.818315702 0.818628385 0.843049671 0.848689203 0.855866169 0.859505656 0.880379903 0.894487617 0.917753695 0.920243140 0.921476630 0.929006490 0.975051377 0.987465397 1.022191825 1.032884767 1.090460583 1.437806867 1.529218762</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">63</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.7886658" y3="-3.95851586" z3="10.97088435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80718365" y3="-4.37937944" z3="11.06952597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.48102159" y3="-3.59159894" z3="11.9676422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.11259787" y3="-4.79102526" z3="10.69795262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.73375595" y3="-2.84053658" z3="9.93313651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71102277" y3="-2.43587818" z3="9.86661931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.37597834" y3="-1.98954328" z3="10.21005297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14494418" y3="-3.31394781" z3="8.54335498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14773479" y3="-3.77714608" z3="8.58492302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42489151" y3="-4.06844304" z3="8.17460504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09377688" y3="-1.72164317" z3="7.14077901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20812652" y3="0.16638389" z3="5.71611304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23482762" y3="-0.25831639" z3="6.0229545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13856807" y3="1.25986961" z3="5.91058097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38899655" y3="-0.00919134" z3="4.19668838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57448068" y3="0.52500179" z3="3.66598327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32810413" y3="0.49288917" z3="3.89218758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44937989" y3="-1.46285979" z3="3.71541782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58233677" y3="-1.46564931" z3="2.61356662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35079388" y3="-1.9359577" z3="4.14521745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23656338" y3="-2.3266756" z3="4.08141633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39002253" y3="-3.33737684" z3="3.65646708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20476583" y3="-2.45350526" z3="5.17828575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0986152" y3="-1.7757173" z3="3.58303485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35060477" y3="-0.8219776" z3="4.0793904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92323528" y3="-2.4810848" z3="3.79233358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08104326" y3="-1.58987553" z3="2.49133978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02762372" y3="-2.32511888" z3="7.32542326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.2811266" y3="-0.44425449" z3="6.57117965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32020967" y3="-0.17455542" z3="6.35291691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26753979" y3="-2.25725521" z3="7.62950987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.80730769" y3="0.54837993" z3="10.85897053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.95389694" y3="0.84635762" z3="11.91361327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58757871" y3="1.04949936" z3="10.25588744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.98608748" y3="-0.5396789" z3="10.78588285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.5924222" y3="0.89879221" z3="10.35805053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.35546187" y3="0.4031392" z3="10.9830538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76568138" y3="1.98697254" z3="10.46726775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83577594" y3="0.47252616" z3="8.91062413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.5935113" y3="-0.60003061" z3="8.80352496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15694708" y3="1.01525977" z3="8.22817909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29201362" y3="0.71707403" z3="8.49807914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21981325" y3="0.37129293" z3="9.23144354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42006549" y3="1.60268772" z3="7.81831274">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7887,-3.9585,10.9709;-3.8072,-4.3794,11.0695;-2.481,-3.5916,11.9676;-2.1126,-4.791,10.698;-2.7338,-2.8405,9.9331;-1.711,-2.4359,9.8666;-3.376,-1.9895,10.2101;-3.1449,-3.3139,8.5434;-4.1477,-3.7771,8.5849;-2.4249,-4.0684,8.1746;-2.0938,-1.7216,7.1408;-1.2081,.1664,5.7161;-.2348,-.2583,6.023;-1.1386,1.2599,5.9106;-1.389,-.0092,4.1967;-.5745,.525,3.666;-2.3281,.4929,3.8922;-1.4494,-1.4629,3.7154;-1.5823,-1.4656,2.6136;-2.3508,-1.936,4.1452;-.2366,-2.3267,4.0814;-.39,-3.3374,3.6565;-.2048,-2.4535,5.1783;1.0986,-1.7757,3.583;1.3506,-.822,4.0794;1.9232,-2.4811,3.7923;1.081,-1.5899,2.4913;-1.0276,-2.3251,7.3254;-2.2811,-.4443,6.5712;-3.3202,-.1746,6.3529;-3.2675,-2.2573,7.6295;.8073,.5484,10.859;.9539,.8464,11.9136;1.5876,1.0495,10.2559;.9861,-.5397,10.7859;-.5924,.8988,10.3581;-1.3555,.4031,10.9831;-.7657,1.987,10.4673;-.8358,.4725,8.9106;-.5935,-.6,8.8035;-.1569,1.0153,8.2282;-2.292,.7171,8.4981;-3.2198,.3713,9.2314;-2.4201,1.6027,7.8183;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605760500947</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002321340102 0.000540940285 0.031860944080 0.008703066091</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036624234 -0.001154101 0.000331341 0.000563462 0.000629199 0.001038979 0.001403973 0.001561057 0.002163824 0.003187462 0.003616108 0.004640815 0.005515801 0.005988403 0.006614117 0.009369196 0.009710906 0.009998635 0.011793427 0.013977125 0.015028941 0.017509709 0.019656772 0.021578960 0.024610676 0.027363634 0.028511607 0.030718046 0.031938489 0.036109288 0.039074517 0.039779241 0.040989493 0.042050004 0.046296250 0.049758611 0.050826879 0.051249834 0.051979797 0.052588466 0.056017191 0.057493421 0.058287699 0.059826669 0.062877351 0.066380021 0.073685648 0.075270517 0.077177054 0.078301602 0.079169815 0.081001551 0.083047206 0.087460720 0.088695964 0.090866831 0.102685568 0.107740417 0.108400416 0.112309279 0.113971360 0.114931670 0.128579450 0.133476386 0.135215097 0.138829701 0.145286448 0.151613644 0.157880799 0.161790242 0.170734008 0.174135671 0.176943871 0.177948076 0.189867788 0.198680504 0.204772378 0.212760422 0.214452665 0.222941184 0.231256869 0.241285788 0.252222936 0.275471454 0.301923892 0.303280541 0.319823576 0.356729944 0.376908148 0.416959915 0.465198010 0.490098949 0.541483693 0.549395258 0.610735539 0.613313497 0.661517028 0.716858214 0.734943136 0.741552403 0.754535776 0.764979408 0.778145128 0.779798180 0.785394364 0.786799519 0.795330055 0.818501565 0.818687960 0.843108652 0.848702698 0.855894089 0.859510002 0.880383310 0.894487604 0.917753904 0.920352852 0.921480401 0.929012771 0.975054162 0.987524111 1.022870660 1.033020775 1.090506350 1.437810731 1.529218539</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">64</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78830255" y3="-3.97276802" z3="10.96228695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80748003" y3="-4.39762933" z3="11.05189873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.48736058" y3="-3.61643491" z3="11.96282452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.1073545" y3="-4.80059041" z3="10.68684039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74240092" y3="-2.84739498" z3="9.93355597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.72009975" y3="-2.43913439" z3="9.86976628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.38916235" y3="-2.00054099" z3="10.21950028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15339917" y3="-3.31777294" z3="8.53866492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15561886" y3="-3.78520027" z3="8.58431924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43166967" y3="-4.06866839" z3="8.16723548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09502394" y3="-1.72438044" z3="7.14175549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20296658" y3="0.16399183" z3="5.72070918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23141783" y3="-0.26479184" z3="6.02742271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12974181" y3="1.25677101" z3="5.91822931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38171557" y3="-0.00541468" z3="4.20004589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56226278" y3="0.52515461" z3="3.67293797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31678056" y3="0.50403647" z3="3.89469623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45065186" y3="-1.45690923" z3="3.71369515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58097848" y3="-1.4551518" z3="2.61153016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35624026" y3="-1.92533538" z3="4.13982591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24457015" y3="-2.32998408" z3="4.07961843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.4042051" y3="-3.33849564" z3="3.65176641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21524878" y3="-2.45988562" z3="5.17611804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09535589" y3="-1.78701213" z3="3.58522642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35285077" y3="-0.83621545" z3="4.08435198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91460662" y3="-2.4985883" z3="3.79456011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08135977" y3="-1.59846176" z3="2.49396874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02960015" y3="-2.32726206" z3="7.33128334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27928851" y3="-0.44642656" z3="6.57263587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3173788" y3="-0.17382312" z3="6.35259013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.27019333" y3="-2.26432624" z3="7.62048359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.8150557" y3="0.57400963" z3="10.85768517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.96167629" y3="0.87821857" z3="11.9113598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58939959" y3="1.07849144" z3="10.24962162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.00251243" y3="-0.51311522" z3="10.78954485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.5886851" y3="0.90972762" z3="10.35946714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.34607508" y3="0.41057902" z3="10.98903564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76915" y3="1.99833764" z3="10.46575421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8327021" y3="0.4772785" z3="8.91145601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58801713" y3="-0.59678981" z3="8.80364913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15609887" y3="1.0232984" z3="8.22622407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2903177" y3="0.71503322" z3="8.50375474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21345688" y3="0.36325855" z3="9.23885323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42556313" y3="1.5997048" z3="7.82562339">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7883,-3.9728,10.9623;-3.8075,-4.3976,11.0519;-2.4874,-3.6164,11.9628;-2.1074,-4.8006,10.6868;-2.7424,-2.8474,9.9336;-1.7201,-2.4391,9.8698;-3.3892,-2.0005,10.2195;-3.1534,-3.3178,8.5387;-4.1556,-3.7852,8.5843;-2.4317,-4.0687,8.1672;-2.095,-1.7244,7.1418;-1.203,.164,5.7207;-.2314,-.2648,6.0274;-1.1297,1.2568,5.9182;-1.3817,-.0054,4.2;-.5623,.5252,3.6729;-2.3168,.504,3.8947;-1.4507,-1.4569,3.7137;-1.581,-1.4552,2.6115;-2.3562,-1.9253,4.1398;-.2446,-2.33,4.0796;-.4042,-3.3385,3.6518;-.2152,-2.4599,5.1761;1.0954,-1.787,3.5852;1.3529,-.8362,4.0844;1.9146,-2.4986,3.7946;1.0814,-1.5985,2.494;-1.0296,-2.3273,7.3313;-2.2793,-.4464,6.5726;-3.3174,-.1738,6.3526;-3.2702,-2.2643,7.6205;.8151,.574,10.8577;.9617,.8782,11.9114;1.5894,1.0785,10.2496;1.0025,-.5131,10.7895;-.5887,.9097,10.3595;-1.3461,.4106,10.989;-.7692,1.9983,10.4658;-.8327,.4773,8.9115;-.588,-.5968,8.8036;-.1561,1.0233,8.2262;-2.2903,.715,8.5038;-3.2135,.3633,9.2389;-2.4256,1.5997,7.8256;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605766815414</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002007272904 0.000511605827 0.032306246503 0.008707055296</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036627733 -0.001068986 0.000330941 0.000597347 0.000648512 0.001039510 0.001403977 0.001624639 0.002394406 0.003201740 0.003651482 0.004755693 0.005545207 0.005999100 0.006631356 0.009368764 0.009727499 0.010005758 0.011792818 0.014023750 0.015078332 0.017530723 0.019659904 0.021585334 0.024617544 0.027364282 0.028532142 0.030936644 0.031978419 0.036218522 0.039082947 0.039782745 0.041010485 0.042110134 0.046296453 0.049761169 0.050832729 0.051298239 0.052151529 0.052674445 0.056023794 0.057514969 0.058646430 0.059933274 0.063404654 0.066408556 0.073687364 0.075293514 0.077226568 0.078301612 0.079201557 0.081065361 0.083048224 0.087509208 0.088778671 0.090913587 0.102686000 0.107755020 0.108401914 0.112314837 0.113972077 0.114932406 0.128728536 0.133592996 0.135232371 0.138830287 0.145292181 0.151806195 0.157881722 0.161794951 0.170746489 0.174137390 0.176949761 0.177949714 0.189871265 0.198687366 0.204972618 0.212759802 0.214474099 0.223026374 0.231298751 0.241334694 0.252377905 0.275550588 0.302030264 0.303318022 0.319842520 0.356744706 0.376989484 0.417013278 0.465289928 0.490153130 0.541651771 0.549531682 0.611021742 0.613600172 0.661603849 0.716862879 0.734949060 0.741552591 0.754536354 0.764979317 0.778199445 0.779852948 0.785446934 0.786824959 0.795330185 0.818542622 0.818775050 0.843291203 0.848722608 0.855914072 0.859518976 0.880429031 0.894489124 0.917754836 0.920355022 0.921483327 0.929049281 0.975071203 0.987571743 1.023430750 1.033315770 1.090507519 1.438054349 1.529330543</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">65</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79753473" y3="-3.98463062" z3="10.95622396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8119796" y3="-4.41936122" z3="11.04313401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.5032074" y3="-3.62407168" z3="11.95834167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.10884025" y3="-4.80581553" z3="10.68089622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74915235" y3="-2.85684991" z3="9.92851189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.72993768" y3="-2.43993652" z3="9.86819236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.40185263" y3="-2.015171" z3="10.21157989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1482517" y3="-3.32484158" z3="8.53351914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15001374" y3="-3.7924722" z3="8.56831823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42335588" y3="-4.07483483" z3="8.16522902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0884614" y3="-1.72600149" z3="7.14429545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.1971733" y3="0.16255845" z3="5.72447697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2266328" y3="-0.26936681" z3="6.02957208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12180268" y3="1.25445445" z3="5.92620186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37676902" y3="-0.00081962" z3="4.2035331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55475587" y3="0.52712421" z3="3.67825325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3090304" y3="0.51435358" z3="3.90026255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45379269" y3="-1.45035775" z3="3.71276133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58263487" y3="-1.44456566" z3="2.61047692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3626198" y3="-1.91447167" z3="4.13650635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25362161" y3="-2.33177528" z3="4.07768051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41921499" y3="-3.33825027" z3="3.647401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22549194" y3="-2.46427111" z3="5.17390605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08987576" y3="-1.79601378" z3="3.58545666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35267879" y3="-0.84793904" z3="4.08687829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90451384" y3="-2.51298808" z3="3.79386718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07785392" y3="-1.60506136" z3="2.49464538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02310183" y3="-2.32871415" z3="7.33641468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27395562" y3="-0.44999607" z3="6.57292126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31203856" y3="-0.17775831" z3="6.35353107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26473349" y3="-2.26544451" z3="7.62241964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.82308035" y3="0.59758634" z3="10.85445442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.97285121" y3="0.91052481" z3="11.90493269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58990094" y3="1.10351694" z3="10.23878045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.01845381" y3="-0.48864577" z3="10.79275497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58507606" y3="0.92012215" z3="10.36155623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.33460439" y3="0.42309895" z3="11.00016237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.77317127" y3="2.00710361" z3="10.45803033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83375556" y3="0.47274934" z3="8.92128547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59384314" y3="-0.60152438" z3="8.8265543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15729867" y3="1.00631002" z3="8.22930269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29043593" y3="0.71575197" z3="8.51084644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21965489" y3="0.36743998" z3="9.24186295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41977364" y3="1.59864271" z3="7.82644156">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.7975,-3.9846,10.9562;-3.812,-4.4194,11.0431;-2.5032,-3.6241,11.9583;-2.1088,-4.8058,10.6809;-2.7492,-2.8568,9.9285;-1.7299,-2.4399,9.8682;-3.4019,-2.0152,10.2116;-3.1483,-3.3248,8.5335;-4.15,-3.7925,8.5683;-2.4234,-4.0748,8.1652;-2.0885,-1.726,7.1443;-1.1972,.1626,5.7245;-.2266,-.2694,6.0296;-1.1218,1.2545,5.9262;-1.3768,-.0008,4.2035;-.5548,.5271,3.6783;-2.309,.5144,3.9003;-1.4538,-1.4504,3.7128;-1.5826,-1.4446,2.6105;-2.3626,-1.9145,4.1365;-.2536,-2.3318,4.0777;-.4192,-3.3383,3.6474;-.2255,-2.4643,5.1739;1.0899,-1.796,3.5855;1.3527,-.8479,4.0869;1.9045,-2.513,3.7939;1.0779,-1.6051,2.4946;-1.0231,-2.3287,7.3364;-2.274,-.45,6.5729;-3.312,-.1778,6.3535;-3.2647,-2.2654,7.6224;.8231,.5976,10.8545;.9729,.9105,11.9049;1.5899,1.1035,10.2388;1.0185,-.4886,10.7928;-.5851,.9201,10.3616;-1.3346,.4231,11.0002;-.7732,2.0071,10.458;-.8338,.4727,8.9213;-.5938,-.6015,8.8266;-.1573,1.0063,8.2293;-2.2904,.7158,8.5108;-3.2197,.3674,9.2419;-2.4198,1.5986,7.8264;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605771414065</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002964352550 0.000561000890 0.034307710492 0.008708024362</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036636474 -0.000778475 0.000335212 0.000593947 0.000664925 0.001043741 0.001405002 0.001659204 0.002608499 0.003251931 0.003687815 0.004882403 0.005544589 0.006033991 0.006704088 0.009368390 0.009753625 0.010001614 0.011792339 0.014058430 0.015088152 0.017520215 0.019667209 0.021612115 0.024622448 0.027375024 0.028565673 0.030977160 0.031988463 0.036377552 0.039080066 0.039779960 0.041015430 0.042141235 0.046296541 0.049762904 0.050851757 0.051310294 0.052196790 0.052736758 0.056025388 0.057519780 0.058762824 0.060004841 0.063661204 0.066442815 0.073689381 0.075303877 0.077286535 0.078301408 0.079227000 0.081243137 0.083091096 0.087537606 0.088775096 0.091101059 0.102689600 0.107753746 0.108402480 0.112318025 0.113972001 0.114936858 0.128979216 0.133679233 0.135248144 0.138832461 0.145335926 0.151928793 0.157891794 0.161810663 0.170746802 0.174143556 0.176956670 0.177949958 0.189882971 0.198691116 0.205128904 0.212760226 0.214500860 0.223051056 0.231337742 0.241375289 0.252420553 0.275570230 0.302075886 0.303338742 0.319850039 0.356748309 0.377136407 0.417014979 0.465297921 0.490222534 0.542104305 0.549619314 0.611308662 0.613838527 0.661666360 0.716864144 0.734950351 0.741584845 0.754536561 0.764979311 0.778221862 0.779930479 0.785502576 0.786833638 0.795330295 0.818547153 0.818793446 0.843321290 0.848726594 0.855914333 0.859518980 0.880516808 0.894489094 0.917755178 0.920385633 0.921483711 0.929056067 0.975071821 0.987686567 1.023602241 1.033338478 1.090510872 1.438872811 1.529739768</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">66</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80138027" y3="-4.00170786" z3="10.94864062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81494117" y3="-4.44111978" z3="11.02437564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.51455778" y3="-3.64902225" z3="11.95547318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.10660946" y3="-4.81781303" z3="10.67260381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7592243" y3="-2.86664209" z3="9.93023009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.74178843" y3="-2.44603104" z3="9.87827346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.41766151" y3="-2.03048703" z3="10.21799642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15463097" y3="-3.32792114" z3="8.52849214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15585957" y3="-3.79778527" z3="8.55839242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42660847" y3="-4.07442832" z3="8.16013409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08859778" y3="-1.7271541" z3="7.14567932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.1915854" y3="0.16091271" z3="5.7281121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.222494" y3="-0.27492183" z3="6.03292575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11290021" y3="1.25217916" z3="5.93268726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37047239" y3="0.00224732" z3="4.20634263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.5451125" y3="0.52706228" z3="3.68288591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.29989043" y3="0.52316059" z3="3.90329527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45481795" y3="-1.44587803" z3="3.71241805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58269403" y3="-1.4372372" z3="2.61002678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36642676" y3="-1.90584948" z3="4.13460264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25966468" y3="-2.33448233" z3="4.07648693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.43068704" y3="-3.33951294" z3="3.64483246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.23222466" y3="-2.46856964" z3="5.17257237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08675342" y3="-1.80544071" z3="3.58508412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35457925" y3="-0.85941439" z3="4.08779726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89749013" y3="-2.5271099" z3="3.79256148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07577841" y3="-1.61302495" z3="2.49453532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02418468" y3="-2.3312582" z3="7.33985834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27117746" y3="-0.45145173" z3="6.57350771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30863034" y3="-0.17734266" z3="6.35275737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26764873" y3="-2.26608518" z3="7.6201835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83152605" y3="0.62216397" z3="10.85371387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.98312294" y3="0.94483252" z3="11.90064364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59424146" y3="1.12787282" z3="10.23197231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.03280262" y3="-0.46311486" z3="10.80036123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58008823" y3="0.93413603" z3="10.36110482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32800099" y3="0.43516113" z3="11.00320179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.77219045" y3="2.02188153" z3="10.45233809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83062816" y3="0.47841775" z3="8.92157645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59008287" y3="-0.59758391" z3="8.83018804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15613266" y3="1.01088203" z3="8.22509911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28848717" y3="0.71429879" z3="8.51863385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20835169" y3="0.35786749" z3="9.25294843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42822284" y3="1.59470102" z3="7.83682679">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8014,-4.0017,10.9486;-3.8149,-4.4411,11.0244;-2.5146,-3.649,11.9555;-2.1066,-4.8178,10.6726;-2.7592,-2.8666,9.9302;-1.7418,-2.446,9.8783;-3.4177,-2.0305,10.218;-3.1546,-3.3279,8.5285;-4.1559,-3.7978,8.5584;-2.4266,-4.0744,8.1601;-2.0886,-1.7272,7.1457;-1.1916,.1609,5.7281;-.2225,-.2749,6.0329;-1.1129,1.2522,5.9327;-1.3705,.0022,4.2063;-.5451,.5271,3.6829;-2.2999,.5232,3.9033;-1.4548,-1.4459,3.7124;-1.5827,-1.4372,2.61;-2.3664,-1.9058,4.1346;-.2597,-2.3345,4.0765;-.4307,-3.3395,3.6448;-.2322,-2.4686,5.1726;1.0868,-1.8054,3.5851;1.3546,-.8594,4.0878;1.8975,-2.5271,3.7926;1.0758,-1.613,2.4945;-1.0242,-2.3313,7.3399;-2.2712,-.4515,6.5735;-3.3086,-.1773,6.3528;-3.2676,-2.2661,7.6202;.8315,.6222,10.8537;.9831,.9448,11.9006;1.5942,1.1279,10.232;1.0328,-.4631,10.8004;-.5801,.9341,10.3611;-1.328,.4352,11.0032;-.7722,2.0219,10.4523;-.8306,.4784,8.9216;-.5901,-.5976,8.8302;-.1561,1.0109,8.2251;-2.2885,.7143,8.5186;-3.2084,.3579,9.2529;-2.4282,1.5947,7.8368;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605776561014</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003143454332 0.000499687229 0.032218557675 0.008698495995</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036636198 -0.000482325 0.000332267 0.000593609 0.000678506 0.001047386 0.001407131 0.001668158 0.002726621 0.003279755 0.003711012 0.004955482 0.005547613 0.006058388 0.006799621 0.009368208 0.009797499 0.010000074 0.011792283 0.014097256 0.015086824 0.017513588 0.019666982 0.021664379 0.024623165 0.027423709 0.028613061 0.030974656 0.031987469 0.036509220 0.039077884 0.039780778 0.041014898 0.042144471 0.046297299 0.049763557 0.050895923 0.051311957 0.052199479 0.052750043 0.056024790 0.057520940 0.058787137 0.060068983 0.063682359 0.066465884 0.073699661 0.075304169 0.077309181 0.078301429 0.079233881 0.081315891 0.083118383 0.087548265 0.088775994 0.091282507 0.102694195 0.107759653 0.108402566 0.112318135 0.113972115 0.114938377 0.129029163 0.133696742 0.135268891 0.138832440 0.145419467 0.151962327 0.157912845 0.161833384 0.170745870 0.174143978 0.176967485 0.177949903 0.189898758 0.198692471 0.205197770 0.212783528 0.214514229 0.223052174 0.231327510 0.241377512 0.252458037 0.275581200 0.302096012 0.303346581 0.319881239 0.356776717 0.377297026 0.417026335 0.465324697 0.490226616 0.542548792 0.549624001 0.611475688 0.613886397 0.661673603 0.716869075 0.734950604 0.741640737 0.754536734 0.764979321 0.778224726 0.780013547 0.785560972 0.786834567 0.795330375 0.818547410 0.818795140 0.843419215 0.848734063 0.855919823 0.859519925 0.880590714 0.894492790 0.917755093 0.920485593 0.921483326 0.929059735 0.975073708 0.987729300 1.023632177 1.033340292 1.090514913 1.439786350 1.530186667</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">67</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.81232234" y3="-4.01540434" z3="10.94296286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8221981" y3="-4.46513297" z3="11.01156492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53694031" y3="-3.66185712" z3="11.95270677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.10812584" y3="-4.82350959" z3="10.66853174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.76982142" y3="-2.87701476" z3="9.92730172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.75526093" y3="-2.44712159" z3="9.8812204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.43610488" y3="-2.04636569" z3="10.21460346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15069147" y3="-3.33658245" z3="8.52349475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14914182" y3="-3.8128246" z3="8.54610213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.41599433" y3="-4.07755773" z3="8.15696208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08391878" y3="-1.72952181" z3="7.14818329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18779891" y3="0.1597942" z3="5.73271964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21939426" y3="-0.27822181" z3="6.03607052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10739008" y3="1.25036881" z3="5.94043963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36669469" y3="0.00613371" z3="4.21041058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.53877433" y3="0.52884022" z3="3.6888301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.29366126" y3="0.53178029" z3="3.90817201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45721631" y3="-1.44016988" z3="3.71267488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5842964" y3="-1.42821877" z3="2.61018121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37119159" y3="-1.89698395" z3="4.13324821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26639334" y3="-2.33505237" z3="4.07535682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.44261647" y3="-3.33869277" z3="3.64272513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2388434" y3="-2.47052838" z3="5.17129398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08252501" y3="-1.81225677" z3="3.58386329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.354951" y3="-0.86782487" z3="4.08697174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88986165" y3="-2.53793905" z3="3.79086414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07227654" y3="-1.61926791" z3="2.49330548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01892163" y3="-2.33122181" z3="7.34564147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26775096" y3="-0.45433854" z3="6.57607505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30512535" y3="-0.17999804" z3="6.35547928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26264427" y3="-2.27338241" z3="7.61672444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84052809" y3="0.64368416" z3="10.84974201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99590422" y3="0.97705108" z3="11.89329573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59985541" y3="1.14255312" z3="10.21919076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.04217945" y3="-0.44218885" z3="10.80752001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57343346" y3="0.94864334" z3="10.36077272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31557398" y3="0.45919771" z3="11.013368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76638504" y3="2.03643488" z3="10.43934521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82965065" y3="0.47656965" z3="8.92911698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59219079" y3="-0.60020993" z3="8.84842494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15600489" y3="0.99983684" z3="8.22557371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28758927" y3="0.71425163" z3="8.52511513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21231877" y3="0.35972375" z3="9.25711517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42406283" y3="1.59391268" z3="7.83911078">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8123,-4.0154,10.943;-3.8222,-4.4651,11.0116;-2.5369,-3.6619,11.9527;-2.1081,-4.8235,10.6685;-2.7698,-2.877,9.9273;-1.7553,-2.4471,9.8812;-3.4361,-2.0464,10.2146;-3.1507,-3.3366,8.5235;-4.1491,-3.8128,8.5461;-2.416,-4.0776,8.157;-2.0839,-1.7295,7.1482;-1.1878,.1598,5.7327;-.2194,-.2782,6.0361;-1.1074,1.2504,5.9404;-1.3667,.0061,4.2104;-.5388,.5288,3.6888;-2.2937,.5318,3.9082;-1.4572,-1.4402,3.7127;-1.5843,-1.4282,2.6102;-2.3712,-1.897,4.1332;-.2664,-2.3351,4.0754;-.4426,-3.3387,3.6427;-.2388,-2.4705,5.1713;1.0825,-1.8123,3.5839;1.355,-.8678,4.087;1.8899,-2.5379,3.7909;1.0723,-1.6193,2.4933;-1.0189,-2.3312,7.3456;-2.2678,-.4543,6.5761;-3.3051,-.18,6.3555;-3.2626,-2.2734,7.6167;.8405,.6437,10.8497;.9959,.9771,11.8933;1.5999,1.1426,10.2192;1.0422,-.4422,10.8075;-.5734,.9486,10.3608;-1.3156,.4592,11.0134;-.7664,2.0364,10.4393;-.8297,.4766,8.9291;-.5922,-.6002,8.8484;-.156,.9998,8.2256;-2.2876,.7143,8.5251;-3.2123,.3597,9.2571;-2.4241,1.5939,7.8391;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605778428612</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002268868719 0.000422455506 0.030770257884 0.008680899889</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036639166 -0.000273046 0.000339294 0.000591063 0.000689171 0.001047616 0.001411212 0.001676541 0.002796446 0.003285150 0.003719308 0.004959010 0.005545899 0.006061143 0.006835146 0.009368454 0.009806848 0.009998214 0.011793956 0.014115383 0.015086597 0.017514835 0.019664342 0.021717469 0.024622351 0.027485963 0.028658227 0.030987442 0.031993060 0.036588653 0.039075778 0.039781974 0.041015281 0.042147292 0.046298617 0.049763696 0.050901115 0.051312103 0.052201156 0.052749160 0.056023379 0.057523574 0.058785862 0.060062602 0.063688873 0.066485285 0.073715273 0.075304426 0.077315407 0.078300989 0.079234213 0.081373108 0.083153330 0.087548660 0.088804331 0.091385218 0.102697246 0.107779162 0.108402609 0.112321522 0.113972383 0.114941195 0.129075026 0.133704614 0.135290441 0.138832248 0.145478533 0.151967239 0.157939287 0.161850503 0.170749143 0.174149112 0.176968740 0.177950021 0.189933107 0.198692508 0.205240935 0.212796678 0.214526102 0.223058067 0.231323170 0.241378072 0.252468553 0.275589213 0.302169513 0.303347066 0.319888800 0.356790142 0.377326424 0.417039281 0.465438067 0.490239192 0.542850896 0.549629887 0.611504745 0.613902764 0.661676886 0.716881614 0.734951841 0.741662918 0.754538822 0.764979416 0.778278392 0.780061659 0.785576053 0.786838470 0.795330428 0.818548112 0.818798448 0.843430029 0.848735003 0.855926789 0.859520161 0.880640782 0.894494238 0.917754916 0.920534853 0.921483179 0.929130846 0.975079324 0.987811851 1.023635355 1.033513819 1.090516226 1.440239174 1.530393317</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">68</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.82319252" y3="-4.03313998" z3="10.93511224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83006931" y3="-4.49077521" z3="10.98999105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55943732" y3="-3.68466899" z3="11.95008389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.10989439" y3="-4.8348322" z3="10.66272492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.78290815" y3="-2.88746566" z3="9.92775507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.77122064" y3="-2.45056762" z3="9.89188913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.45735533" y3="-2.06496685" z3="10.21572147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15331175" y3="-3.34121284" z3="8.51719271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15107356" y3="-3.81984787" z3="8.52647585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.41273391" y3="-4.0784505" z3="8.1543735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08118624" y3="-1.72847787" z3="7.1525681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18370997" y3="0.15980505" z3="5.73599842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21562701" y3="-0.27962781" z3="6.03854969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1020358" y3="1.25022647" z3="5.94423184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36425091" y3="0.00684459" z3="4.21393862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.53612303" y3="0.52792713" z3="3.69148417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.29042774" y3="0.53430909" z3="3.91316211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45837294" y3="-1.43926593" z3="3.71621931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58614344" y3="-1.42706187" z3="2.6138874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37295737" y3="-1.8938832" z3="4.13750778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26943207" y3="-2.33690025" z3="4.07784788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.44840402" y3="-3.34015292" z3="3.64551372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.24090045" y3="-2.47229756" z3="5.17376117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07987517" y3="-1.81716723" z3="3.5847311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35499498" y3="-0.87343505" z3="4.08763154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.88579037" y3="-2.54453456" z3="3.79037215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06838884" y3="-1.62402869" z3="2.49435352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01689701" y3="-2.33105931" z3="7.35285311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26402943" y3="-0.45394609" z3="6.578827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3013538" y3="-0.18057534" z3="6.35688542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2625695" y3="-2.27064609" z3="7.61888262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85165408" y3="0.66520343" z3="10.84351762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01190705" y3="1.00782134" z3="11.8830325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60485659" y3="1.16318014" z3="10.20456632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.05784522" y3="-0.42013367" z3="10.8068186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56526459" y3="0.96184673" z3="10.36002626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30452782" y3="0.46980851" z3="11.01729555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76184472" y3="2.05009205" z3="10.43580098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8258367" y3="0.4818003" z3="8.9300424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.5894442" y3="-0.59596168" z3="8.8553888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15474965" y3="1.00065341" z3="8.22081967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28499549" y3="0.71531723" z3="8.53157323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20352557" y3="0.35615528" z3="9.26645617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42786774" y3="1.59347939" z3="7.84650822">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8232,-4.0331,10.9351;-3.8301,-4.4908,10.99;-2.5594,-3.6847,11.9501;-2.1099,-4.8348,10.6627;-2.7829,-2.8875,9.9278;-1.7712,-2.4506,9.8919;-3.4574,-2.065,10.2157;-3.1533,-3.3412,8.5172;-4.1511,-3.8198,8.5265;-2.4127,-4.0785,8.1544;-2.0812,-1.7285,7.1526;-1.1837,.1598,5.736;-.2156,-.2796,6.0385;-1.102,1.2502,5.9442;-1.3643,.0068,4.2139;-.5361,.5279,3.6915;-2.2904,.5343,3.9132;-1.4584,-1.4393,3.7162;-1.5861,-1.4271,2.6139;-2.373,-1.8939,4.1375;-.2694,-2.3369,4.0778;-.4484,-3.3402,3.6455;-.2409,-2.4723,5.1738;1.0799,-1.8172,3.5847;1.355,-.8734,4.0876;1.8858,-2.5445,3.7904;1.0684,-1.624,2.4944;-1.0169,-2.3311,7.3529;-2.264,-.4539,6.5788;-3.3014,-.1806,6.3569;-3.2626,-2.2706,7.6189;.8517,.6652,10.8435;1.0119,1.0078,11.883;1.6049,1.1632,10.2046;1.0578,-.4201,10.8068;-.5653,.9618,10.36;-1.3045,.4698,11.0173;-.7618,2.0501,10.4358;-.8258,.4818,8.93;-.5894,-.596,8.8554;-.1547,1.0007,8.2208;-2.285,.7153,8.5316;-3.2035,.3562,9.2665;-2.4279,1.5935,7.8465;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605773107977</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001358562211 0.000364124967 0.032812500040 0.008717769515</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036637827 -0.000326158 0.000371226 0.000594243 0.000691234 0.001085688 0.001420979 0.001691698 0.002944580 0.003288318 0.003720084 0.004961854 0.005543588 0.006061761 0.006843180 0.009373611 0.009808570 0.010008423 0.011792616 0.014123102 0.015085709 0.017546039 0.019666317 0.021747438 0.024626323 0.027518760 0.028692705 0.031019834 0.032010178 0.036644341 0.039084041 0.039779928 0.041016690 0.042172351 0.046300856 0.049763858 0.050903607 0.051316323 0.052218894 0.052754662 0.056023584 0.057534482 0.058793066 0.060057346 0.063756750 0.066527570 0.073719913 0.075306301 0.077316729 0.078301014 0.079234917 0.081411667 0.083175591 0.087548731 0.088833854 0.091432326 0.102698528 0.107793844 0.108403129 0.112333144 0.113972323 0.114942522 0.129074141 0.133705415 0.135319022 0.138832416 0.145498169 0.151967784 0.157958502 0.161862274 0.170751638 0.174155204 0.176972696 0.177950056 0.189986892 0.198695029 0.205275494 0.212816519 0.214528060 0.223077278 0.231326991 0.241392860 0.252511044 0.275625346 0.302247162 0.303365869 0.319946993 0.356862439 0.377328060 0.417068967 0.465491129 0.490243739 0.543029740 0.549633007 0.611515258 0.613906062 0.661681663 0.716883392 0.734952106 0.741662736 0.754547857 0.764979933 0.778378473 0.780162187 0.785599551 0.786849347 0.795330528 0.818554083 0.818848945 0.843529836 0.848745849 0.855926932 0.859521430 0.880667963 0.894496799 0.917754808 0.920552891 0.921483640 0.929182252 0.975088665 0.987837148 1.023651398 1.033549508 1.090522424 1.440419388 1.530492488</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">69</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83050066" y3="-4.04576489" z3="10.92739232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83424893" y3="-4.51017452" z3="10.97555666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.57639085" y3="-3.69911186" z3="11.94458791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.1108687" y3="-4.84024048" z3="10.65650462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.79000588" y3="-2.89757612" z3="9.92355824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.78112049" y3="-2.45499149" z3="9.8941328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.46963231" y3="-2.07761715" z3="10.21055891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14855359" y3="-3.3483222" z3="8.51135827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14156858" y3="-3.83539572" z3="8.5185755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40187238" y3="-4.07787114" z3="8.1477927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07765903" y3="-1.73045084" z3="7.15186164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.1814641" y3="0.16070383" z3="5.74021956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21386017" y3="-0.28020561" z3="6.04217234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.09892307" y3="1.25057772" z3="5.95149443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36061782" y3="0.01196973" z3="4.21722316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.52841919" y3="0.52976078" z3="3.6972151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28373657" y3="0.54507794" z3="3.91535812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46175141" y3="-1.43291829" z3="3.71682357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58771411" y3="-1.41816054" z3="2.61413769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37971419" y3="-1.883285" z3="4.1359233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27810626" y3="-2.33783406" z3="4.07926556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46267781" y3="-3.3399515" z3="3.64626546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.25091063" y3="-2.47404423" z3="5.17523856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07516316" y3="-1.82580012" z3="3.58778041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35500644" y3="-0.88345561" z3="4.09097268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87681354" y3="-2.55802097" z3="3.79502761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06645948" y3="-1.63272986" z3="2.49709233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01194909" y3="-2.32945203" z3="7.35413101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26240338" y3="-0.45603874" z3="6.58017569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29976172" y3="-0.18254907" z3="6.35834292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25819894" y3="-2.28039406" z3="7.61070151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85893331" y3="0.68332437" z3="10.84236989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02186649" y3="1.0382916" z3="11.87723026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61457532" y3="1.16899311" z3="10.19668222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.05991485" y3="-0.40304114" z3="10.82163715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55869866" y3="0.97955275" z3="10.35598806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29752371" y3="0.50262101" z3="11.02228968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75034193" y3="2.06881163" z3="10.41403818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82484457" y3="0.48081734" z3="8.93519396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59090558" y3="-0.59803911" z3="8.87214138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15525042" y3="0.9900148" z3="8.21814925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28457399" y3="0.71251582" z3="8.53991036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20189427" y3="0.34973804" z3="9.27469268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43043142" y3="1.59005319" z3="7.85460917">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8305,-4.0458,10.9274;-3.8342,-4.5102,10.9756;-2.5764,-3.6991,11.9446;-2.1109,-4.8402,10.6565;-2.79,-2.8976,9.9236;-1.7811,-2.455,9.8941;-3.4696,-2.0776,10.2106;-3.1486,-3.3483,8.5114;-4.1416,-3.8354,8.5186;-2.4019,-4.0779,8.1478;-2.0777,-1.7305,7.1519;-1.1815,.1607,5.7402;-.2139,-.2802,6.0422;-1.0989,1.2506,5.9515;-1.3606,.012,4.2172;-.5284,.5298,3.6972;-2.2837,.5451,3.9154;-1.4618,-1.4329,3.7168;-1.5877,-1.4182,2.6141;-2.3797,-1.8833,4.1359;-.2781,-2.3378,4.0793;-.4627,-3.34,3.6463;-.2509,-2.474,5.1752;1.0752,-1.8258,3.5878;1.355,-.8835,4.091;1.8768,-2.558,3.795;1.0665,-1.6327,2.4971;-1.0119,-2.3295,7.3541;-2.2624,-.456,6.5802;-3.2998,-.1825,6.3583;-3.2582,-2.2804,7.6107;.8589,.6833,10.8424;1.0219,1.0383,11.8772;1.6146,1.169,10.1967;1.0599,-.403,10.8216;-.5587,.9796,10.356;-1.2975,.5026,11.0223;-.7503,2.0688,10.414;-.8248,.4808,8.9352;-.5909,-.598,8.8721;-.1553,.99,8.2181;-2.2846,.7125,8.5399;-3.2019,.3497,9.2747;-2.4304,1.5901,7.8546;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605761960776</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001299609422 0.000378392699 0.028215966499 0.008426830037</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036638795 -0.000438154 0.000421802 0.000601616 0.000695660 0.001134433 0.001426934 0.001700184 0.003102534 0.003298480 0.003722690 0.004979289 0.005542291 0.006072800 0.006844517 0.009379308 0.009809560 0.010030383 0.011799674 0.014126134 0.015085892 0.017659256 0.019688684 0.021755966 0.024640152 0.027520653 0.028703993 0.031062251 0.032040633 0.036667070 0.039098011 0.039784819 0.041023247 0.042204017 0.046302150 0.049763986 0.050919822 0.051325867 0.052254326 0.052779562 0.056029871 0.057554597 0.058816534 0.060085951 0.063905275 0.066594275 0.073720005 0.075309703 0.077317069 0.078300178 0.079239767 0.081474629 0.083216866 0.087550254 0.088904256 0.091461769 0.102699521 0.107796926 0.108406452 0.112363708 0.113972707 0.114948357 0.129083758 0.133706656 0.135377187 0.138832777 0.145497690 0.151971129 0.157969564 0.161869841 0.170751887 0.174179406 0.176978154 0.177950030 0.190082636 0.198695698 0.205311995 0.212818678 0.214528147 0.223108897 0.231321853 0.241420300 0.252562476 0.275706647 0.302304005 0.303458361 0.319985422 0.356950305 0.377402594 0.417104819 0.465621286 0.490248011 0.543105286 0.549636568 0.611519341 0.613916634 0.661687324 0.716885931 0.734952200 0.741694488 0.754564661 0.764981467 0.778494124 0.780260273 0.785610905 0.786860174 0.795330749 0.818564113 0.818965346 0.843605136 0.848759621 0.855934997 0.859521431 0.880672783 0.894498412 0.917754495 0.920560823 0.921483687 0.929364048 0.975139013 0.987911715 1.023702022 1.033675761 1.090537809 1.440420178 1.530495444</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">70</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84540238" y3="-4.06134818" z3="10.92442819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.84650895" y3="-4.53483609" z3="10.95847339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.60460681" y3="-3.71743336" z3="11.94703322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.11540308" y3="-4.8502065" z3="10.65691473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.8051007" y3="-2.90669874" z3="9.92702477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.79863517" y3="-2.45561851" z3="9.90840859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.4942182" y3="-2.09538617" z3="10.21303211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14959092" y3="-3.35415233" z3="8.50786916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14222096" y3="-3.84468704" z3="8.49877637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39513578" y3="-4.08004576" z3="8.15013828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07460236" y3="-1.73068156" z3="7.15723848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.17865447" y3="0.15965205" z3="5.74245242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21085644" y3="-0.28174651" z3="6.04295423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.09557292" y3="1.24942424" z3="5.95374423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36018193" y3="0.0117571" z3="4.21993659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.52955493" y3="0.53024447" z3="3.69893381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28365974" y3="0.54443705" z3="3.92045923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46176324" y3="-1.43230717" z3="3.71827683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58818307" y3="-1.41653551" z3="2.61579716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37933812" y3="-1.88283753" z3="4.13736201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27851415" y3="-2.33744354" z3="4.07906924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.46338371" y3="-3.3388244" z3="3.64518854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.25069948" y3="-2.47467525" z3="5.17475621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07406704" y3="-1.82506238" z3="3.58750375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35381788" y3="-0.88327653" z3="4.09125381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.87564334" y3="-2.55688899" z3="3.79371393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06477892" y3="-1.63135383" z3="2.49716246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00967178" y3="-2.33106323" z3="7.36052066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.25872534" y3="-0.45622188" z3="6.58396777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29634591" y3="-0.18396982" z3="6.36153432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25696671" y3="-2.27721729" z3="7.61702305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.87060482" y3="0.70182181" z3="10.83358181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.03913845" y3="1.06607355" z3="11.86484812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61980298" y3="1.18382191" z3="10.17814111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.07405941" y3="-0.3844965" z3="10.81862121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.54923309" y3="0.99061098" z3="10.35511614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.28345902" y3="0.5150784" z3="11.02872691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74271938" y3="2.08051647" z3="10.40936287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82084034" y3="0.48241016" z3="8.93695899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58828652" y3="-0.59736364" z3="8.88010926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15290711" y3="0.9870541" z3="8.21426314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28180085" y3="0.71169128" z3="8.54360143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.19818435" y3="0.34757069" z3="9.27971455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4293467" y3="1.58960129" z3="7.85837977">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8454,-4.0613,10.9244;-3.8465,-4.5348,10.9585;-2.6046,-3.7174,11.947;-2.1154,-4.8502,10.6569;-2.8051,-2.9067,9.927;-1.7986,-2.4556,9.9084;-3.4942,-2.0954,10.213;-3.1496,-3.3542,8.5079;-4.1422,-3.8447,8.4988;-2.3951,-4.08,8.1501;-2.0746,-1.7307,7.1572;-1.1787,.1597,5.7425;-.2109,-.2817,6.043;-1.0956,1.2494,5.9537;-1.3602,.0118,4.2199;-.5296,.5302,3.6989;-2.2837,.5444,3.9205;-1.4618,-1.4323,3.7183;-1.5882,-1.4165,2.6158;-2.3793,-1.8828,4.1374;-.2785,-2.3374,4.0791;-.4634,-3.3388,3.6452;-.2507,-2.4747,5.1748;1.0741,-1.8251,3.5875;1.3538,-.8833,4.0913;1.8756,-2.5569,3.7937;1.0648,-1.6314,2.4972;-1.0097,-2.3311,7.3605;-2.2587,-.4562,6.584;-3.2963,-.184,6.3615;-3.257,-2.2772,7.617;.8706,.7018,10.8336;1.0391,1.0661,11.8648;1.6198,1.1838,10.1781;1.0741,-.3845,10.8186;-.5492,.9906,10.3551;-1.2835,.5151,11.0287;-.7427,2.0805,10.4094;-.8208,.4824,8.937;-.5883,-.5974,8.8801;-.1529,.9871,8.2143;-2.2818,.7117,8.5436;-3.1982,.3476,9.2797;-2.4293,1.5896,7.8584;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605752512597</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001387907946 0.000411201420 0.032153369288 0.008716940085</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036638883 -0.000285167 0.000429441 0.000607383 0.000706895 0.001130839 0.001426898 0.001699814 0.003154743 0.003313241 0.003723413 0.004982926 0.005545995 0.006079644 0.006847382 0.009380717 0.009810081 0.010058135 0.011821378 0.014125999 0.015085299 0.017750213 0.019711555 0.021759324 0.024649622 0.027523017 0.028703006 0.031086714 0.032063138 0.036676970 0.039124765 0.039796302 0.041028941 0.042208692 0.046302229 0.049764379 0.050944265 0.051332104 0.052272450 0.052808879 0.056040574 0.057573959 0.058834430 0.060098936 0.064013188 0.066669624 0.073720076 0.075311038 0.077317766 0.078299945 0.079247528 0.081529387 0.083237737 0.087550076 0.088918788 0.091464419 0.102699719 0.107799320 0.108409509 0.112386050 0.113974512 0.114952739 0.129143879 0.133708814 0.135444057 0.138832771 0.145508938 0.151975184 0.157968900 0.161870371 0.170755172 0.174191338 0.176993498 0.177950991 0.190162402 0.198697178 0.205326061 0.212819244 0.214535584 0.223130934 0.231316959 0.241451892 0.252652902 0.275857640 0.302618976 0.303656530 0.320114291 0.357094268 0.377499125 0.417149706 0.465666958 0.490277867 0.543105384 0.549660353 0.611522666 0.613938815 0.661709411 0.716928964 0.734956342 0.741761741 0.754581604 0.764982423 0.778506729 0.780424005 0.785656631 0.786862976 0.795331336 0.818567905 0.819167317 0.843761367 0.848788964 0.855946664 0.859523842 0.880673727 0.894498609 0.917756879 0.920574726 0.921485871 0.929382653 0.975167551 0.987919750 1.023738913 1.033678618 1.090558136 1.440509298 1.530549885</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">71</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83281732" y3="-4.04499041" z3="10.93017773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83703172" y3="-4.50937299" z3="10.97660066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.57929115" y3="-3.69818261" z3="11.94807907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.1125814" y3="-4.840769" z3="10.66014936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.79184332" y3="-2.89617333" z3="9.92653113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.78254503" y3="-2.45329134" z3="9.89810853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.47232024" y3="-2.07762802" z3="10.21303802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15005073" y3="-3.34748435" z3="8.51293675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14453135" y3="-3.83289581" z3="8.51585687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40294744" y3="-4.07857153" z3="8.15162368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07803723" y3="-1.72986926" z3="7.15367638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18196785" y3="0.16015404" z3="5.73904861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21395745" y3="-0.2799821" z3="6.04074787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.0999006" y3="1.2502542" z3="5.94894565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.36243441" y3="0.00979666" z3="4.21659407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.53255605" y3="0.52941246" z3="3.69526901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28706746" y3="0.54012543" z3="3.91585132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.46035014" y3="-1.43532192" z3="3.71689138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5871325" y3="-1.42131948" z3="2.61440408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.37669232" y3="-1.88778351" z3="4.13679351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27444053" y3="-2.33692291" z3="4.07857555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45645949" y3="-3.3392923" z3="3.64553319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2465906" y3="-2.47313228" z3="5.17442284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07689521" y3="-1.82122234" z3="3.58662774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35434687" y3="-0.87837139" z3="4.08985015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.8804494" y3="-2.55102505" z3="3.79316661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06707283" y3="-1.62804136" z3="2.4961458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01298926" y3="-2.3305249" z3="7.35504137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26211114" y3="-0.45520447" z3="6.58099798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.29962641" y3="-0.18230216" z3="6.35906087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25917116" y3="-2.27592165" z3="7.61601709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85955474" y3="0.68074689" z3="10.83985734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02325116" y3="1.03392018" z3="11.87535567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.6128805" y3="1.16880747" z3="10.19373214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.06214662" y3="-0.40537908" z3="10.81522703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55808905" y3="0.9759593" z3="10.35687437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29590911" y3="0.49507764" z3="11.02228436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75115251" y3="2.06514845" z3="10.4199179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82399591" y3="0.48104645" z3="8.93373131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58958199" y3="-0.59765089" z3="8.86831291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.154228" y3="0.99239242" z3="8.21790834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28391501" y3="0.7128087" z3="8.53742512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20196117" y3="0.35122599" z3="9.27253923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42868206" y3="1.59113749" z3="7.85244429">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8328,-4.045,10.9302;-3.837,-4.5094,10.9766;-2.5793,-3.6982,11.9481;-2.1126,-4.8408,10.6601;-2.7918,-2.8962,9.9265;-1.7825,-2.4533,9.8981;-3.4723,-2.0776,10.213;-3.1501,-3.3475,8.5129;-4.1445,-3.8329,8.5159;-2.4029,-4.0786,8.1516;-2.078,-1.7299,7.1537;-1.182,.1602,5.739;-.214,-.28,6.0407;-1.0999,1.2503,5.9489;-1.3624,.0098,4.2166;-.5326,.5294,3.6953;-2.2871,.5401,3.9159;-1.4604,-1.4353,3.7169;-1.5871,-1.4213,2.6144;-2.3767,-1.8878,4.1368;-.2744,-2.3369,4.0786;-.4565,-3.3393,3.6455;-.2466,-2.4731,5.1744;1.0769,-1.8212,3.5866;1.3543,-.8784,4.0899;1.8804,-2.551,3.7932;1.0671,-1.628,2.4961;-1.013,-2.3305,7.355;-2.2621,-.4552,6.581;-3.2996,-.1823,6.3591;-3.2592,-2.2759,7.616;.8596,.6807,10.8399;1.0233,1.0339,11.8754;1.6129,1.1688,10.1937;1.0621,-.4054,10.8152;-.5581,.976,10.3569;-1.2959,.4951,11.0223;-.7512,2.0651,10.4199;-.824,.481,8.9337;-.5896,-.5977,8.8683;-.1542,.9924,8.2179;-2.2839,.7128,8.5374;-3.202,.3512,9.2725;-2.4287,1.5911,7.8524;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605773445170</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000545049674 0.000132325630 0.024965544740 0.008715074544</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036608272 -0.000540300 0.000113843 0.000576131 0.000660742 0.001030906 0.001418809 0.001689091 0.003074686 0.003333018 0.003726116 0.004967236 0.005502018 0.006073282 0.006852305 0.009383972 0.009789247 0.010140683 0.011870955 0.014131028 0.015085854 0.017683785 0.019718160 0.021748190 0.024656865 0.027520204 0.028692057 0.031123512 0.032099291 0.036695314 0.039217116 0.039839691 0.041039640 0.042192578 0.046301587 0.049764771 0.050980079 0.051341697 0.052296235 0.052830748 0.056061431 0.057611184 0.058858505 0.059950889 0.064257438 0.066806229 0.073719986 0.075316582 0.077317188 0.078300507 0.079264601 0.081551607 0.083215834 0.087548882 0.088871036 0.091451951 0.102699478 0.107795426 0.108410850 0.112402092 0.113977813 0.114955301 0.129266155 0.133706608 0.135512841 0.138831801 0.145518899 0.151995600 0.157962078 0.161865318 0.170754941 0.174203941 0.177014467 0.177951498 0.190261440 0.198693633 0.205323384 0.212820397 0.214557341 0.223182408 0.231330160 0.241503317 0.252706367 0.276021870 0.302799010 0.304068636 0.320265965 0.357279592 0.377629734 0.417210073 0.465695844 0.490323751 0.543094948 0.549693821 0.611521247 0.613970305 0.661733872 0.716955489 0.734958660 0.741813114 0.754597195 0.764983249 0.778504008 0.780567759 0.785695532 0.786863976 0.795332163 0.818569287 0.819337667 0.843947290 0.848826201 0.855959639 0.859527314 0.880680012 0.894498453 0.917760344 0.920586254 0.921487065 0.929378343 0.975190332 0.987916140 1.023776244 1.033663063 1.090568483 1.440562173 1.530580516</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">72</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84249003" y3="-4.03614352" z3="10.9381002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.84573122" y3="-4.50577543" z3="10.98099846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.59562119" y3="-3.68549864" z3="11.95720222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.11638659" y3="-4.82824775" z3="10.67147282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.80237819" y3="-2.88862984" z3="9.93300448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.79482027" y3="-2.44041143" z3="9.90983183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.48775611" y3="-2.07115511" z3="10.21552925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15078777" y3="-3.34350727" z3="8.51864362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1409801" y3="-3.8376758" z3="8.51950488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39607997" y3="-4.06804918" z3="8.15959299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08230503" y3="-1.72923418" z3="7.15333425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18840002" y3="0.16022418" z3="5.73683396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21894326" y3="-0.27670995" z3="6.03876881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.10814294" y3="1.25114709" z3="5.94265049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37054634" y3="0.00364813" z3="4.21518541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.54579893" y3="0.52840196" z3="3.69031901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.30030629" y3="0.52543705" z3="3.91453975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45675121" y3="-1.44379622" z3="3.72019168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5870984" y3="-1.43423736" z3="2.61813637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36745847" y3="-1.9037267" z3="4.14434422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26101846" y3="-2.33293941" z3="4.08038131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.43356197" y3="-3.33752043" z3="3.64866751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.23035136" y3="-2.46784928" z3="5.1763121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08409122" y3="-1.80403886" z3="3.58505105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35371902" y3="-0.85839139" z3="4.08724199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89514644" y3="-2.52605951" z3="3.78974913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06982525" y3="-1.61106746" z3="2.49458745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0168301" y3="-2.3294696" z3="7.35213509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26684658" y3="-0.45387214" z3="6.58247769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30458303" y3="-0.18045327" z3="6.36203511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2619898" y3="-2.27646616" z3="7.6171216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.86484401" y3="0.66625663" z3="10.83114363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.03039679" y3="1.0111614" z3="11.86924563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.6154314" y3="1.1626063" z3="10.18712703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.07056669" y3="-0.41868348" z3="10.79596895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55451292" y3="0.96200536" z3="10.35408355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.28988565" y3="0.47291063" z3="11.01664958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75119384" y3="2.04937955" z3="10.42724385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82100708" y3="0.47739992" z3="8.92805846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58637373" y3="-0.6005684" z3="8.85668186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15150909" y3="0.99244192" z3="8.21492783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28115071" y3="0.71190241" z3="8.53401218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.19758694" y3="0.35254898" z3="9.2717651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42519904" y3="1.59209356" z3="7.85152047">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8425,-4.0361,10.9381;-3.8457,-4.5058,10.981;-2.5956,-3.6855,11.9572;-2.1164,-4.8282,10.6715;-2.8024,-2.8886,9.933;-1.7948,-2.4404,9.9098;-3.4878,-2.0712,10.2155;-3.1508,-3.3435,8.5186;-4.141,-3.8377,8.5195;-2.3961,-4.068,8.1596;-2.0823,-1.7292,7.1533;-1.1884,.1602,5.7368;-.2189,-.2767,6.0388;-1.1081,1.2511,5.9427;-1.3705,.0036,4.2152;-.5458,.5284,3.6903;-2.3003,.5254,3.9145;-1.4568,-1.4438,3.7202;-1.5871,-1.4342,2.6181;-2.3675,-1.9037,4.1443;-.261,-2.3329,4.0804;-.4336,-3.3375,3.6487;-.2304,-2.4678,5.1763;1.0841,-1.804,3.5851;1.3537,-.8584,4.0872;1.8951,-2.5261,3.7897;1.0698,-1.6111,2.4946;-1.0168,-2.3295,7.3521;-2.2668,-.4539,6.5825;-3.3046,-.1805,6.362;-3.262,-2.2765,7.6171;.8648,.6663,10.8311;1.0304,1.0112,11.8692;1.6154,1.1626,10.1871;1.0706,-.4187,10.796;-.5545,.962,10.3541;-1.2899,.4729,11.0166;-.7512,2.0494,10.4272;-.821,.4774,8.9281;-.5864,-.6006,8.8567;-.1515,.9924,8.2149;-2.2812,.7119,8.534;-3.1976,.3525,9.2718;-2.4252,1.5921,7.8515;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605770371366</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001803288960 0.000469407209 0.034493123502 0.008697479493</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036607688 -0.000220735 0.000260358 0.000590111 0.000761679 0.001061798 0.001419219 0.001688831 0.003082585 0.003332717 0.003735726 0.004966874 0.005502667 0.006073980 0.006853940 0.009385000 0.009789000 0.010138842 0.011872145 0.014134391 0.015086683 0.017718375 0.019741395 0.021752592 0.024662651 0.027537529 0.028693940 0.031132548 0.032112659 0.036699806 0.039256007 0.039860225 0.041045979 0.042192549 0.046301786 0.049764841 0.050985404 0.051343431 0.052308642 0.052844762 0.056065209 0.057612612 0.058876726 0.059955011 0.064347064 0.066820673 0.073721495 0.075317132 0.077322197 0.078301407 0.079270928 0.081557391 0.083218740 0.087550765 0.088895091 0.091454867 0.102699508 0.107799649 0.108414431 0.112402786 0.113978154 0.114958229 0.129265105 0.133707257 0.135527067 0.138833965 0.145523853 0.152005075 0.157986348 0.161865803 0.170757636 0.174251259 0.177015885 0.177951770 0.190279029 0.198699716 0.205324829 0.212824112 0.214564203 0.223195728 0.231351529 0.241520625 0.252716427 0.276022783 0.302921387 0.304079190 0.320283306 0.357286748 0.377636175 0.417212691 0.465789974 0.490331321 0.543096910 0.549695658 0.611533913 0.613974103 0.661737606 0.716997736 0.734959886 0.741813404 0.754597816 0.764983362 0.778506355 0.780643930 0.785726879 0.786864207 0.795332464 0.818569521 0.819337452 0.843954967 0.848826598 0.855994979 0.859528901 0.880683542 0.894500437 0.917761391 0.920727891 0.921488049 0.929535763 0.975217828 0.988035557 1.023853609 1.033824423 1.090578195 1.440650689 1.530617680</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">73</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83401756" y3="-4.02150769" z3="10.94255986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83889764" y3="-4.48250774" z3="10.99301283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.57823462" y3="-3.66984258" z3="11.957456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.11686335" y3="-4.82126732" z3="10.67735804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.79083991" y3="-2.87905119" z3="9.93161768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.78089717" y3="-2.43815661" z3="9.8994463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.46866456" y3="-2.05740519" z3="10.21282475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15127199" y3="-3.33910746" z3="8.52118559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14532203" y3="-3.82534217" z3="8.52684531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40389868" y3="-4.07120348" z3="8.16348593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08438441" y3="-1.72711423" z3="7.1517258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19472943" y3="0.16305232" z3="5.73225133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22349363" y3="-0.26863832" z3="6.03544572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1196373" y3="1.25494309" z3="5.93438769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.376941" y3="-0.00024639" z3="4.21136863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55583884" y3="0.52739658" z3="3.68438152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.30976117" y3="0.51507018" z3="3.90969633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45531225" y3="-1.45008025" z3="3.72125558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58617753" y3="-1.44491148" z3="2.61909544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36356304" y3="-1.91358497" z3="4.14704634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25452821" y3="-2.33180464" z3="4.08446821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.4216271" y3="-3.33891436" z3="3.65602677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22355801" y3="-2.46296546" z3="5.18090492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08796975" y3="-1.797311" z3="3.5877507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35233483" y3="-0.84848023" z3="4.08704916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90318369" y3="-2.51429019" z3="3.79486315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0728699" y3="-1.60795483" z3="2.49656192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01896645" y3="-2.32816586" z3="7.34854984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27002298" y3="-0.45083784" z3="6.58138884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30842128" y3="-0.17969252" z3="6.36183474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26329294" y3="-2.27074838" z3="7.62019751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85803933" y3="0.64310955" z3="10.83557926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02058179" y3="0.97666828" z3="11.87767253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61294957" y3="1.14235144" z3="10.19996431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.05977447" y3="-0.44275674" z3="10.79136503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55903985" y3="0.94839159" z3="10.35496421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29835372" y3="0.45560016" z3="11.00976644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75179851" y3="2.03654764" z3="10.43767594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8222183" y3="0.47924622" z3="8.9226255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58295538" y3="-0.59756153" z3="8.83844497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15321161" y3="1.00587657" z3="8.21661665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28268294" y3="0.71289962" z3="8.52642546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20128497" y3="0.354813" z3="9.26404314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42535677" y3="1.59487173" z3="7.84518701">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.834,-4.0215,10.9426;-3.8389,-4.4825,10.993;-2.5782,-3.6698,11.9575;-2.1169,-4.8213,10.6774;-2.7908,-2.8791,9.9316;-1.7809,-2.4382,9.8994;-3.4687,-2.0574,10.2128;-3.1513,-3.3391,8.5212;-4.1453,-3.8253,8.5268;-2.4039,-4.0712,8.1635;-2.0844,-1.7271,7.1517;-1.1947,.1631,5.7323;-.2235,-.2686,6.0354;-1.1196,1.2549,5.9344;-1.3769,-.0002,4.2114;-.5558,.5274,3.6844;-2.3098,.5151,3.9097;-1.4553,-1.4501,3.7213;-1.5862,-1.4449,2.6191;-2.3636,-1.9136,4.147;-.2545,-2.3318,4.0845;-.4216,-3.3389,3.656;-.2236,-2.463,5.1809;1.088,-1.7973,3.5878;1.3523,-.8485,4.087;1.9032,-2.5143,3.7949;1.0729,-1.608,2.4966;-1.019,-2.3282,7.3485;-2.27,-.4508,6.5814;-3.3084,-.1797,6.3618;-3.2633,-2.2707,7.6202;.858,.6431,10.8356;1.0206,.9767,11.8777;1.6129,1.1424,10.2;1.0598,-.4428,10.7914;-.559,.9484,10.355;-1.2984,.4556,11.0098;-.7518,2.0365,10.4377;-.8222,.4792,8.9226;-.583,-.5976,8.8384;-.1532,1.0059,8.2166;-2.2827,.7129,8.5264;-3.2013,.3548,9.264;-2.4254,1.5949,7.8452;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605783777894</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001007470520 0.000275778795 0.030285397631 0.008703809604</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036608456 -0.000136695 0.000258257 0.000592882 0.000789625 0.001063273 0.001419418 0.001688506 0.003105475 0.003332909 0.003750423 0.004965632 0.005508447 0.006076953 0.006854962 0.009385373 0.009789465 0.010138491 0.011873386 0.014140942 0.015087991 0.017734326 0.019779961 0.021762130 0.024671648 0.027563490 0.028697789 0.031149693 0.032134620 0.036703996 0.039331567 0.039879102 0.041054887 0.042192436 0.046301714 0.049765224 0.051008023 0.051344935 0.052334022 0.052881493 0.056069542 0.057614075 0.058906754 0.059967033 0.064487879 0.066867046 0.073724628 0.075318739 0.077327327 0.078301769 0.079275598 0.081556177 0.083212727 0.087557030 0.088933348 0.091454478 0.102700314 0.107805648 0.108420830 0.112403118 0.113978679 0.114958305 0.129268150 0.133707486 0.135564560 0.138835394 0.145534404 0.152013881 0.158019879 0.161865705 0.170759062 0.174284704 0.177016507 0.177952029 0.190313382 0.198698601 0.205330439 0.212829949 0.214575747 0.223206780 0.231430766 0.241539337 0.252750674 0.276022097 0.302913110 0.304109396 0.320303712 0.357283723 0.377636567 0.417215930 0.465823249 0.490332147 0.543096899 0.549695472 0.611533448 0.613976513 0.661737186 0.717006082 0.734960228 0.741815138 0.754598224 0.764983496 0.778553335 0.780699697 0.785730766 0.786864688 0.795333387 0.818569640 0.819336302 0.844039480 0.848834943 0.855999755 0.859542815 0.880695535 0.894501542 0.917762540 0.920814338 0.921492478 0.929682548 0.975237099 0.988124591 1.023933431 1.033851125 1.090583852 1.440769853 1.530641186</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">74</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.82373321" y3="-4.0037752" z3="10.95103057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83284572" y3="-4.45569955" z3="11.01419438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.555431" y3="-3.64661629" z3="11.96186318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.11570106" y3="-4.81072218" z3="10.683458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.78011234" y3="-2.86902835" z3="9.93241387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.76738058" y3="-2.43573276" z3="9.89200904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.45065387" y3="-2.03983245" z3="10.2132294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15125918" y3="-3.3340222" z3="8.5271031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14600125" y3="-3.81791631" z3="8.54521504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40904539" y3="-4.06991916" z3="8.16538802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0873738" y3="-1.72850246" z3="7.14785629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19755301" y3="0.16222333" z3="5.72871718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22576609" y3="-0.26816666" z3="6.03262047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12339104" y3="1.25443534" z3="5.92967364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37949497" y3="-0.00252103" z3="4.20810632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56013575" y3="0.52738287" z3="3.68046363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31404538" y3="0.50956267" z3="3.90634407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45336564" y3="-1.45284291" z3="3.71927131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58571814" y3="-1.44899361" z3="2.61747031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35917866" y3="-1.9194048" z3="4.14648162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2491819" y3="-2.32958937" z3="4.08144526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41283206" y3="-3.33707564" z3="3.65296353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21704905" y3="-2.46080375" z3="5.17763712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09063352" y3="-1.78966749" z3="3.58411693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3522156" y3="-0.84045715" z3="4.08396421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90849354" y3="-2.50351881" z3="3.78958902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07349667" y3="-1.59941248" z3="2.49339391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02140769" y3="-2.32900724" z3="7.34332413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27318635" y3="-0.45205913" z3="6.57802402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31168319" y3="-0.18040267" z3="6.35866632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26545916" y3="-2.27360091" z3="7.61742872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84623958" y3="0.62128214" z3="10.84247024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00337615" y3="0.94638288" z3="11.88825509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60780763" y3="1.12206769" z3="10.21555002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.04345942" y3="-0.46509022" z3="10.79165868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56625897" y3="0.93593936" z3="10.35585846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31217443" y3="0.44198864" z3="11.00299506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75486789" y3="2.02419224" z3="10.44430155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82407261" y3="0.4761045" z3="8.91975952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58555025" y3="-0.59973092" z3="8.83187369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15182534" y3="1.00482288" z3="8.21915882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28371009" y3="0.71327697" z3="8.52045904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20311556" y3="0.35901573" z3="9.25826941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42352327" y3="1.59482181" z3="7.83830066">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8237,-4.0038,10.951;-3.8328,-4.4557,11.0142;-2.5554,-3.6466,11.9619;-2.1157,-4.8107,10.6835;-2.7801,-2.869,9.9324;-1.7674,-2.4357,9.892;-3.4507,-2.0398,10.2132;-3.1513,-3.334,8.5271;-4.146,-3.8179,8.5452;-2.409,-4.0699,8.1654;-2.0874,-1.7285,7.1479;-1.1976,.1622,5.7287;-.2258,-.2682,6.0326;-1.1234,1.2544,5.9297;-1.3795,-.0025,4.2081;-.5601,.5274,3.6805;-2.314,.5096,3.9063;-1.4534,-1.4528,3.7193;-1.5857,-1.449,2.6175;-2.3592,-1.9194,4.1465;-.2492,-2.3296,4.0814;-.4128,-3.3371,3.653;-.217,-2.4608,5.1776;1.0906,-1.7897,3.5841;1.3522,-.8405,4.084;1.9085,-2.5035,3.7896;1.0735,-1.5994,2.4934;-1.0214,-2.329,7.3433;-2.2732,-.4521,6.578;-3.3117,-.1804,6.3587;-3.2655,-2.2736,7.6174;.8462,.6213,10.8425;1.0034,.9464,11.8883;1.6078,1.1221,10.2156;1.0435,-.4651,10.7917;-.5663,.9359,10.3559;-1.3122,.442,11.003;-.7549,2.0242,10.4443;-.8241,.4761,8.9198;-.5856,-.5997,8.8319;-.1518,1.0048,8.2192;-2.2837,.7133,8.5205;-3.2031,.359,9.2583;-2.4235,1.5948,7.8383;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605789551538</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001123085209 0.000248495207 0.032334260359 0.008688682778</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036611004 -0.000067824 0.000259486 0.000596662 0.000790120 0.001063769 0.001424428 0.001688253 0.003114220 0.003335970 0.003748202 0.004965261 0.005524411 0.006080508 0.006855574 0.009385994 0.009797962 0.010139304 0.011873459 0.014142886 0.015089442 0.017760395 0.019817496 0.021758286 0.024679476 0.027586116 0.028706905 0.031166941 0.032149905 0.036703953 0.039360630 0.039890468 0.041061486 0.042192485 0.046301712 0.049765161 0.051003842 0.051346243 0.052352906 0.052906919 0.056073303 0.057615096 0.058936717 0.059968599 0.064564042 0.066904753 0.073725179 0.075322900 0.077326775 0.078303613 0.079275904 0.081553988 0.083208847 0.087566746 0.088989111 0.091451429 0.102700805 0.107806352 0.108423441 0.112403484 0.113979220 0.114958404 0.129264302 0.133707136 0.135577128 0.138835810 0.145552710 0.152016764 0.158038228 0.161865226 0.170760846 0.174304543 0.177017124 0.177952143 0.190354891 0.198698770 0.205337607 0.212858051 0.214586640 0.223207904 0.231447435 0.241545985 0.252742941 0.276016380 0.302900878 0.304122037 0.320307054 0.357280236 0.377643537 0.417215821 0.465837158 0.490338823 0.543098456 0.549697160 0.611538435 0.613988796 0.661739257 0.717023148 0.734959972 0.741815172 0.754602909 0.764984164 0.778577298 0.780758628 0.785737462 0.786867639 0.795334662 0.818569608 0.819340814 0.844049171 0.848836480 0.856000603 0.859549441 0.880697420 0.894502600 0.917762712 0.920838684 0.921498191 0.929826893 0.975244669 0.988195319 1.023966519 1.033934798 1.090586288 1.440847506 1.530650131</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">75</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.81555282" y3="-3.98885473" z3="10.96036014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82823702" y3="-4.42979087" z3="11.03254946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53721192" y3="-3.62857971" z3="11.96635546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.11808732" y3="-4.80572707" z3="10.6946094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.76648311" y3="-2.8595267" z3="9.93480576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.74968122" y3="-2.43558599" z3="9.88631503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.42863602" y3="-2.02383544" z3="10.21312409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14980843" y3="-3.32957246" z3="8.53370975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14806015" y3="-3.80646819" z3="8.5584294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.41427432" y3="-4.07177872" z3="8.17172623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08979484" y3="-1.72812281" z3="7.14689534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20238856" y3="0.1622736" z3="5.72548505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2299544" y3="-0.26619424" z3="6.02964278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12982741" y3="1.25475993" z3="5.92490314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38384762" y3="-0.00460211" z3="4.20496352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56625153" y3="0.52815991" z3="3.67728708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32029547" y3="0.50385002" z3="3.90239566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45136804" y3="-1.45536779" z3="3.71636749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58270732" y3="-1.45220643" z3="2.61423619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35592524" y3="-1.92568254" z3="4.14280693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24346237" y3="-2.32708457" z3="4.07990228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40217804" y3="-3.33549833" z3="3.65152545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21229821" y3="-2.45786841" z3="5.17640068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09501385" y3="-1.78182783" z3="3.58364278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35145985" y3="-0.83055195" z3="4.08238351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91588326" y3="-2.49210976" z3="3.79198899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07932511" y3="-1.59331485" z3="2.49217627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02385404" y3="-2.32950478" z3="7.33860813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27634454" y3="-0.45084692" z3="6.57761412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31513733" y3="-0.18036207" z3="6.35883535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26611087" y3="-2.26978696" z3="7.62288637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83555544" y3="0.5976999" z3="10.84534952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99003143" y3="0.91404862" z3="11.89399281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60218652" y3="1.09903245" z3="10.22558196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.02725668" y3="-0.48939211" z3="10.787107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57342843" y3="0.92313717" z3="10.35524964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32297064" y3="0.42871281" z3="10.99649614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.757653" y3="2.01149715" z3="10.45055292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82722276" y3="0.47455225" z3="8.91512504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58610805" y3="-0.60068703" z3="8.81820519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15375322" y3="1.01044854" z3="8.22040385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28589604" y3="0.7130621" z3="8.51168597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20848301" y3="0.36243755" z3="9.24878687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4217806" y3="1.5964467" z3="7.83090411">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8156,-3.9889,10.9604;-3.8282,-4.4298,11.0325;-2.5372,-3.6286,11.9664;-2.1181,-4.8057,10.6946;-2.7665,-2.8595,9.9348;-1.7497,-2.4356,9.8863;-3.4286,-2.0238,10.2131;-3.1498,-3.3296,8.5337;-4.1481,-3.8065,8.5584;-2.4143,-4.0718,8.1717;-2.0898,-1.7281,7.1469;-1.2024,.1623,5.7255;-.23,-.2662,6.0296;-1.1298,1.2548,5.9249;-1.3838,-.0046,4.205;-.5663,.5282,3.6773;-2.3203,.5039,3.9024;-1.4514,-1.4554,3.7164;-1.5827,-1.4522,2.6142;-2.3559,-1.9257,4.1428;-.2435,-2.3271,4.0799;-.4022,-3.3355,3.6515;-.2123,-2.4579,5.1764;1.095,-1.7818,3.5836;1.3515,-.8306,4.0824;1.9159,-2.4921,3.792;1.0793,-1.5933,2.4922;-1.0239,-2.3295,7.3386;-2.2763,-.4508,6.5776;-3.3151,-.1804,6.3588;-3.2661,-2.2698,7.6229;.8356,.5977,10.8453;.99,.914,11.894;1.6022,1.099,10.2256;1.0273,-.4894,10.7871;-.5734,.9231,10.3552;-1.323,.4287,10.9965;-.7577,2.0115,10.4506;-.8272,.4746,8.9151;-.5861,-.6007,8.8182;-.1538,1.0104,8.2204;-2.2859,.7131,8.5117;-3.2085,.3624,9.2488;-2.4218,1.5964,7.8309;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605792078373</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000763937323 0.000211081878 0.029274367229 0.008733439358</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036611790 -0.000054497 0.000259547 0.000605562 0.000790946 0.001063842 0.001443805 0.001688212 0.003121380 0.003349547 0.003747500 0.004963455 0.005525843 0.006080246 0.006857253 0.009387120 0.009797416 0.010138235 0.011874108 0.014146088 0.015090590 0.017767396 0.019844660 0.021753646 0.024682121 0.027604709 0.028714206 0.031177819 0.032158164 0.036704622 0.039392785 0.039911791 0.041064374 0.042198805 0.046301924 0.049765341 0.051000725 0.051346321 0.052357880 0.052911329 0.056076959 0.057615139 0.058952039 0.059974433 0.064591044 0.066934812 0.073725242 0.075324071 0.077326761 0.078304711 0.079275603 0.081552819 0.083207112 0.087569003 0.089006352 0.091450376 0.102700666 0.107807440 0.108423320 0.112403418 0.113979551 0.114958922 0.129270233 0.133708609 0.135578498 0.138837034 0.145569673 0.152018665 0.158052317 0.161865116 0.170761203 0.174302014 0.177017074 0.177952285 0.190376976 0.198698825 0.205337811 0.212872781 0.214602408 0.223206567 0.231474161 0.241570018 0.252735409 0.276009596 0.302881169 0.304152603 0.320324517 0.357277307 0.377645660 0.417219464 0.465844000 0.490340492 0.543105611 0.549697975 0.611556831 0.613994449 0.661739141 0.717028732 0.734959995 0.741815207 0.754610080 0.764986190 0.778599658 0.780774422 0.785734755 0.786868117 0.795336048 0.818569674 0.819340110 0.844061558 0.848838367 0.856003968 0.859556235 0.880699661 0.894505086 0.917762806 0.920881398 0.921508194 0.929892902 0.975244762 0.988226663 1.023997578 1.033928535 1.090606727 1.440896629 1.530658449</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">76</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80519742" y3="-3.97129504" z3="10.96576099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82265812" y3="-4.40051651" z3="11.05023918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.51337892" y3="-3.60736343" z3="11.96769706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.11858997" y3="-4.79690549" z3="10.69795063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.75324145" y3="-2.84984635" z3="9.93272203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.73327968" y3="-2.4356166" z3="9.87634179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.40636751" y3="-2.00549488" z3="10.20929627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14864742" y3="-3.32440448" z3="8.53699542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1479387" y3="-3.79729903" z3="8.5727922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.41934522" y3="-4.07153673" z3="8.1721444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09063106" y3="-1.72774488" z3="7.14343358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.2043557" y3="0.16258796" z3="5.72133082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23119904" y3="-0.26407821" z3="6.02580337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13327212" y3="1.25549536" z3="5.91892778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38716756" y3="-0.00786137" z3="4.20156236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57287333" y3="0.5266878" z3="3.67117311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32589581" y3="0.49636962" z3="3.90007928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45031547" y3="-1.46005224" z3="3.7165196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5844437" y3="-1.46002108" z3="2.61499626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35158234" y3="-1.93276585" z3="4.14630551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23852503" y3="-2.32630846" z3="4.07872639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39365443" y3="-3.33559158" z3="3.65120568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20524752" y3="-2.45618526" z3="5.17500977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0962068" y3="-1.77541051" z3="3.58012431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35055488" y3="-0.82408222" z3="4.07968505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91999757" y3="-2.48248758" z3="3.78446262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0763189" y3="-1.58518792" z3="2.48964676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02437956" y3="-2.32880678" z3="7.33467033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27774763" y3="-0.45055104" z3="6.57428984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31667416" y3="-0.18020685" z3="6.35569084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26614494" y3="-2.2702393" z3="7.61987216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.82338282" y3="0.576409" z3="10.85382311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.97366514" y3="0.88559181" z3="11.90533853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59613718" y3="1.07751096" z3="10.24115881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.00991251" y3="-0.51110332" z3="10.7899899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58125167" y3="0.91185011" z3="10.35817876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.33782326" y3="0.41627925" z3="10.99180126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76055077" y3="2.00061739" z3="10.45964521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83001619" y3="0.47215344" z3="8.91427391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59011288" y3="-0.60228701" z3="8.81460461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15306571" y3="1.00929949" z3="8.22454148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28730595" y3="0.71466527" z3="8.50676709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21241186" y3="0.36728826" z3="9.24192382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41924548" y3="1.59783161" z3="7.82487099">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8052,-3.9713,10.9658;-3.8227,-4.4005,11.0502;-2.5134,-3.6074,11.9677;-2.1186,-4.7969,10.698;-2.7532,-2.8498,9.9327;-1.7333,-2.4356,9.8763;-3.4064,-2.0055,10.2093;-3.1486,-3.3244,8.537;-4.1479,-3.7973,8.5728;-2.4193,-4.0715,8.1721;-2.0906,-1.7277,7.1434;-1.2044,.1626,5.7213;-.2312,-.2641,6.0258;-1.1333,1.2555,5.9189;-1.3872,-.0079,4.2016;-.5729,.5267,3.6712;-2.3259,.4964,3.9001;-1.4503,-1.4601,3.7165;-1.5844,-1.46,2.615;-2.3516,-1.9328,4.1463;-.2385,-2.3263,4.0787;-.3937,-3.3356,3.6512;-.2052,-2.4562,5.175;1.0962,-1.7754,3.5801;1.3506,-.8241,4.0797;1.92,-2.4825,3.7845;1.0763,-1.5852,2.4896;-1.0244,-2.3288,7.3347;-2.2777,-.4506,6.5743;-3.3167,-.1802,6.3557;-3.2661,-2.2702,7.6199;.8234,.5764,10.8538;.9737,.8856,11.9053;1.5961,1.0775,10.2412;1.0099,-.5111,10.79;-.5813,.9119,10.3582;-1.3378,.4163,10.9918;-.7606,2.0006,10.4596;-.83,.4722,8.9143;-.5901,-.6023,8.8146;-.1531,1.0093,8.2245;-2.2873,.7147,8.5068;-3.2124,.3673,9.2419;-2.4192,1.5978,7.8249;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605790842440</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000912447290 0.000222240040 0.026557110029 0.008685021937</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036612058 -0.000058044 0.000135928 0.000494719 0.000688158 0.001075697 0.001474482 0.001672855 0.002859361 0.003241515 0.003732984 0.004955422 0.005547236 0.006073848 0.006794145 0.009390226 0.009711802 0.010080396 0.011871289 0.014150483 0.015106819 0.017195244 0.019816282 0.021747900 0.024661195 0.027642584 0.028725637 0.031193853 0.032162778 0.036690630 0.039192280 0.039928632 0.041064305 0.042226536 0.046303111 0.049765921 0.050996082 0.051346883 0.052362335 0.052918034 0.056081733 0.057613346 0.058896924 0.059228083 0.064715613 0.066932764 0.073724684 0.075328069 0.077332910 0.078301564 0.079282173 0.081561932 0.083178128 0.087573181 0.089006971 0.091422362 0.102700763 0.107802081 0.108423368 0.112402759 0.113979784 0.114958252 0.129226679 0.133723608 0.135478175 0.138842623 0.145578344 0.152041700 0.158061307 0.161863973 0.170762162 0.174295074 0.177012783 0.177953146 0.190380433 0.198676556 0.205354920 0.212892469 0.214632270 0.223210558 0.231194129 0.241566390 0.252733088 0.275982151 0.302702225 0.304092063 0.320284560 0.357265504 0.377645612 0.417220239 0.465816942 0.490334905 0.543110975 0.549690988 0.611580985 0.614002594 0.661727665 0.716996593 0.734957600 0.741814039 0.754615826 0.764988193 0.778579067 0.780765300 0.785711796 0.786865893 0.795336802 0.818567662 0.819323416 0.843971971 0.848827559 0.856001631 0.859554554 0.880696602 0.894507440 0.917760829 0.920893664 0.921502206 0.929907886 0.975234650 0.988234185 1.024005023 1.033386207 1.090578904 1.440904276 1.530658289</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">77</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.81688713" y3="-3.95730385" z3="10.97866055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83609371" y3="-4.38136516" z3="11.06026502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.52998289" y3="-3.58762205" z3="11.97871746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.13269003" y3="-4.78846794" z3="10.72221819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.75466069" y3="-2.8424262" z3="9.93825633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.73288319" y3="-2.43077625" z3="9.88493839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.40744755" y3="-1.99473672" z3="10.20443623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14441126" y3="-3.32461453" z3="8.54281729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14251919" y3="-3.80106161" z3="8.57719682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.41093038" y3="-4.0695068" z3="8.18227756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09152157" y3="-1.73066585" z3="7.14166048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.21119451" y3="0.16201844" z3="5.71834402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23586905" y3="-0.26062885" z3="6.02165648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1434026" y3="1.2554952" z3="5.91346175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39631572" y3="-0.01214396" z3="4.19908373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.58718532" y3="0.52862145" z3="3.666195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.34019558" y3="0.48394641" z3="3.89847255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44776995" y3="-1.46540139" z3="3.71568243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58432508" y3="-1.46755891" z3="2.61420169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34432753" y3="-1.94608106" z3="4.14776007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22675991" y3="-2.32016797" z3="4.07640475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.37289043" y3="-3.33124933" z3="3.64971761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.1911635" y3="-2.4493374" z3="5.17296701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10272896" y3="-1.75702474" z3="3.57533887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34780838" y3="-0.80181581" z3="4.07244566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.9341808" y3="-2.45593047" z3="3.7815473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08092228" y3="-1.56952446" z3="2.48363394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02449577" y3="-2.3316605" z3="7.32723134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.2807344" y3="-0.45167507" z3="6.57606229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32056875" y3="-0.18264592" z3="6.36010791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26530741" y3="-2.27285527" z3="7.62305462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.82486235" y3="0.56008741" z3="10.84975866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.97690989" y3="0.86626077" z3="11.90193999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59812896" y3="1.06074627" z3="10.23760417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.00860157" y3="-0.52780515" z3="10.78279923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57925161" y3="0.89982906" z3="10.35654838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.33495834" y3="0.40563708" z3="10.99037134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75640486" y3="1.9883477" z3="10.46037045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82883388" y3="0.46444633" z3="8.91171865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58974272" y3="-0.6105939" z3="8.80755094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15022731" y3="1.00355746" z3="8.22403738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2852733" y3="0.71030643" z3="8.50270752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21177434" y3="0.36694667" z3="9.23871884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41350554" y3="1.59578777" z3="7.82343397">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8169,-3.9573,10.9787;-3.8361,-4.3814,11.0603;-2.53,-3.5876,11.9787;-2.1327,-4.7885,10.7222;-2.7547,-2.8424,9.9383;-1.7329,-2.4308,9.8849;-3.4074,-1.9947,10.2044;-3.1444,-3.3246,8.5428;-4.1425,-3.8011,8.5772;-2.4109,-4.0695,8.1823;-2.0915,-1.7307,7.1417;-1.2112,.162,5.7183;-.2359,-.2606,6.0217;-1.1434,1.2555,5.9135;-1.3963,-.0121,4.1991;-.5872,.5286,3.6662;-2.3402,.4839,3.8985;-1.4478,-1.4654,3.7157;-1.5843,-1.4676,2.6142;-2.3443,-1.9461,4.1478;-.2268,-2.3202,4.0764;-.3729,-3.3312,3.6497;-.1912,-2.4493,5.173;1.1027,-1.757,3.5753;1.3478,-.8018,4.0724;1.9342,-2.4559,3.7815;1.0809,-1.5695,2.4836;-1.0245,-2.3317,7.3272;-2.2807,-.4517,6.5761;-3.3206,-.1826,6.3601;-3.2653,-2.2729,7.6231;.8249,.5601,10.8498;.9769,.8663,11.9019;1.5981,1.0607,10.2376;1.0086,-.5278,10.7828;-.5793,.8998,10.3565;-1.335,.4056,10.9904;-.7564,1.9883,10.4604;-.8288,.4644,8.9117;-.5897,-.6106,8.8076;-.1502,1.0036,8.224;-2.2853,.7103,8.5027;-3.2118,.3669,9.2387;-2.4135,1.5958,7.8234;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605790567686</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001035528843 0.000223594413 0.029029982398 0.008704237826</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036613362 0.000039788 0.000042805 0.000492081 0.000689612 0.001105823 0.001475427 0.001689874 0.002860077 0.003251742 0.003738281 0.004955792 0.005565922 0.006074190 0.006795246 0.009393384 0.009714330 0.010089638 0.011881918 0.014153152 0.015108850 0.017198213 0.019818549 0.021744949 0.024662242 0.027654822 0.028732468 0.031198641 0.032165507 0.036690879 0.039211885 0.039939028 0.041065131 0.042268944 0.046304587 0.049766368 0.051000417 0.051346673 0.052362661 0.052919650 0.056091703 0.057613088 0.058895683 0.059250371 0.064714771 0.066949636 0.073725029 0.075328088 0.077335356 0.078304901 0.079282360 0.081568685 0.083188248 0.087573494 0.089008492 0.091423005 0.102700666 0.107802506 0.108423917 0.112402936 0.113980105 0.114960302 0.129225743 0.133724979 0.135481390 0.138847640 0.145593077 0.152041282 0.158064418 0.161864430 0.170770708 0.174298587 0.177012971 0.177953372 0.190402306 0.198677189 0.205354547 0.212918136 0.214681290 0.223214542 0.231206197 0.241575020 0.252732147 0.275987914 0.302716623 0.304115789 0.320313275 0.357266601 0.377646171 0.417230777 0.465830937 0.490355202 0.543116944 0.549692882 0.611684953 0.614035446 0.661730808 0.717019205 0.734958910 0.741814918 0.754634743 0.764994050 0.778592721 0.780770931 0.785720245 0.786876065 0.795341479 0.818567579 0.819326807 0.843975101 0.848827359 0.856009158 0.859563247 0.880697023 0.894517133 0.917761300 0.920906741 0.921511975 0.929914033 0.975244064 0.988245508 1.024013524 1.033406609 1.090579808 1.440905792 1.530658677</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">78</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8320296" y3="-3.97012314" z3="10.97305657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.84782372" y3="-4.40539185" z3="11.04258538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55901287" y3="-3.60120523" z3="11.97821156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.13596858" y3="-4.79217143" z3="10.71933049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.77260284" y3="-2.85148898" z3="9.9374138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.75512122" y3="-2.429139" z3="9.89482275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.43586142" y3="-2.01146926" z3="10.20239568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14510479" y3="-3.33225344" z3="8.53726927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13939331" y3="-3.8168019" z3="8.56057323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40246293" y3="-4.07065649" z3="8.18180316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08793278" y3="-1.73247832" z3="7.14578989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.2091969" y3="0.1610215" z3="5.7219966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23348381" y3="-0.26164476" z3="6.02384956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.14151955" y3="1.25436267" z3="5.91819777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39632348" y3="-0.01195347" z3="4.20304952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.58856112" y3="0.5291306" z3="3.66902668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.34059332" y3="0.48401286" z3="3.90477219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44864923" y3="-1.46505307" z3="3.71951536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58666872" y3="-1.46722657" z3="2.61838038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34428681" y3="-1.94547593" z3="4.15294782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22757655" y3="-2.31994893" z3="4.07831523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.37440495" y3="-3.33071853" z3="3.65140985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.19023542" y3="-2.44958218" z3="5.17460109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10064523" y3="-1.75646601" z3="3.57556428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34768632" y3="-0.8027845" z3="4.07428812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.93187123" y3="-2.45587257" z3="3.77723512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07553217" y3="-1.56622834" z3="2.48500728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02060873" y3="-2.33117366" z3="7.33709132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27814988" y3="-0.45455019" z3="6.57879991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31819298" y3="-0.18674544" z3="6.3623047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2629671" y3="-2.27883696" z3="7.61942094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83882873" y3="0.57733342" z3="10.84347891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99609193" y3="0.89244945" z3="11.89204333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60897259" y3="1.07322486" z3="10.22340994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.0229715" y3="-0.5108279" z3="10.78505044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56809791" y3="0.91283499" z3="10.35348319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32211543" y3="0.42147329" z3="10.99315779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74500453" y3="2.00233839" z3="10.45072701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82405701" y3="0.4670871" z3="8.91280657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58687242" y3="-0.60851305" z3="8.8165245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14834477" y3="0.99969452" z3="8.21821736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28196075" y3="0.71095767" z3="8.50923782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20550576" y3="0.36600695" z3="9.24758571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41427028" y3="1.59424015" z3="7.82762482">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.832,-3.9701,10.9731;-3.8478,-4.4054,11.0426;-2.559,-3.6012,11.9782;-2.136,-4.7922,10.7193;-2.7726,-2.8515,9.9374;-1.7551,-2.4291,9.8948;-3.4359,-2.0115,10.2024;-3.1451,-3.3323,8.5373;-4.1394,-3.8168,8.5606;-2.4025,-4.0707,8.1818;-2.0879,-1.7325,7.1458;-1.2092,.161,5.722;-.2335,-.2616,6.0238;-1.1415,1.2544,5.9182;-1.3963,-.012,4.203;-.5886,.5291,3.669;-2.3406,.484,3.9048;-1.4486,-1.4651,3.7195;-1.5867,-1.4672,2.6184;-2.3443,-1.9455,4.1529;-.2276,-2.3199,4.0783;-.3744,-3.3307,3.6514;-.1902,-2.4496,5.1746;1.1006,-1.7565,3.5756;1.3477,-.8028,4.0743;1.9319,-2.4559,3.7772;1.0755,-1.5662,2.485;-1.0206,-2.3312,7.3371;-2.2781,-.4546,6.5788;-3.3182,-.1867,6.3623;-3.263,-2.2788,7.6194;.8388,.5773,10.8435;.9961,.8924,11.892;1.609,1.0732,10.2234;1.023,-.5108,10.7851;-.5681,.9128,10.3535;-1.3221,.4215,10.9932;-.745,2.0023,10.4507;-.8241,.4671,8.9128;-.5869,-.6085,8.8165;-.1483,.9997,8.2182;-2.282,.711,8.5092;-3.2055,.366,9.2476;-2.4143,1.5942,7.8276;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605793544051</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000676575390 0.000160350663 0.027977492444 0.008705233736</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036612238 -0.000192290 0.000250980 0.000496527 0.000689577 0.001115377 0.001476342 0.001694406 0.002860619 0.003261466 0.003739335 0.004960125 0.005589445 0.006076104 0.006794439 0.009394691 0.009723292 0.010107203 0.011885421 0.014151279 0.015108417 0.017202334 0.019817100 0.021748674 0.024662325 0.027660724 0.028736848 0.031202998 0.032167793 0.036691591 0.039210669 0.039939646 0.041065929 0.042287249 0.046305210 0.049766953 0.051010174 0.051346872 0.052363117 0.052924622 0.056091488 0.057613990 0.058896365 0.059247756 0.064716198 0.066960891 0.073725022 0.075328272 0.077336501 0.078305190 0.079283021 0.081576091 0.083199518 0.087574950 0.089013661 0.091432427 0.102700787 0.107802521 0.108424126 0.112403121 0.113980109 0.114960460 0.129229798 0.133726992 0.135489115 0.138849685 0.145604696 0.152042633 0.158064486 0.161865012 0.170771595 0.174302734 0.177013326 0.177953434 0.190408481 0.198677371 0.205356224 0.212927883 0.214688138 0.223214223 0.231205947 0.241576886 0.252740987 0.276002219 0.302753991 0.304132989 0.320323615 0.357277443 0.377653729 0.417235592 0.465851102 0.490367517 0.543128378 0.549694236 0.611697190 0.614040874 0.661731413 0.717032729 0.734959555 0.741815729 0.754638795 0.764995394 0.778595150 0.780785379 0.785725676 0.786882567 0.795343912 0.818567723 0.819328188 0.843980913 0.848828135 0.856010645 0.859563667 0.880698032 0.894518660 0.917761424 0.920919195 0.921515806 0.929954178 0.975244096 0.988260890 1.024029084 1.033424249 1.090590597 1.440919493 1.530666054</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">79</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8296508" y3="-3.98746249" z3="10.96322874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.84169397" y3="-4.43042995" z3="11.0288954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.5601295" y3="-3.62432786" z3="11.97041576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.12836365" y3="-4.80316667" z3="10.70457533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.77515906" y3="-2.86001475" z3="9.93593235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.75933557" y3="-2.43303422" z3="9.89453001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.44144394" y3="-2.02520261" z3="10.20737315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14712737" y3="-3.33256368" z3="8.53277797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14226729" y3="-3.81595936" z3="8.55231638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40470645" y3="-4.06931823" z3="8.17425794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08876461" y3="-1.73003941" z3="7.14557864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20440037" y3="0.1622724" z3="5.72523898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23079403" y3="-0.2643434" z3="6.02854364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13348711" y3="1.2550672" z3="5.92350697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38800647" y3="-0.00704682" z3="4.20516548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57362071" y3="0.52813885" z3="3.67492696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32716883" y3="0.49724338" z3="3.90388043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45072757" y3="-1.45880813" z3="3.718886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58551874" y3="-1.45796327" z3="2.61725771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35177218" y3="-1.93244657" z3="4.14882655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23788438" y3="-2.32450532" z3="4.0798479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39271404" y3="-3.33386353" z3="3.65232945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20363877" y3="-2.45464281" z3="5.17629728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09650764" y3="-1.77290215" z3="3.58000612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34967031" y3="-0.82046178" z3="4.07825419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92143414" y3="-2.47925646" z3="3.78593367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07685762" y3="-1.58432078" z3="2.48854103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02213055" y3="-2.33081573" z3="7.33533807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27654107" y3="-0.45202305" z3="6.57890256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31580385" y3="-0.18163337" z3="6.36184149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26492144" y3="-2.27391472" z3="7.62088435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84302029" y3="0.60004786" z3="10.84113587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.0003706" y3="0.92042694" z3="11.88834931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60744142" y3="1.09893963" z3="10.21678215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.03473135" y3="-0.48714314" z3="10.78602389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56698874" y3="0.92314232" z3="10.35490204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.3141351" y3="0.43179035" z3="11.00055673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75110394" y3="2.01149731" z3="10.44670613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82447474" y3="0.46945818" z3="8.91710502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58652345" y3="-0.60672926" z3="8.82379699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15054111" y3="1.00114357" z3="8.21947477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28312096" y3="0.71030186" z3="8.51517607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20516959" y3="0.36000269" z3="9.25278986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41856517" y3="1.59425433" z3="7.83528353">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8297,-3.9875,10.9632;-3.8417,-4.4304,11.0289;-2.5601,-3.6243,11.9704;-2.1284,-4.8032,10.7046;-2.7752,-2.86,9.9359;-1.7593,-2.433,9.8945;-3.4414,-2.0252,10.2074;-3.1471,-3.3326,8.5328;-4.1423,-3.816,8.5523;-2.4047,-4.0693,8.1743;-2.0888,-1.73,7.1456;-1.2044,.1623,5.7252;-.2308,-.2643,6.0285;-1.1335,1.2551,5.9235;-1.388,-.007,4.2052;-.5736,.5281,3.6749;-2.3272,.4972,3.9039;-1.4507,-1.4588,3.7189;-1.5855,-1.458,2.6173;-2.3518,-1.9324,4.1488;-.2379,-2.3245,4.0798;-.3927,-3.3339,3.6523;-.2036,-2.4546,5.1763;1.0965,-1.7729,3.58;1.3497,-.8205,4.0783;1.9214,-2.4793,3.7859;1.0769,-1.5843,2.4885;-1.0221,-2.3308,7.3353;-2.2765,-.452,6.5789;-3.3158,-.1816,6.3618;-3.2649,-2.2739,7.6209;.843,.6,10.8411;1.0004,.9204,11.8883;1.6074,1.0989,10.2168;1.0347,-.4871,10.786;-.567,.9231,10.3549;-1.3141,.4318,11.0006;-.7511,2.0115,10.4467;-.8245,.4695,8.9171;-.5865,-.6067,8.8238;-.1505,1.0011,8.2195;-2.2831,.7103,8.5152;-3.2052,.36,9.2528;-2.4186,1.5943,7.8353;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605793859684</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000952104607 0.000239023790 0.031568328140 0.008677323818</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036612535 -0.000054905 0.000214549 0.000491501 0.000695062 0.001191820 0.001487751 0.001697618 0.002855583 0.003279015 0.003747129 0.004968324 0.005586908 0.006085264 0.006794517 0.009396499 0.009710467 0.010106061 0.011904298 0.014148355 0.015107883 0.017190354 0.019838215 0.021753030 0.024669527 0.027669643 0.028747545 0.031209861 0.032171380 0.036691977 0.039209772 0.039941320 0.041067470 0.042348645 0.046305941 0.049767954 0.051052478 0.051347592 0.052363124 0.052926513 0.056090466 0.057614955 0.058900280 0.059246218 0.064719099 0.066979906 0.073725382 0.075328567 0.077340879 0.078305641 0.079283074 0.081599573 0.083213544 0.087576516 0.089015275 0.091441493 0.102700976 0.107802469 0.108425332 0.112403053 0.113980513 0.114961151 0.129231993 0.133733512 0.135492803 0.138852096 0.145640646 0.152050762 0.158069752 0.161865403 0.170772385 0.174304884 0.177016556 0.177953736 0.190425681 0.198677738 0.205361590 0.212945230 0.214687743 0.223217341 0.231216454 0.241586355 0.252765680 0.276007761 0.302758757 0.304147474 0.320321024 0.357272387 0.377670475 0.417253658 0.465889759 0.490384985 0.543160503 0.549699145 0.611803434 0.614055571 0.661731867 0.717062322 0.734961129 0.741815675 0.754643683 0.764997206 0.778596865 0.780789734 0.785726775 0.786899139 0.795349882 0.818567940 0.819342258 0.843976549 0.848827691 0.856041871 0.859568325 0.880723012 0.894518630 0.917761521 0.920971139 0.921528331 0.929969736 0.975260571 0.988270484 1.024077691 1.033427538 1.090596201 1.440921158 1.530672370</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">80</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83655765" y3="-4.00395301" z3="10.95474759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8465472" y3="-4.45505509" z3="11.01176073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.574968" y3="-3.64517066" z3="11.96653216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.12709624" y3="-4.81250452" z3="10.69417899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7860369" y3="-2.87091511" z3="9.93407304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.77321421" y3="-2.43679626" z3="9.89957278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.45889864" y3="-2.04169246" z3="10.2084464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14798771" y3="-3.3394975" z3="8.52739016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14121722" y3="-3.82690487" z3="8.53936074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40107293" y3="-4.07328668" z3="8.17133331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08359146" y3="-1.73150985" z3="7.15059309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19912665" y3="0.16075719" z3="5.72925971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22610946" y3="-0.26803681" z3="6.0307651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12632273" y3="1.25293772" z3="5.93058142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.3839554" y3="-0.00346018" z3="4.20906456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56774905" y3="0.52986236" z3="3.68017249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32090675" y3="0.50545186" z3="3.90985867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45343631" y3="-1.45357345" z3="3.71900727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58650516" y3="-1.44923574" z3="2.61715631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35752067" y3="-1.92362095" z3="4.14651584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24563766" y3="-2.32637649" z3="4.07971147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40576792" y3="-3.33420447" z3="3.65063809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2123557" y3="-2.4583419" z3="5.17590428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09204174" y3="-1.78115961" z3="3.58159626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35009239" y3="-0.83085835" z3="4.08124145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91295249" y3="-2.49190216" z3="3.78665266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07362279" y3="-1.5908545" z3="2.49074624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01717749" y3="-2.33054219" z3="7.34720149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27182749" y3="-0.45510478" z3="6.58064996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31100169" y3="-0.18599242" z3="6.36208697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26117953" y3="-2.27809265" z3="7.61865283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85162681" y3="0.62059652" z3="10.83981151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01319771" y3="0.95199527" z3="11.88247562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61538602" y3="1.11229683" z3="10.20829277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.04187022" y3="-0.46716541" z3="10.79616705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56021197" y3="0.94135805" z3="10.35244995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30852644" y3="0.45428498" z3="11.0028606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74217302" y3="2.03138655" z3="10.43540186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82229494" y3="0.47481154" z3="8.91924256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58564212" y3="-0.60194381" z3="8.83608824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15090082" y3="0.99854071" z3="8.21422885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28205619" y3="0.7115973" z3="8.52127671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20145149" y3="0.35840707" z3="9.26012819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42212718" y3="1.59285523" z3="7.83849688">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8366,-4.004,10.9547;-3.8465,-4.4551,11.0118;-2.575,-3.6452,11.9665;-2.1271,-4.8125,10.6942;-2.786,-2.8709,9.9341;-1.7732,-2.4368,9.8996;-3.4589,-2.0417,10.2084;-3.148,-3.3395,8.5274;-4.1412,-3.8269,8.5394;-2.4011,-4.0733,8.1713;-2.0836,-1.7315,7.1506;-1.1991,.1608,5.7293;-.2261,-.268,6.0308;-1.1263,1.2529,5.9306;-1.384,-.0035,4.2091;-.5677,.5299,3.6802;-2.3209,.5055,3.9099;-1.4534,-1.4536,3.719;-1.5865,-1.4492,2.6172;-2.3575,-1.9236,4.1465;-.2456,-2.3264,4.0797;-.4058,-3.3342,3.6506;-.2124,-2.4583,5.1759;1.092,-1.7812,3.5816;1.3501,-.8309,4.0812;1.913,-2.4919,3.7867;1.0736,-1.5909,2.4907;-1.0172,-2.3305,7.3472;-2.2718,-.4551,6.5806;-3.311,-.186,6.3621;-3.2612,-2.2781,7.6187;.8516,.6206,10.8398;1.0132,.952,11.8825;1.6154,1.1123,10.2083;1.0419,-.4672,10.7962;-.5602,.9414,10.3524;-1.3085,.4543,11.0029;-.7422,2.0314,10.4354;-.8223,.4748,8.9192;-.5856,-.6019,8.8361;-.1509,.9985,8.2142;-2.2821,.7116,8.5213;-3.2015,.3584,9.2601;-2.4221,1.5929,7.8385;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605793185466</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000720723568 0.000226939041 0.034532339212 0.008704006612</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036616344 -0.000180622 0.000133581 0.000493299 0.000695136 0.001225440 0.001491091 0.001698205 0.002878217 0.003315258 0.003785947 0.004961884 0.005588989 0.006091367 0.006791594 0.009395711 0.009707421 0.010130507 0.011923294 0.014146171 0.015105646 0.017102621 0.019848317 0.021758424 0.024668131 0.027678367 0.028765287 0.031218545 0.032174217 0.036695669 0.039220436 0.039949775 0.041068547 0.042407317 0.046305977 0.049767937 0.051138540 0.051348786 0.052364002 0.052927820 0.056087885 0.057617560 0.058840618 0.059207390 0.064777672 0.067000706 0.073728978 0.075331776 0.077347092 0.078306002 0.079285807 0.081605066 0.083220007 0.087577726 0.089002044 0.091443331 0.102701148 0.107802423 0.108425500 0.112402664 0.113981198 0.114961239 0.129214547 0.133755660 0.135524184 0.138853296 0.145678794 0.152057588 0.158078103 0.161867169 0.170774200 0.174307804 0.177020267 0.177957232 0.190448505 0.198676511 0.205361730 0.212964022 0.214689287 0.223217748 0.231215065 0.241591874 0.252806621 0.276027876 0.302761725 0.304177389 0.320356960 0.357275747 0.377684950 0.417259237 0.465940769 0.490416228 0.543188490 0.549698077 0.611875340 0.614080877 0.661735575 0.717082814 0.734962740 0.741815948 0.754646023 0.764997566 0.778605006 0.780795373 0.785725346 0.786917446 0.795351613 0.818569110 0.819356625 0.843995299 0.848830187 0.856073003 0.859569735 0.880758496 0.894519196 0.917761104 0.921026613 0.921534601 0.929987793 0.975270658 0.988275785 1.024106923 1.033412114 1.090601913 1.440924876 1.530673832</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">81</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85806963" y3="-4.010832" z3="10.95770243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86659176" y3="-4.46436233" z3="11.00392502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.60950034" y3="-3.64978405" z3="11.97176497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.14370039" y3="-4.81745891" z3="10.70643145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.79888927" y3="-2.8783198" z3="9.93687113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.78739474" y3="-2.44066867" z3="9.9146757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.47756258" y3="-2.05176625" z3="10.20330072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14463618" y3="-3.34610275" z3="8.52517863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13377417" y3="-3.84176555" z3="8.52705214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.38776205" y3="-4.07117727" z3="8.17298045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08329903" y3="-1.73451095" z3="7.15009955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20079772" y3="0.1599653" z3="5.73162391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22717538" y3="-0.26887115" z3="6.03230823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12831378" y3="1.2521628" z3="5.93335651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38684727" y3="-0.00440069" z3="4.21124958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57268555" y3="0.53115649" z3="3.68094619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32596596" y3="0.50197356" z3="3.91304362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45229835" y3="-1.45504239" z3="3.72174856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58851064" y3="-1.45161486" z3="2.62040679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35316135" y3="-1.92835594" z3="4.15200447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24017431" y3="-2.32319557" z3="4.07909108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39670116" y3="-3.33120179" z3="3.64895097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20445946" y3="-2.45644397" z3="5.17506319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09391945" y3="-1.77137163" z3="3.57901291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35012527" y3="-0.82185991" z3="4.08116794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91796189" y3="-2.47979908" z3="3.77891492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07139879" y3="-1.57724537" z3="2.48906348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0160006" y3="-2.33288212" z3="7.34354925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27266052" y3="-0.4572536" z3="6.58352361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31224796" y3="-0.18750991" z3="6.36668726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26068617" y3="-2.28382756" z3="7.61771774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.86408477" y3="0.63247568" z3="10.82932806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.03230341" y3="0.9748338" z3="11.86817264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.62335817" y3="1.11552734" z3="10.18663844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.05245418" y3="-0.45628527" z3="10.79550918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.54948136" y3="0.94899637" z3="10.34963103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29197518" y3="0.47215208" z3="11.01151198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73004293" y3="2.03964367" z3="10.42148368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.81971828" y3="0.46802906" z3="8.92273667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58876234" y3="-0.61108668" z3="8.84852673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14785546" y3="0.98270093" z3="8.21054406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.27936824" y3="0.70844182" z3="8.52718216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.19845975" y3="0.35613332" z3="9.26669585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41843787" y3="1.59019113" z3="7.84499995">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8581,-4.0108,10.9577;-3.8666,-4.4644,11.0039;-2.6095,-3.6498,11.9718;-2.1437,-4.8175,10.7064;-2.7989,-2.8783,9.9369;-1.7874,-2.4407,9.9147;-3.4776,-2.0518,10.2033;-3.1446,-3.3461,8.5252;-4.1338,-3.8418,8.5271;-2.3878,-4.0712,8.173;-2.0833,-1.7345,7.1501;-1.2008,.16,5.7316;-.2272,-.2689,6.0323;-1.1283,1.2522,5.9334;-1.3868,-.0044,4.2112;-.5727,.5312,3.6809;-2.326,.502,3.913;-1.4523,-1.455,3.7217;-1.5885,-1.4516,2.6204;-2.3532,-1.9284,4.152;-.2402,-2.3232,4.0791;-.3967,-3.3312,3.649;-.2045,-2.4564,5.1751;1.0939,-1.7714,3.579;1.3501,-.8219,4.0812;1.918,-2.4798,3.7789;1.0714,-1.5772,2.4891;-1.016,-2.3329,7.3435;-2.2727,-.4573,6.5835;-3.3122,-.1875,6.3667;-3.2607,-2.2838,7.6177;.8641,.6325,10.8293;1.0323,.9748,11.8682;1.6234,1.1155,10.1866;1.0525,-.4563,10.7955;-.5495,.949,10.3496;-1.292,.4722,11.0115;-.73,2.0396,10.4215;-.8197,.468,8.9227;-.5888,-.6111,8.8485;-.1479,.9827,8.2105;-2.2794,.7084,8.5272;-3.1985,.3561,9.2667;-2.4184,1.5902,7.845;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605790739649</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000883228310 0.000236461593 0.032157062542 0.008672318492</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036616174 0.000014580 0.000134583 0.000493744 0.000697379 0.001236292 0.001491934 0.001718880 0.002884693 0.003327846 0.003832691 0.004962318 0.005587991 0.006093564 0.006792034 0.009395897 0.009714946 0.010137270 0.011938201 0.014157106 0.015111608 0.017103809 0.019876040 0.021761702 0.024672638 0.027683366 0.028785540 0.031223996 0.032173937 0.036704860 0.039221335 0.039950910 0.041069925 0.042464789 0.046306023 0.049768051 0.051206224 0.051352484 0.052364179 0.052928083 0.056089051 0.057617813 0.058868866 0.059211051 0.064798562 0.067011695 0.073733426 0.075334271 0.077352953 0.078308723 0.079289688 0.081606507 0.083237018 0.087577516 0.089009757 0.091445447 0.102701233 0.107803708 0.108426134 0.112407092 0.113982651 0.114961945 0.129217839 0.133776532 0.135552250 0.138853667 0.145736519 0.152065639 0.158081537 0.161869740 0.170781443 0.174326359 0.177036636 0.177965578 0.190455586 0.198677108 0.205369895 0.212972701 0.214701884 0.223219288 0.231222771 0.241593148 0.252810350 0.276042486 0.302773212 0.304189009 0.320382707 0.357297126 0.377707241 0.417267138 0.465985148 0.490425734 0.543240267 0.549699114 0.611991368 0.614096040 0.661740155 0.717085942 0.734964282 0.741829664 0.754646873 0.764998216 0.778607225 0.780812528 0.785745653 0.786932699 0.795352489 0.818578618 0.819442913 0.843997270 0.848830129 0.856159084 0.859570854 0.880814038 0.894519562 0.917762396 0.921106763 0.921536802 0.930003599 0.975299711 0.988281808 1.024123921 1.033414959 1.090614767 1.440927861 1.530684450</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">82</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84348336" y3="-3.9957861" z3="10.9619492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.85503406" y3="-4.44175284" z3="11.01915599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.58267375" y3="-3.63305343" z3="11.97222215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.13734953" y3="-4.80866291" z3="10.70722763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.78573936" y3="-2.86763874" z3="9.93628521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.77160417" y3="-2.43682643" z3="9.9037531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.45698177" y3="-2.03545902" z3="10.20440536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14534162" y3="-3.33963829" z3="8.52995301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13739094" y3="-3.82904393" z3="8.54195413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39630113" y3="-4.0716756" z3="8.17534934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08494304" y3="-1.73305323" z3="7.14843721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20318999" y3="0.1606828" z3="5.72775387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22911252" y3="-0.26616904" z3="6.02911528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13223113" y3="1.2532081" z3="5.92778088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38886996" y3="-0.00615202" z3="4.20779981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57586883" y3="0.53043911" z3="3.67708294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32879738" y3="0.497876" z3="3.90903744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.4514372" y3="-1.45730621" z3="3.71971988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58688791" y3="-1.45514439" z3="2.61822574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35187933" y3="-1.93179641" z3="4.14973619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2380827" y3="-2.32297606" z3="4.07884221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39270878" y3="-3.33173197" z3="3.6499032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20299585" y3="-2.45478259" z3="5.17500043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09558272" y3="-1.76979431" z3="3.57904246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34924453" y3="-0.81860365" z3="4.07925091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92077534" y3="-2.47617137" z3="3.7818286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07421414" y3="-1.57840267" z3="2.488472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01787081" y3="-2.33193356" z3="7.34136121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27434838" y3="-0.45574178" z3="6.58096927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31397189" y3="-0.186669" z3="6.36401271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26145187" y3="-2.28031165" z3="7.61897081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85211848" y3="0.61173086" z3="10.8368031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.0148497" y3="0.94267673" z3="11.87968203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61601902" y3="1.1012531" z3="10.2043352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.03987038" y3="-0.47649335" z3="10.79262859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55879822" y3="0.93512253" z3="10.35166536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30646612" y3="0.45086753" z3="11.00341737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73881365" y3="2.02516201" z3="10.43445099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82213372" y3="0.46904263" z3="8.91877616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58764812" y3="-0.60828274" z3="8.83532255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14919824" y3="0.99172139" z3="8.21409361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28120699" y3="0.70958302" z3="8.51988712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.2018828" y3="0.35915663" z3="9.25866931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41834101" y3="1.59191815" z3="7.8380433">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8435,-3.9958,10.9619;-3.855,-4.4418,11.0192;-2.5827,-3.6331,11.9722;-2.1373,-4.8087,10.7072;-2.7857,-2.8676,9.9363;-1.7716,-2.4368,9.9038;-3.457,-2.0355,10.2044;-3.1453,-3.3396,8.53;-4.1374,-3.829,8.542;-2.3963,-4.0717,8.1753;-2.0849,-1.7331,7.1484;-1.2032,.1607,5.7278;-.2291,-.2662,6.0291;-1.1322,1.2532,5.9278;-1.3889,-.0062,4.2078;-.5759,.5304,3.6771;-2.3288,.4979,3.909;-1.4514,-1.4573,3.7197;-1.5869,-1.4551,2.6182;-2.3519,-1.9318,4.1497;-.2381,-2.323,4.0788;-.3927,-3.3317,3.6499;-.203,-2.4548,5.175;1.0956,-1.7698,3.579;1.3492,-.8186,4.0793;1.9208,-2.4762,3.7818;1.0742,-1.5784,2.4885;-1.0179,-2.3319,7.3414;-2.2743,-.4557,6.581;-3.314,-.1867,6.364;-3.2615,-2.2803,7.619;.8521,.6117,10.8368;1.0148,.9427,11.8797;1.616,1.1013,10.2043;1.0399,-.4765,10.7926;-.5588,.9351,10.3517;-1.3065,.4509,11.0034;-.7388,2.0252,10.4345;-.8221,.469,8.9188;-.5876,-.6083,8.8353;-.1492,.9917,8.2141;-2.2812,.7096,8.5199;-3.2019,.3592,9.2587;-2.4183,1.5919,7.838;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605798085357</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000285503249 0.000057796717 0.020163144409 0.005970775182</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001576164201 0.001050776134</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036616895 0.000081617 0.000168327 0.000493077 0.000697091 0.001233522 0.001491586 0.001721030 0.002882191 0.003332297 0.003850403 0.004961281 0.005585087 0.006095388 0.006792632 0.009395964 0.009712689 0.010137168 0.011948812 0.014161999 0.015113672 0.017094040 0.019895283 0.021757671 0.024676166 0.027687913 0.028796572 0.031226992 0.032173442 0.036708741 0.039221555 0.039950167 0.041070568 0.042505817 0.046306174 0.049767985 0.051237206 0.051355483 0.052364024 0.052927650 0.056089252 0.057616962 0.058879985 0.059208113 0.064800757 0.067019194 0.073734964 0.075334363 0.077355077 0.078310175 0.079289868 0.081605186 0.083227532 0.087577230 0.089012359 0.091447330 0.102701101 0.107804293 0.108426348 0.112408162 0.113983160 0.114962208 0.129212849 0.133783251 0.135555222 0.138853301 0.145768816 0.152069475 0.158082662 0.161869763 0.170784965 0.174327397 0.177042675 0.177968151 0.190458435 0.198676199 0.205370286 0.212978482 0.214704227 0.223218472 0.231229939 0.241593192 0.252812410 0.276040237 0.302746827 0.304177846 0.320377150 0.357294884 0.377714398 0.417271045 0.466016000 0.490439799 0.543270599 0.549699939 0.612054827 0.614118509 0.661743227 0.717084498 0.734964624 0.741836357 0.754646689 0.764998163 0.778606797 0.780807226 0.785745434 0.786943887 0.795352412 0.818581408 0.819474341 0.844003572 0.848830528 0.856186995 0.859571168 0.880827751 0.894519660 0.917762802 0.921146287 0.921539000 0.930000008 0.975306447 0.988280633 1.024133367 1.033420966 1.090628067 1.440934087 1.530691406</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">83</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83847706" y3="-3.98366583" z3="10.96816668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.85309369" y3="-4.42199085" z3="11.0321066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.57046332" y3="-3.61810619" z3="11.97546903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.13942745" y3="-4.80302175" z3="10.71414372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.77708477" y3="-2.86048799" z3="9.93706832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.76021251" y3="-2.43591828" z3="9.89899958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.44262274" y3="-2.0230109" z3="10.20323597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14412295" y3="-3.33684515" z3="8.53391465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13783346" y3="-3.82313264" z3="8.55203936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39894302" y3="-4.07255176" z3="8.17846377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08567177" y3="-1.73382552" z3="7.1467123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.2054841" y3="0.16025867" z3="5.72507643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23078115" y3="-0.26510881" z3="6.02645901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13583183" y3="1.25299639" z3="5.92422864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39152211" y3="-0.00795677" z3="4.2053664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.58026185" y3="0.53055874" z3="3.67394377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3329491" y3="0.49335883" z3="3.90681666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45030387" y3="-1.45949575" z3="3.7180425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58664224" y3="-1.45828361" z3="2.6166737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3490224" y3="-1.93644649" z3="4.14895858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23410661" y3="-2.32130898" z3="4.07661766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38584232" y3="-3.33064104" z3="3.64802739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.19816002" y3="-2.45273513" z3="5.17276455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09754896" y3="-1.76414296" z3="3.57594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34858799" y3="-0.81204676" z3="4.07575854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92500529" y3="-2.46795623" z3="3.77844725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07502341" y3="-1.5730892" z3="2.48532036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01845932" y3="-2.33290721" z3="7.3381085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27567377" y3="-0.45630342" z3="6.57943585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31553669" y3="-0.18780093" z3="6.3630011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26143557" y3="-2.28012937" z3="7.61988231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84459783" y3="0.59666457" z3="10.84167274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00464251" y3="0.92251359" z3="11.88661434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61246877" y3="1.086678" z3="10.21416531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.02914663" y3="-0.49199396" z3="10.79361023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56387165" y3="0.92627088" z3="10.35286156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31508868" y3="0.44114637" z3="10.99989189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74117024" y3="2.0164456" z3="10.43987896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82379119" y3="0.46727105" z3="8.91699364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58848195" y3="-0.6096498" z3="8.82871296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14929153" y3="0.9935978" z3="8.2162617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28216938" y3="0.70925726" z3="8.51546924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20451412" y3="0.36110221" z3="9.25356206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41703873" y3="1.59182062" z3="7.83348903">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8385,-3.9837,10.9682;-3.8531,-4.422,11.0321;-2.5705,-3.6181,11.9755;-2.1394,-4.803,10.7141;-2.7771,-2.8605,9.9371;-1.7602,-2.4359,9.899;-3.4426,-2.023,10.2032;-3.1441,-3.3368,8.5339;-4.1378,-3.8231,8.552;-2.3989,-4.0726,8.1785;-2.0857,-1.7338,7.1467;-1.2055,.1603,5.7251;-.2308,-.2651,6.0265;-1.1358,1.253,5.9242;-1.3915,-.008,4.2054;-.5803,.5306,3.6739;-2.3329,.4934,3.9068;-1.4503,-1.4595,3.718;-1.5866,-1.4583,2.6167;-2.349,-1.9364,4.149;-.2341,-2.3213,4.0766;-.3858,-3.3306,3.648;-.1982,-2.4527,5.1728;1.0975,-1.7641,3.5759;1.3486,-.812,4.0758;1.925,-2.468,3.7784;1.075,-1.5731,2.4853;-1.0185,-2.3329,7.3381;-2.2757,-.4563,6.5794;-3.3155,-.1878,6.363;-3.2614,-2.2801,7.6199;.8446,.5967,10.8417;1.0046,.9225,11.8866;1.6125,1.0867,10.2142;1.0291,-.492,10.7936;-.5639,.9263,10.3529;-1.3151,.4411,10.9999;-.7412,2.0164,10.4399;-.8238,.4673,8.917;-.5885,-.6096,8.8287;-.1493,.9936,8.2163;-2.2822,.7093,8.5155;-3.2045,.3611,9.2536;-2.417,1.5918,7.8335;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605799279701</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000384617658 0.000074658570 0.010901189020 0.003400011019</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036603175 0.000072131 0.000219460 0.000452200 0.000690990 0.001177565 0.001485359 0.001710923 0.002855912 0.003330836 0.003860900 0.004957885 0.005588213 0.006094732 0.006789484 0.009393086 0.009641740 0.010090360 0.011944731 0.014144309 0.015090706 0.016727271 0.019849693 0.021755641 0.024666668 0.027689559 0.028807326 0.031231800 0.032174711 0.036708797 0.039101244 0.039942890 0.041071507 0.042528039 0.046306244 0.049768090 0.051258302 0.051359655 0.052364374 0.052926183 0.056089669 0.057613289 0.058407659 0.059065628 0.064763380 0.067027131 0.073735097 0.075331092 0.077353835 0.078310421 0.079285604 0.081585037 0.083194950 0.087578586 0.089010419 0.091441696 0.102701018 0.107800292 0.108425408 0.112404615 0.113982890 0.114961488 0.129112670 0.133777783 0.135551747 0.138854707 0.145787539 0.152044777 0.158082733 0.161869552 0.170785490 0.174325374 0.177040822 0.177967805 0.190425238 0.198669668 0.205355061 0.212986979 0.214687541 0.223198795 0.231129272 0.241574271 0.252758391 0.276042428 0.302473014 0.304121049 0.320361672 0.357276573 0.377710937 0.417263612 0.466025598 0.490429603 0.543276095 0.549675994 0.612051831 0.614109861 0.661738827 0.717081696 0.734964194 0.741825413 0.754647464 0.764998393 0.778590465 0.780800721 0.785732981 0.786944073 0.795352892 0.818578141 0.819464310 0.843894447 0.848814854 0.856185044 0.859565879 0.880812982 0.894520144 0.917760983 0.921148470 0.921531785 0.929997805 0.975286931 0.988276214 1.024094222 1.033177574 1.090543308 1.440929095 1.530687193</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">84</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84338931" y3="-3.97849175" z3="10.97296959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8603056" y3="-4.41108966" z3="11.03728108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.57454061" y3="-3.61088351" z3="11.97926796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.14839853" y3="-4.80239043" z3="10.72261785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.77523693" y3="-2.85910629" z3="9.93822001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.75669094" y3="-2.43866712" z3="9.90135667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.43799948" y3="-2.01803178" z3="10.19976083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14130268" y3="-3.33816534" z3="8.53581977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13442569" y3="-3.82533122" z3="8.55440727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39539149" y3="-4.07370543" z3="8.18177272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08463678" y3="-1.73581291" z3="7.14626306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20723223" y3="0.15940917" z3="5.72423014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23182922" y3="-0.2650214" z3="6.02466407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13850431" y3="1.25218646" z3="5.92353524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39442395" y3="-0.00873415" z3="4.20465541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.58521614" y3="0.53218833" z3="3.67253895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3375547" y3="0.49012174" z3="3.90732447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44964495" y3="-1.46027041" z3="3.7168325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58667421" y3="-1.45901205" z3="2.61550321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34682385" y3="-1.93986318" z3="4.14815537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23076152" y3="-2.3188818" z3="4.07438041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.37968924" y3="-3.32835489" z3="3.64511085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.19416894" y3="-2.45102022" z3="5.17048574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09919346" y3="-1.75749788" z3="3.57358977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3475265" y3="-0.80490725" z3="4.07384755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92889128" y3="-2.45900989" z3="3.7755166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07582961" y3="-1.56589809" z3="2.48297689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01690898" y3="-2.33412" z3="7.33679998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27610026" y3="-0.45826223" z3="6.57945638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31635819" y3="-0.19057806" z3="6.36388731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2596514" y3="-2.28304122" z3="7.62006518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84387461" y3="0.59134836" z3="10.84153837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00546319" y3="0.91974981" z3="11.88542644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.6134859" y3="1.0760831" z3="10.21228721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.02382631" y3="-0.49828751" z3="10.79667368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56314314" y3="0.9253002" z3="10.35198198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31610117" y3="0.44423605" z3="10.99994403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73647873" y3="2.01632408" z3="10.43670826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82420558" y3="0.46408665" z3="8.91712129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59056617" y3="-0.61322819" z3="8.83103677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14901444" y3="0.98766524" z3="8.21519538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28214123" y3="0.70755152" z3="8.51512351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20510619" y3="0.36070091" z3="9.25307272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41583586" y3="1.59009953" z3="7.83297041">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8434,-3.9785,10.973;-3.8603,-4.4111,11.0373;-2.5745,-3.6109,11.9793;-2.1484,-4.8024,10.7226;-2.7752,-2.8591,9.9382;-1.7567,-2.4387,9.9014;-3.438,-2.018,10.1998;-3.1413,-3.3382,8.5358;-4.1344,-3.8253,8.5544;-2.3954,-4.0737,8.1818;-2.0846,-1.7358,7.1463;-1.2072,.1594,5.7242;-.2318,-.265,6.0247;-1.1385,1.2522,5.9235;-1.3944,-.0087,4.2047;-.5852,.5322,3.6725;-2.3376,.4901,3.9073;-1.4496,-1.4603,3.7168;-1.5867,-1.459,2.6155;-2.3468,-1.9399,4.1482;-.2308,-2.3189,4.0744;-.3797,-3.3284,3.6451;-.1942,-2.451,5.1705;1.0992,-1.7575,3.5736;1.3475,-.8049,4.0738;1.9289,-2.459,3.7755;1.0758,-1.5659,2.483;-1.0169,-2.3341,7.3368;-2.2761,-.4583,6.5795;-3.3164,-.1906,6.3639;-3.2597,-2.283,7.6201;.8439,.5913,10.8415;1.0055,.9197,11.8854;1.6135,1.0761,10.2123;1.0238,-.4983,10.7967;-.5631,.9253,10.352;-1.3161,.4442,10.9999;-.7365,2.0163,10.4367;-.8242,.4641,8.9171;-.5906,-.6132,8.831;-.149,.9877,8.2152;-2.2821,.7076,8.5151;-3.2051,.3607,9.2531;-2.4158,1.5901,7.833;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605800323463</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000268796541 0.000062097494 0.016631905110 0.003941698769</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001674128688 0.001116085792</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036588437 0.000100185 0.000260304 0.000446301 0.000683137 0.001159349 0.001480075 0.001699577 0.002814245 0.003331017 0.003856459 0.004959178 0.005532572 0.006097763 0.006787442 0.009382065 0.009462072 0.010027399 0.011945093 0.014125029 0.015052914 0.016381685 0.019819391 0.021754630 0.024660618 0.027686019 0.028809874 0.031234034 0.032173907 0.036704743 0.038989223 0.039940470 0.041071658 0.042536561 0.046306308 0.049768400 0.051259932 0.051359782 0.052364619 0.052918774 0.056088735 0.057604438 0.057905171 0.059053981 0.064750726 0.067032199 0.073735039 0.075330198 0.077353003 0.078310219 0.079283680 0.081579037 0.083186165 0.087578813 0.088992917 0.091439476 0.102700969 0.107795052 0.108424733 0.112399171 0.113982556 0.114960772 0.128992526 0.133771390 0.135550681 0.138855099 0.145789228 0.152026402 0.158082944 0.161869666 0.170786070 0.174323223 0.177037624 0.177967434 0.190389851 0.198663422 0.205348073 0.212989016 0.214673456 0.223184390 0.231040188 0.241557295 0.252741052 0.276031888 0.302066713 0.304077386 0.320335438 0.357246018 0.377710788 0.417253282 0.466022517 0.490403939 0.543276476 0.549652157 0.612032199 0.614099607 0.661734636 0.717080168 0.734963765 0.741816940 0.754647513 0.764998364 0.778573691 0.780793977 0.785717250 0.786942898 0.795352669 0.818576002 0.819461136 0.843753868 0.848796186 0.856167372 0.859557951 0.880799214 0.894519855 0.917760324 0.921138948 0.921520171 0.929991175 0.975260134 0.988270661 1.024040295 1.032877932 1.090450706 1.440923909 1.530683597</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">85</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84807808" y3="-3.98284928" z3="10.97291734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86591335" y3="-4.41383002" z3="11.03506936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.58059553" y3="-3.61606088" z3="11.97988691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.15401771" y3="-4.80789954" z3="10.72375405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.77591408" y3="-2.86333484" z3="9.93858547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.75665384" y3="-2.44418759" z3="9.90402639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.43810301" y3="-2.0213991" z3="10.19906436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13957199" y3="-3.34165744" z3="8.53518833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13236736" y3="-3.82978105" z3="8.55218324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39258629" y3="-4.07640266" z3="8.18166824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08197497" y3="-1.73839015" z3="7.14672418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.2045953" y3="0.15751707" z3="5.7255025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22963545" y3="-0.26869976" z3="6.02485745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13459648" y3="1.24978907" z3="5.92740412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39207748" y3="-0.00657896" z3="4.20554072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.58172875" y3="0.53383595" z3="3.67470313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.33409184" y3="0.49495809" z3="3.90935442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45047655" y3="-1.45685382" z3="3.7145479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58741863" y3="-1.45299382" z3="2.61326565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34861584" y3="-1.9353417" z3="4.1448655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23357469" y3="-2.31876298" z3="4.07029955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38478411" y3="-3.32703653" z3="3.63910007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.19689518" y3="-2.4530434" z3="5.16609478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0973381" y3="-1.75923136" z3="3.57032699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34816635" y3="-0.80851012" z3="4.0727978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92539588" y3="-2.46302809" z3="3.76993273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07371383" y3="-1.56485811" z3="2.48036995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01419336" y3="-2.33659228" z3="7.33782572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27388734" y3="-0.46155079" z3="6.57900912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31416569" y3="-0.19373264" z3="6.36377678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25737024" y3="-2.28603677" z3="7.6200932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84511831" y3="0.59998972" z3="10.84325961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00808521" y3="0.93638172" z3="11.88443978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61555229" y3="1.07809711" z3="10.20963439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.02264027" y3="-0.49030765" z3="10.80706053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56159028" y3="0.93322577" z3="10.35198446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31532855" y3="0.45820525" z3="11.00379616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.7324724" y3="2.02524075" z3="10.42899732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82462774" y3="0.46278353" z3="8.92030682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59355065" y3="-0.61564755" z3="8.84066242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14893563" y3="0.98054663" z3="8.21448971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28227218" y3="0.70652804" z3="8.51856519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20538694" y3="0.35925249" z3="9.25575741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41632449" y3="1.58763502" z3="7.83468311">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8481,-3.9828,10.9729;-3.8659,-4.4138,11.0351;-2.5806,-3.6161,11.9799;-2.154,-4.8079,10.7238;-2.7759,-2.8633,9.9386;-1.7567,-2.4442,9.904;-3.4381,-2.0214,10.1991;-3.1396,-3.3417,8.5352;-4.1324,-3.8298,8.5522;-2.3926,-4.0764,8.1817;-2.082,-1.7384,7.1467;-1.2046,.1575,5.7255;-.2296,-.2687,6.0249;-1.1346,1.2498,5.9274;-1.3921,-.0066,4.2055;-.5817,.5338,3.6747;-2.3341,.495,3.9094;-1.4505,-1.4569,3.7145;-1.5874,-1.453,2.6133;-2.3486,-1.9353,4.1449;-.2336,-2.3188,4.0703;-.3848,-3.327,3.6391;-.1969,-2.453,5.1661;1.0973,-1.7592,3.5703;1.3482,-.8085,4.0728;1.9254,-2.463,3.7699;1.0737,-1.5649,2.4804;-1.0142,-2.3366,7.3378;-2.2739,-.4616,6.579;-3.3142,-.1937,6.3638;-3.2574,-2.286,7.6201;.8451,.6,10.8433;1.0081,.9364,11.8844;1.6156,1.0781,10.2096;1.0226,-.4903,10.8071;-.5616,.9332,10.352;-1.3153,.4582,11.0038;-.7325,2.0252,10.429;-.8246,.4628,8.9203;-.5936,-.6156,8.8407;-.1489,.9805,8.2145;-2.2823,.7065,8.5186;-3.2054,.3593,9.2558;-2.4163,1.5876,7.8347;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605801640832</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000351292964 0.000073126788 0.005871851156 0.002045236514</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036586166 0.000097319 0.000256743 0.000447098 0.000682313 0.001156741 0.001479844 0.001699735 0.002813054 0.003332575 0.003862775 0.004959978 0.005531004 0.006099611 0.006787097 0.009378689 0.009452370 0.010025378 0.011944454 0.014122716 0.015050143 0.016354964 0.019815409 0.021757686 0.024659612 0.027685656 0.028810041 0.031234261 0.032174042 0.036706187 0.038981727 0.039940412 0.041071670 0.042536315 0.046306311 0.049768479 0.051262171 0.051360718 0.052364781 0.052918620 0.056090596 0.057603258 0.057868091 0.059053755 0.064750816 0.067033167 0.073735129 0.075330273 0.077352949 0.078310117 0.079284383 0.081576640 0.083189565 0.087579392 0.088993592 0.091440166 0.102701075 0.107795170 0.108424720 0.112399572 0.113982529 0.114960930 0.128986831 0.133771711 0.135551777 0.138855519 0.145790231 0.152025292 0.158083371 0.161869874 0.170786032 0.174322811 0.177037073 0.177967402 0.190386951 0.198663284 0.205350698 0.212989783 0.214672255 0.223186297 0.231033422 0.241556998 0.252750862 0.276036097 0.302045159 0.304076306 0.320333701 0.357244845 0.377710919 0.417252785 0.466022912 0.490402567 0.543276315 0.549651043 0.612030747 0.614098915 0.661734590 0.717080198 0.734963748 0.741816960 0.754647556 0.764998354 0.778573969 0.780793897 0.785715806 0.786943325 0.795352654 0.818576072 0.819462300 0.843746329 0.848794914 0.856167742 0.859558058 0.880799554 0.894519703 0.917760327 0.921139605 0.921519917 0.929991458 0.975259256 0.988270557 1.024038075 1.032862014 1.090447732 1.440923880 1.530683555</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">86</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85027886" y3="-3.9821345" z3="10.97456807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86973537" y3="-4.40913138" z3="11.03695402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.58160561" y3="-3.61501779" z3="11.9811294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.15932649" y3="-4.81014827" z3="10.72663741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.77373581" y3="-2.86434079" z3="9.93875599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.75319672" y3="-2.4484776" z3="9.90479363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.43351775" y3="-2.01999159" z3="10.19738833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13769577" y3="-3.34319383" z3="8.53569475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13050596" y3="-3.83108545" z3="8.55311024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39097921" y3="-4.07833406" z3="8.1824437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08044898" y3="-1.74005804" z3="7.14661558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20387583" y3="0.15642555" z3="5.72569897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2289936" y3="-0.27055063" z3="6.02419487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13335362" y3="1.24843988" z3="5.92901762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.39181064" y3="-0.00549548" z3="4.20555245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.58140466" y3="0.5353961" z3="3.6752726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.33374626" y3="0.49676843" z3="3.91027828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45078883" y3="-1.45510143" z3="3.71257429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5874367" y3="-1.44970074" z3="2.61120654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34930691" y3="-1.93374972" z3="4.1420743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23427509" y3="-2.31805711" z3="4.06755893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38584405" y3="-3.32580955" z3="3.6352037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.19777537" y3="-2.45358949" z3="5.16327626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09706879" y3="-1.75860371" z3="3.56834725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34783835" y3="-0.80817393" z3="4.07146992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.9250002" y3="-2.46281229" z3="3.7679973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07400229" y3="-1.56362818" z3="2.47833132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0124917" y3="-2.33793769" z3="7.33769295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27303077" y3="-0.46354048" z3="6.57865135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31340495" y3="-0.19586367" z3="6.36379857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25562342" y3="-2.28812485" z3="7.62003625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84423938" y3="0.60147709" z3="10.84433659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00839064" y3="0.94186493" z3="11.88395141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61514347" y3="1.07525828" z3="10.20839171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.0194267" y3="-0.48935105" z3="10.81245571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56184208" y3="0.93562808" z3="10.35217786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31613792" y3="0.46407711" z3="11.00572888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73079949" y3="2.02819719" z3="10.42554584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82567962" y3="0.46078207" z3="8.92214865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59632365" y3="-0.61814228" z3="8.84617014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14926147" y3="0.97485724" z3="8.21456672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28273687" y3="0.70551419" z3="8.51964895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20662336" y3="0.35881123" z3="9.25596862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4158782" y3="1.58603555" z3="7.83495691">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8503,-3.9821,10.9746;-3.8697,-4.4091,11.037;-2.5816,-3.615,11.9811;-2.1593,-4.8101,10.7266;-2.7737,-2.8643,9.9388;-1.7532,-2.4485,9.9048;-3.4335,-2.02,10.1974;-3.1377,-3.3432,8.5357;-4.1305,-3.8311,8.5531;-2.391,-4.0783,8.1824;-2.0804,-1.7401,7.1466;-1.2039,.1564,5.7257;-.229,-.2706,6.0242;-1.1334,1.2484,5.929;-1.3918,-.0055,4.2056;-.5814,.5354,3.6753;-2.3337,.4968,3.9103;-1.4508,-1.4551,3.7126;-1.5874,-1.4497,2.6112;-2.3493,-1.9337,4.1421;-.2343,-2.3181,4.0676;-.3858,-3.3258,3.6352;-.1978,-2.4536,5.1633;1.0971,-1.7586,3.5683;1.3478,-.8082,4.0715;1.925,-2.4628,3.768;1.074,-1.5636,2.4783;-1.0125,-2.3379,7.3377;-2.273,-.4635,6.5787;-3.3134,-.1959,6.3638;-3.2556,-2.2881,7.62;.8442,.6015,10.8443;1.0084,.9419,11.884;1.6151,1.0753,10.2084;1.0194,-.4894,10.8125;-.5618,.9356,10.3522;-1.3161,.4641,11.0057;-.7308,2.0282,10.4255;-.8257,.4608,8.9221;-.5963,-.6181,8.8462;-.1493,.9749,8.2146;-2.2827,.7055,8.5196;-3.2066,.3588,9.256;-2.4159,1.586,7.835;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605802624805</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000322126006 0.000059648176 0.009631179708 0.002950671255</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036581987 0.000100268 0.000172769 0.000510805 0.000681730 0.001157408 0.001487257 0.001701861 0.002806000 0.003333726 0.003870287 0.004960478 0.005527369 0.006101676 0.006786525 0.009368843 0.009441392 0.010031577 0.011943778 0.014126223 0.015043264 0.016335511 0.019813016 0.021758527 0.024658448 0.027688788 0.028810141 0.031234496 0.032173831 0.036705898 0.038969710 0.039940462 0.041071927 0.042537724 0.046306336 0.049768405 0.051264790 0.051361524 0.052365106 0.052918226 0.056091196 0.057601976 0.057832727 0.059054716 0.064750715 0.067036437 0.073735641 0.075330328 0.077352700 0.078310151 0.079284667 0.081574606 0.083185204 0.087580213 0.088992227 0.091442629 0.102701113 0.107795276 0.108424644 0.112400545 0.113982348 0.114961559 0.128967398 0.133773935 0.135549303 0.138856666 0.145791837 0.152024515 0.158084222 0.161870001 0.170786443 0.174321853 0.177036869 0.177968379 0.190382386 0.198664699 0.205356961 0.212988809 0.214672515 0.223186133 0.231024437 0.241556192 0.252749041 0.276037879 0.301978546 0.304072182 0.320330295 0.357243189 0.377711262 0.417252272 0.466027472 0.490397474 0.543276395 0.549648803 0.612033644 0.614097329 0.661735143 0.717080920 0.734964107 0.741817056 0.754647864 0.764998940 0.778576368 0.780790023 0.785713729 0.786945183 0.795355033 0.818576200 0.819460293 0.843725788 0.848793038 0.856171260 0.859558861 0.880800615 0.894520315 0.917760430 0.921141918 0.921520028 0.929989590 0.975257104 0.988269038 1.024035671 1.032812180 1.090438666 1.440923767 1.530683794</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">87</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85096978" y3="-3.98234361" z3="10.97559538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87246472" y3="-4.40423052" z3="11.03913493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.57980316" y3="-3.6154407" z3="11.98149707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.16440375" y3="-4.8141611" z3="10.72822932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7695065" y3="-2.86610108" z3="9.93839983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.74701758" y3="-2.45482346" z3="9.9037812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.42567023" y3="-2.01859429" z3="10.19598886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13574597" y3="-3.3449712" z3="8.53580262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12930287" y3="-3.83145208" z3="8.55472032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39048089" y3="-4.08135161" z3="8.18194972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07836815" y3="-1.74201376" z3="7.14614843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20175105" y3="0.15494638" z3="5.72593274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22726216" y3="-0.27349615" z3="6.02370644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1302321" y3="1.24655193" z3="5.93137447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38976994" y3="-0.00375714" z3="4.20544258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57827293" y3="0.53651855" z3="3.67617584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.33073572" y3="0.50084226" z3="3.91096325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45153178" y3="-1.45242726" z3="3.71012299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58818859" y3="-1.44505621" z3="2.60880967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35086137" y3="-1.92999311" z3="4.13896221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23667913" y3="-2.31818953" z3="4.06368544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39017386" y3="-3.3249583" z3="3.62973558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20014647" y3="-2.45548394" z3="5.15915372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09547969" y3="-1.76027127" z3="3.56514103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3486605" y3="-0.8116867" z3="4.07049169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92195965" y3="-2.46662233" z3="3.76225349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0719256" y3="-1.56240817" z3="2.47582539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01034164" y3="-2.33988799" z3="7.33742591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27136191" y3="-0.4661849" z3="6.57730796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3117362" y3="-0.19828018" z3="6.36281123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25368347" y3="-2.29016994" z3="7.61991862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84196197" y3="0.60513374" z3="10.84795234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00610879" y3="0.95070357" z3="11.88585872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61429718" y3="1.07417558" z3="10.21001482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.01518842" y3="-0.48604958" z3="10.82208689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56332168" y3="0.93938197" z3="10.35337986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31880422" y3="0.47189444" z3="11.00855581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73048257" y3="2.03249502" z3="10.42185163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82729894" y3="0.45926331" z3="8.92505059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59984679" y3="-0.62039901" z3="8.8527962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.14976598" y3="0.96969744" z3="8.21581865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28358598" y3="0.70519624" z3="8.52143836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20867007" y3="0.35904839" z3="9.25617505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41570541" y3="1.58434361" z3="7.83490599">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.851,-3.9823,10.9756;-3.8725,-4.4042,11.0391;-2.5798,-3.6154,11.9815;-2.1644,-4.8142,10.7282;-2.7695,-2.8661,9.9384;-1.747,-2.4548,9.9038;-3.4257,-2.0186,10.196;-3.1357,-3.345,8.5358;-4.1293,-3.8315,8.5547;-2.3905,-4.0814,8.1819;-2.0784,-1.742,7.1461;-1.2018,.1549,5.7259;-.2273,-.2735,6.0237;-1.1302,1.2466,5.9314;-1.3898,-.0038,4.2054;-.5783,.5365,3.6762;-2.3307,.5008,3.911;-1.4515,-1.4524,3.7101;-1.5882,-1.4451,2.6088;-2.3509,-1.93,4.139;-.2367,-2.3182,4.0637;-.3902,-3.325,3.6297;-.2001,-2.4555,5.1592;1.0955,-1.7603,3.5651;1.3487,-.8117,4.0705;1.922,-2.4666,3.7623;1.0719,-1.5624,2.4758;-1.0103,-2.3399,7.3374;-2.2714,-.4662,6.5773;-3.3117,-.1983,6.3628;-3.2537,-2.2902,7.6199;.842,.6051,10.848;1.0061,.9507,11.8859;1.6143,1.0742,10.21;1.0152,-.486,10.8221;-.5633,.9394,10.3534;-1.3188,.4719,11.0086;-.7305,2.0325,10.4219;-.8273,.4593,8.9251;-.5998,-.6204,8.8528;-.1498,.9697,8.2158;-2.2836,.7052,8.5214;-3.2087,.359,9.2562;-2.4157,1.5843,7.8349;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605803738857</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000376158282 0.000067439867 0.016782388938 0.004247799761</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036578802 0.000068310 0.000203006 0.000518864 0.000682464 0.001156515 0.001489670 0.001708045 0.002799758 0.003339504 0.003872573 0.004958068 0.005528781 0.006105171 0.006785264 0.009352361 0.009432459 0.010027990 0.011944008 0.014124971 0.015044650 0.016304625 0.019810937 0.021760968 0.024657604 0.027687934 0.028809683 0.031234779 0.032173816 0.036705692 0.038965969 0.039940670 0.041072091 0.042538563 0.046306321 0.049768403 0.051266376 0.051362018 0.052364892 0.052917581 0.056091687 0.057600173 0.057811513 0.059054533 0.064751465 0.067036653 0.073735776 0.075330372 0.077352475 0.078310272 0.079285274 0.081571384 0.083184691 0.087580594 0.088991184 0.091441608 0.102701231 0.107795778 0.108424602 0.112401775 0.113982248 0.114961533 0.128956626 0.133773574 0.135546113 0.138858330 0.145792692 0.152024052 0.158084441 0.161869927 0.170786312 0.174320330 0.177037682 0.177969549 0.190378928 0.198664304 0.205358972 0.212988294 0.214674471 0.223187353 0.231014474 0.241556573 0.252748130 0.276039354 0.301932386 0.304068498 0.320324871 0.357242876 0.377711421 0.417251918 0.466028417 0.490393834 0.543276281 0.549647381 0.612035781 0.614095862 0.661735556 0.717081244 0.734964489 0.741817495 0.754648006 0.764999587 0.778578394 0.780788164 0.785711114 0.786946605 0.795357553 0.818576520 0.819459520 0.843711301 0.848791804 0.856178295 0.859559143 0.880800808 0.894521133 0.917760732 0.921143969 0.921519612 0.929990782 0.975255308 0.988267109 1.024034035 1.032772133 1.090434789 1.440923736 1.530683604</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">88</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85219306" y3="-3.98721208" z3="10.9740172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87499583" y3="-4.40597872" z3="11.03695304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.58003536" y3="-3.62186775" z3="11.98031663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.16816517" y3="-4.82085345" z3="10.72620908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.76724352" y3="-2.87073916" z3="9.93754803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.74367765" y3="-2.46252311" z3="9.90368079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.42116827" y3="-2.02157548" z3="10.19539151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13421753" y3="-3.34772169" z3="8.53457532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12810238" y3="-3.83331912" z3="8.55337142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.38974733" y3="-4.08461009" z3="8.18004191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07562973" y3="-1.74371565" z3="7.14680946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19803331" y3="0.15339687" z3="5.72759522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22442471" y3="-0.27773792" z3="6.02430665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12433556" y3="1.24436765" z3="5.93602631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.3861037" y3="-0.00038821" z3="4.20660139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57251599" y3="0.53854027" z3="3.67920978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32514826" y3="0.50835397" z3="3.91320083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45301729" y3="-1.44742729" z3="3.70715495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58825186" y3="-1.43649214" z3="2.60561686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35485082" y3="-1.92256535" z3="4.13363167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.242027" y3="-2.31900878" z3="4.06000715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39946067" y3="-3.32439975" z3="3.62420655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20655449" y3="-2.45836537" z3="5.15532415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09298194" y3="-1.76596401" z3="3.563312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34875808" y3="-0.81839756" z3="4.06933582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91672989" y3="-2.47559628" z3="3.76168272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07190884" y3="-1.56782558" z3="2.47371915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00763208" y3="-2.34133626" z3="7.33937385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26869794" y3="-0.46863078" z3="6.57687364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30891212" y3="-0.20049644" z3="6.36200153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25132036" y3="-2.29228556" z3="7.61946714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84157976" y3="0.61527048" z3="10.84967447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00719013" y3="0.96748596" z3="11.88514044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61269182" y3="1.08015475" z3="10.20761525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.01452127" y3="-0.47625676" z3="10.83020285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56407145" y3="0.94663526" z3="10.35457133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31890308" y3="0.48264986" z3="11.01302407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73112451" y3="2.04023801" z3="10.41717409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82891296" y3="0.45858571" z3="8.92898974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60351548" y3="-0.62175648" z3="8.86297013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15059806" y3="0.96353027" z3="8.21677799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28453061" y3="0.70466001" z3="8.52445837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21020405" y3="0.35810678" z3="9.25778252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41640135" y3="1.58245826" z3="7.83642984">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8522,-3.9872,10.974;-3.875,-4.406,11.037;-2.58,-3.6219,11.9803;-2.1682,-4.8209,10.7262;-2.7672,-2.8707,9.9375;-1.7437,-2.4625,9.9037;-3.4212,-2.0216,10.1954;-3.1342,-3.3477,8.5346;-4.1281,-3.8333,8.5534;-2.3897,-4.0846,8.18;-2.0756,-1.7437,7.1468;-1.198,.1534,5.7276;-.2244,-.2777,6.0243;-1.1243,1.2444,5.936;-1.3861,-.0004,4.2066;-.5725,.5385,3.6792;-2.3251,.5084,3.9132;-1.453,-1.4474,3.7072;-1.5883,-1.4365,2.6056;-2.3549,-1.9226,4.1336;-.242,-2.319,4.06;-.3995,-3.3244,3.6242;-.2066,-2.4584,5.1553;1.093,-1.766,3.5633;1.3488,-.8184,4.0693;1.9167,-2.4756,3.7617;1.0719,-1.5678,2.4737;-1.0076,-2.3413,7.3394;-2.2687,-.4686,6.5769;-3.3089,-.2005,6.362;-3.2513,-2.2923,7.6195;.8416,.6153,10.8497;1.0072,.9675,11.8851;1.6127,1.0802,10.2076;1.0145,-.4763,10.8302;-.5641,.9466,10.3546;-1.3189,.4826,11.013;-.7311,2.0402,10.4172;-.8289,.4586,8.929;-.6035,-.6218,8.863;-.1506,.9635,8.2168;-2.2845,.7047,8.5245;-3.2102,.3581,9.2578;-2.4164,1.5825,7.8364;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605804478771</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000263684604 0.000069948646 0.008299483611 0.002144859502</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001706584279 0.001137722853</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036578561 0.000122607 0.000143158 0.000528581 0.000682956 0.001157299 0.001493219 0.001714985 0.002800814 0.003341675 0.003883280 0.004958575 0.005528299 0.006108351 0.006784012 0.009351994 0.009432784 0.010033862 0.011944034 0.014125856 0.015044254 0.016300964 0.019810092 0.021763951 0.024657757 0.027690523 0.028810065 0.031235386 0.032174014 0.036705704 0.038963962 0.039940479 0.041072498 0.042540787 0.046306329 0.049768410 0.051267952 0.051362654 0.052364662 0.052918204 0.056092121 0.057601457 0.057803865 0.059054590 0.064752265 0.067041401 0.073735990 0.075330444 0.077352457 0.078310393 0.079285780 0.081569392 0.083185166 0.087580826 0.088990996 0.091442151 0.102701420 0.107797102 0.108424636 0.112403974 0.113982200 0.114961655 0.128954114 0.133774294 0.135543913 0.138859647 0.145794293 0.152024019 0.158085069 0.161870313 0.170785964 0.174319147 0.177037605 0.177971628 0.190378109 0.198667156 0.205361883 0.212988451 0.214677323 0.223189556 0.231014040 0.241556336 0.252749594 0.276042775 0.301917705 0.304067256 0.320323581 0.357246126 0.377711951 0.417252883 0.466033071 0.490393190 0.543279246 0.549648444 0.612038334 0.614096220 0.661737320 0.717081419 0.734965142 0.741817851 0.754648256 0.765001021 0.778581697 0.780788853 0.785709792 0.786949908 0.795363215 0.818577123 0.819461432 0.843708756 0.848792823 0.856193771 0.859560872 0.880800951 0.894522260 0.917761014 0.921146310 0.921519917 0.929995212 0.975255002 0.988267590 1.024035815 1.032764742 1.090435909 1.440925330 1.530685176</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">89</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85069158" y3="-3.98570183" z3="10.97495419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87522331" y3="-4.39995518" z3="11.04020807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.5753069" y3="-3.62022967" z3="11.98025268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17072775" y3="-4.82283031" z3="10.72709889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.762403" y3="-2.87070897" z3="9.93691361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.73704189" y3="-2.46665378" z3="9.90114986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.41286878" y3="-2.01864657" z3="10.1942358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13293049" y3="-3.34796745" z3="8.53484288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12783228" y3="-3.8316159" z3="8.55592995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39053417" y3="-4.08653758" z3="8.17930619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07459136" y3="-1.74445029" z3="7.14610894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19681843" y3="0.152813" z3="5.7273337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2234522" y3="-0.27900722" z3="6.02393974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12273126" y3="1.24357827" z3="5.93674991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38459077" y3="0.00043866" z3="4.20613409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57006553" y3="0.53854904" z3="3.67927622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3228713" y3="0.51072305" z3="3.91278108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45337906" y3="-1.44620312" z3="3.70590571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58887251" y3="-1.43453105" z3="2.60447621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35557817" y3="-1.92039673" z3="4.13241947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24341731" y3="-2.31942978" z3="4.0578235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40220605" y3="-3.32429486" z3="3.62135984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20765676" y3="-2.45954455" z3="5.15298494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09183315" y3="-1.76746524" z3="3.56093969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34990203" y3="-0.82145407" z3="4.06865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91448539" y3="-2.47869199" z3="3.75650537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06953381" y3="-1.56685805" z3="2.47210665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00653" y3="-2.34211211" z3="7.33864005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26785421" y3="-0.46979016" z3="6.57561329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30805053" y3="-0.20149749" z3="6.36088597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25029036" y3="-2.29288745" z3="7.61935335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83843262" y3="0.61542269" z3="10.85315765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00280745" y3="0.96923254" z3="11.88819813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61118046" y3="1.07858372" z3="10.21149659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.01061201" y3="-0.47605436" z3="10.83611494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56645413" y3="0.94718083" z3="10.35583631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32234067" y3="0.48467042" z3="11.01403287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73285506" y3="2.04082947" z3="10.41680954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83029375" y3="0.45804677" z3="8.93052377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60516341" y3="-0.62244854" z3="8.86495421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15142234" y3="0.96253783" z3="8.21851183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28543796" y3="0.70467156" z3="8.52496763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21211825" y3="0.35833628" z3="9.2570082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41654718" y3="1.5817375" z3="7.83588133">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8507,-3.9857,10.975;-3.8752,-4.4,11.0402;-2.5753,-3.6202,11.9803;-2.1707,-4.8228,10.7271;-2.7624,-2.8707,9.9369;-1.737,-2.4667,9.9011;-3.4129,-2.0186,10.1942;-3.1329,-3.348,8.5348;-4.1278,-3.8316,8.5559;-2.3905,-4.0865,8.1793;-2.0746,-1.7445,7.1461;-1.1968,.1528,5.7273;-.2235,-.279,6.0239;-1.1227,1.2436,5.9367;-1.3846,.0004,4.2061;-.5701,.5385,3.6793;-2.3229,.5107,3.9128;-1.4534,-1.4462,3.7059;-1.5889,-1.4345,2.6045;-2.3556,-1.9204,4.1324;-.2434,-2.3194,4.0578;-.4022,-3.3243,3.6214;-.2077,-2.4595,5.153;1.0918,-1.7675,3.5609;1.3499,-.8215,4.0686;1.9145,-2.4787,3.7565;1.0695,-1.5669,2.4721;-1.0065,-2.3421,7.3386;-2.2679,-.4698,6.5756;-3.3081,-.2015,6.3609;-3.2503,-2.2929,7.6194;.8384,.6154,10.8532;1.0028,.9692,11.8882;1.6112,1.0786,10.2115;1.0106,-.4761,10.8361;-.5665,.9472,10.3558;-1.3223,.4847,11.014;-.7329,2.0408,10.4168;-.8303,.458,8.9305;-.6052,-.6224,8.865;-.1514,.9625,8.2185;-2.2854,.7047,8.525;-3.2121,.3583,9.257;-2.4165,1.5817,7.8359;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605805201462</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000409489819 0.000071607930 0.011317664430 0.003096838125</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036579105 0.000050913 0.000122558 0.000529904 0.000686396 0.001158350 0.001498713 0.001741990 0.002794011 0.003360557 0.003889255 0.004956240 0.005533427 0.006123170 0.006784823 0.009329135 0.009419368 0.010021949 0.011943449 0.014125547 0.015055184 0.016256479 0.019808587 0.021767283 0.024658141 0.027694702 0.028811861 0.031237240 0.032174636 0.036706764 0.038963308 0.039942314 0.041073493 0.042544127 0.046306469 0.049768553 0.051269794 0.051363061 0.052364467 0.052917360 0.056094194 0.057597042 0.057780957 0.059053885 0.064756468 0.067042136 0.073736173 0.075330441 0.077353411 0.078311726 0.079287631 0.081571314 0.083191937 0.087581199 0.088989309 0.091442509 0.102701794 0.107800372 0.108424603 0.112411475 0.113982102 0.114961164 0.128946257 0.133773216 0.135541401 0.138864899 0.145795827 0.152024822 0.158085563 0.161870061 0.170785802 0.174318894 0.177041123 0.177977916 0.190380532 0.198666291 0.205362793 0.212989229 0.214691318 0.223193884 0.230999379 0.241559061 0.252748681 0.276050900 0.301928702 0.304071010 0.320316760 0.357263702 0.377712849 0.417252695 0.466032099 0.490393646 0.543282751 0.549646683 0.612043366 0.614098714 0.661737549 0.717081462 0.734965939 0.741818041 0.754648601 0.765003046 0.778586323 0.780787645 0.785708193 0.786952040 0.795370523 0.818577992 0.819463910 0.843704583 0.848796835 0.856209271 0.859560930 0.880800791 0.894525421 0.917761658 0.921148521 0.921519338 0.929997531 0.975255029 0.988265195 1.024038295 1.032757188 1.090433403 1.440926111 1.530685452</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">90</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84815863" y3="-3.98441606" z3="10.97576461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87506207" y3="-4.39239453" z3="11.04398309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.5681261" y3="-3.61929588" z3="11.98005486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17373011" y3="-4.82580617" z3="10.72737951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.75587555" y3="-2.87145744" z3="9.93612698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.7285424" y3="-2.4731044" z3="9.89812408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.40155112" y3="-2.01558487" z3="10.19327711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13130247" y3="-3.34846454" z3="8.53525671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12720481" y3="-3.82959003" z3="8.55932564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39179413" y3="-4.08923213" z3="8.17829816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07276724" y3="-1.74556155" z3="7.14587276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19426563" y3="0.15163052" z3="5.72756889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22152995" y3="-0.28201816" z3="6.02351314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11865473" y3="1.24196691" z3="5.93889381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38214744" y3="0.0025076" z3="4.206089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56637914" y3="0.53981691" z3="3.68044553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31917501" y3="0.51543519" z3="3.91359945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45431645" y3="-1.44297035" z3="3.70297618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5890161" y3="-1.42882576" z3="2.60141618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35809134" y3="-1.91568269" z3="4.12797974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24681507" y3="-2.31996439" z3="4.05415417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40822231" y3="-3.32388502" z3="3.61644019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21159208" y3="-2.46150133" z3="5.14920855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0902833" y3="-1.77117437" z3="3.55833797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34998593" y3="-0.82583347" z3="4.06646185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91120462" y3="-2.48456076" z3="3.75481737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06969099" y3="-1.57045204" z3="2.46920774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00469995" y3="-2.34311402" z3="7.33891884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.266071" y3="-0.47134169" z3="6.57458372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30614983" y3="-0.2030084" z3="6.35939532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24848256" y3="-2.29392722" z3="7.61914941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83418191" y3="0.61749471" z3="10.85687216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99804309" y3="0.97300022" z3="11.8914006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60685316" y3="1.07961234" z3="10.21481476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.00622544" y3="-0.47416948" z3="10.84133293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57022349" y3="0.94848546" z3="10.35801571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32676608" y3="0.48664001" z3="11.01604237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.73661259" y3="2.04232771" z3="10.4175904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83253857" y3="0.45742728" z3="8.93298938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60824465" y3="-0.62322505" z3="8.869647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15219707" y3="0.96001702" z3="8.22110459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28688852" y3="0.70444586" z3="8.52517769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21472802" y3="0.35839803" z3="9.25568261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41690801" y3="1.58074335" z3="7.83508211">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8482,-3.9844,10.9758;-3.8751,-4.3924,11.044;-2.5681,-3.6193,11.9801;-2.1737,-4.8258,10.7274;-2.7559,-2.8715,9.9361;-1.7285,-2.4731,9.8981;-3.4016,-2.0156,10.1933;-3.1313,-3.3485,8.5353;-4.1272,-3.8296,8.5593;-2.3918,-4.0892,8.1783;-2.0728,-1.7456,7.1459;-1.1943,.1516,5.7276;-.2215,-.282,6.0235;-1.1187,1.242,5.9389;-1.3821,.0025,4.2061;-.5664,.5398,3.6804;-2.3192,.5154,3.9136;-1.4543,-1.443,3.703;-1.589,-1.4288,2.6014;-2.3581,-1.9157,4.128;-.2468,-2.32,4.0542;-.4082,-3.3239,3.6164;-.2116,-2.4615,5.1492;1.0903,-1.7712,3.5583;1.35,-.8258,4.0665;1.9112,-2.4846,3.7548;1.0697,-1.5705,2.4692;-1.0047,-2.3431,7.3389;-2.2661,-.4713,6.5746;-3.3061,-.203,6.3594;-3.2485,-2.2939,7.6191;.8342,.6175,10.8569;.998,.973,11.8914;1.6069,1.0796,10.2148;1.0062,-.4742,10.8413;-.5702,.9485,10.358;-1.3268,.4866,11.016;-.7366,2.0423,10.4176;-.8325,.4574,8.933;-.6082,-.6232,8.8696;-.1522,.96,8.2211;-2.2869,.7044,8.5252;-3.2147,.3584,9.2557;-2.4169,1.5807,7.8351;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605805987766</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000302871772 0.000081519639 0.012906021269 0.004447084393</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036579369 0.000068355 0.000160777 0.000528359 0.000687416 0.001160601 0.001499523 0.001750084 0.002792776 0.003362961 0.003907583 0.004955434 0.005531733 0.006130084 0.006782261 0.009328298 0.009418366 0.010025760 0.011943565 0.014127196 0.015056823 0.016240714 0.019808360 0.021768688 0.024659690 0.027698982 0.028812900 0.031238928 0.032174749 0.036710786 0.038959324 0.039942737 0.041074569 0.042546655 0.046306517 0.049768767 0.051270605 0.051363295 0.052364133 0.052917506 0.056094449 0.057595486 0.057760088 0.059053528 0.064757295 0.067042893 0.073736282 0.075330477 0.077354106 0.078312780 0.079288037 0.081566989 0.083188778 0.087581320 0.088988956 0.091442316 0.102702132 0.107801916 0.108424580 0.112415425 0.113982005 0.114960828 0.128935244 0.133772247 0.135537686 0.138868066 0.145797218 0.152024988 0.158085630 0.161870086 0.170785497 0.174316386 0.177041234 0.177982892 0.190379927 0.198668768 0.205367854 0.212989966 0.214695786 0.223195732 0.230993391 0.241558600 0.252748196 0.276052956 0.301891568 0.304067502 0.320312677 0.357271542 0.377712962 0.417254221 0.466035544 0.490391569 0.543294676 0.549647655 0.612052264 0.614097875 0.661739657 0.717080973 0.734966615 0.741819201 0.754648556 0.765005863 0.778588427 0.780788408 0.785705553 0.786959526 0.795379300 0.818581335 0.819465805 0.843696843 0.848798414 0.856239801 0.859563012 0.880800668 0.894528985 0.917762841 0.921149780 0.921518911 0.930015643 0.975254349 0.988262938 1.024043111 1.032734856 1.090435694 1.440928090 1.530685880</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">91</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84584495" y3="-3.98773859" z3="10.97366507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87470633" y3="-4.3897897" z3="11.04382934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.56188449" y3="-3.62435841" z3="11.97724931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.1767735" y3="-4.83301222" z3="10.72410271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74901207" y3="-2.87510082" z3="9.93382021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71930887" y3="-2.48273176" z3="9.8939425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.38979676" y3="-2.01602936" z3="10.19176208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12929553" y3="-3.34991399" z3="8.53346421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12686891" y3="-3.8278151" z3="8.5596559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39298535" y3="-4.09297764" z3="8.17431499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07013839" y3="-1.74597869" z3="7.14546907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19038532" y3="0.1512702" z3="5.72857163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21852623" y3="-0.28448738" z3="6.02444432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11330693" y3="1.24109719" z3="5.94224044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37718803" y3="0.00566673" z3="4.20649717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55804438" y3="0.53979841" z3="3.6826097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3114526" y3="0.52375699" z3="3.91358642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45594181" y3="-1.4387688" z3="3.70131659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59001009" y3="-1.42247797" z3="2.59975785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3621126" y3="-1.90758939" z3="4.12533345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25287402" y3="-2.32214534" z3="4.05173503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41939815" y3="-3.32489069" z3="3.61318126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21791609" y3="-2.4647159" z3="5.14662419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08656041" y3="-1.77942775" z3="3.55595478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35201447" y3="-0.83658675" z3="4.06584117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90370719" y3="-2.49746678" z3="3.7496137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0654668" y3="-1.57611287" z3="2.46767424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00202777" y3="-2.34342959" z3="7.33938811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26350719" y3="-0.47262282" z3="6.573024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30339063" y3="-0.20396382" z3="6.35744938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24614357" y3="-2.29448838" z3="7.61841345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83069754" y3="0.6253334" z3="10.86165266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99290747" y3="0.9847425" z3="11.89514875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.6043142" y3="1.08586194" z3="10.21894673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.00380687" y3="-0.46601557" z3="10.85079005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57363404" y3="0.95345927" z3="10.3603786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32992636" y3="0.49284786" z3="11.01937035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74134857" y3="2.04713888" z3="10.41662145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83470848" y3="0.45870697" z3="8.93637259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60997145" y3="-0.62214273" z3="8.87475934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15462605" y3="0.96042944" z3="8.22365324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28860058" y3="0.70486759" z3="8.52780342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21725296" y3="0.35741171" z3="9.25621147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41892767" y3="1.57977706" z3="7.83613193">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8458,-3.9877,10.9737;-3.8747,-4.3898,11.0438;-2.5619,-3.6244,11.9772;-2.1768,-4.833,10.7241;-2.749,-2.8751,9.9338;-1.7193,-2.4827,9.8939;-3.3898,-2.016,10.1918;-3.1293,-3.3499,8.5335;-4.1269,-3.8278,8.5597;-2.393,-4.093,8.1743;-2.0701,-1.746,7.1455;-1.1904,.1513,5.7286;-.2185,-.2845,6.0244;-1.1133,1.2411,5.9422;-1.3772,.0057,4.2065;-.558,.5398,3.6826;-2.3115,.5238,3.9136;-1.4559,-1.4388,3.7013;-1.59,-1.4225,2.5998;-2.3621,-1.9076,4.1253;-.2529,-2.3221,4.0517;-.4194,-3.3249,3.6132;-.2179,-2.4647,5.1466;1.0866,-1.7794,3.556;1.352,-.8366,4.0658;1.9037,-2.4975,3.7496;1.0655,-1.5761,2.4677;-1.002,-2.3434,7.3394;-2.2635,-.4726,6.573;-3.3034,-.204,6.3574;-3.2461,-2.2945,7.6184;.8307,.6253,10.8617;.9929,.9847,11.8951;1.6043,1.0859,10.2189;1.0038,-.466,10.8508;-.5736,.9535,10.3604;-1.3299,.4928,11.0194;-.7413,2.0471,10.4166;-.8347,.4587,8.9364;-.61,-.6221,8.8748;-.1546,.9604,8.2237;-2.2886,.7049,8.5278;-3.2173,.3574,9.2562;-2.4189,1.5798,7.8361;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605806169622</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000336665932 0.000085568231 0.008225099972 0.002385139000</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036579676 0.000088999 0.000149253 0.000531809 0.000690145 0.001162125 0.001500203 0.001758706 0.002792259 0.003367239 0.003914297 0.004955929 0.005532589 0.006137131 0.006782248 0.009327744 0.009415941 0.010024776 0.011943714 0.014127690 0.015059760 0.016232326 0.019808029 0.021770955 0.024661166 0.027700828 0.028813128 0.031240299 0.032174677 0.036713475 0.038961825 0.039943827 0.041075201 0.042547419 0.046306608 0.049769122 0.051271525 0.051363670 0.052364122 0.052917677 0.056093577 0.057596199 0.057759693 0.059053406 0.064760691 0.067043216 0.073736548 0.075330424 0.077354101 0.078313985 0.079288549 0.081566225 0.083186915 0.087581383 0.088988045 0.091440323 0.102702550 0.107802459 0.108424602 0.112418248 0.113981938 0.114961130 0.128934271 0.133771983 0.135534004 0.138870604 0.145798314 0.152027741 0.158086365 0.161869900 0.170784796 0.174313982 0.177041063 0.177986512 0.190378246 0.198668723 0.205370341 0.212990303 0.214694814 0.223197051 0.230992777 0.241562692 0.252749355 0.276052931 0.301873339 0.304063717 0.320303959 0.357275856 0.377714153 0.417254288 0.466036179 0.490391411 0.543299636 0.549647346 0.612059041 0.614097634 0.661740203 0.717079861 0.734966900 0.741820495 0.754648493 0.765006722 0.778588774 0.780788279 0.785703071 0.786963400 0.795381769 0.818583788 0.819466694 0.843695322 0.848799499 0.856256410 0.859563051 0.880800681 0.894530815 0.917764681 0.921149945 0.921518873 0.930027697 0.975255095 0.988261655 1.024047351 1.032734742 1.090435156 1.440928169 1.530685706</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">92</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84291711" y3="-3.98310088" z3="10.97591649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87324864" y3="-4.3815646" z3="11.04911593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55538521" y3="-3.6188827" z3="11.97842152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17713726" y3="-4.83103893" z3="10.72617084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74475598" y3="-2.872589" z3="9.93412383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71410134" y3="-2.48318252" z3="9.89194886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.38275372" y3="-2.01095768" z3="10.19168161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12865914" y3="-3.34863606" z3="8.53512864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1266541" y3="-3.82522666" z3="8.56417792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39421494" y3="-4.09315538" z3="8.17528223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07011269" y3="-1.74622034" z3="7.14499517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19038013" y3="0.15092603" z3="5.72777999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21855367" y3="-0.28496335" z3="6.02344451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11309734" y3="1.24071173" z3="5.9414963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37753697" y3="0.00564745" z3="4.2058134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55897034" y3="0.54042053" z3="3.68194876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31203388" y3="0.52325535" z3="3.91350327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45580015" y3="-1.43847325" z3="3.6998468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58953768" y3="-1.42162319" z3="2.59821571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36202496" y3="-1.90778398" z3="4.12329754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25269288" y3="-2.32168159" z3="4.05026793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41894294" y3="-3.32429161" z3="3.61141159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2180452" y3="-2.46455901" z3="5.14516542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08702823" y3="-1.77881105" z3="3.55516087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35135317" y3="-0.83543569" z3="4.06449585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90439407" y3="-2.49639648" z3="3.75064295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.067327" y3="-1.57659947" z3="2.46635609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00196418" y3="-2.34364816" z3="7.33856531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26349198" y3="-0.47267858" z3="6.57258649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30338448" y3="-0.2042863" z3="6.35665899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24583282" y3="-2.29443126" z3="7.61864172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.82711022" y3="0.62044575" z3="10.86321698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.98848612" y3="0.97679572" z3="11.89780429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60067969" y3="1.08292889" z3="10.22247081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.0002532" y3="-0.4709859" z3="10.84880967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57662228" y3="0.94982593" z3="10.36139599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.33400007" y3="0.48769021" z3="11.01825089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74417148" y3="2.04348496" z3="10.42004611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83584692" y3="0.45800225" z3="8.93608324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61103116" y3="-0.62255725" z3="8.87341995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.1543981" y3="0.96063295" z3="8.22529691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28936859" y3="0.70458946" z3="8.52556392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21873742" y3="0.35797019" z3="9.25363177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41858776" y3="1.5798208" z3="7.8341198">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8429,-3.9831,10.9759;-3.8732,-4.3816,11.0491;-2.5554,-3.6189,11.9784;-2.1771,-4.831,10.7262;-2.7448,-2.8726,9.9341;-1.7141,-2.4832,9.8919;-3.3828,-2.011,10.1917;-3.1287,-3.3486,8.5351;-4.1267,-3.8252,8.5642;-2.3942,-4.0932,8.1753;-2.0701,-1.7462,7.145;-1.1904,.1509,5.7278;-.2186,-.285,6.0234;-1.1131,1.2407,5.9415;-1.3775,.0056,4.2058;-.559,.5404,3.6819;-2.312,.5233,3.9135;-1.4558,-1.4385,3.6998;-1.5895,-1.4216,2.5982;-2.362,-1.9078,4.1233;-.2527,-2.3217,4.0503;-.4189,-3.3243,3.6114;-.218,-2.4646,5.1452;1.087,-1.7788,3.5552;1.3514,-.8354,4.0645;1.9044,-2.4964,3.7506;1.0673,-1.5766,2.4664;-1.002,-2.3436,7.3386;-2.2635,-.4727,6.5726;-3.3034,-.2043,6.3567;-3.2458,-2.2944,7.6186;.8271,.6204,10.8632;.9885,.9768,11.8978;1.6007,1.0829,10.2225;1.0003,-.471,10.8488;-.5766,.9498,10.3614;-1.334,.4877,11.0183;-.7442,2.0435,10.42;-.8358,.458,8.9361;-.611,-.6226,8.8734;-.1544,.9606,8.2253;-2.2894,.7046,8.5256;-3.2187,.358,9.2536;-2.4186,1.5798,7.8341;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605807024912</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000377848561 0.000080131234 0.012888592963 0.003442247209</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036580118 -0.000035071 0.000176277 0.000527385 0.000692493 0.001164629 0.001501673 0.001770666 0.002789593 0.003366884 0.003948820 0.004951403 0.005523573 0.006153034 0.006774990 0.009353201 0.009411335 0.010026650 0.011944712 0.014129309 0.015063164 0.016221298 0.019810437 0.021771644 0.024667232 0.027709096 0.028815873 0.031246171 0.032174702 0.036731565 0.038952145 0.039944504 0.041077755 0.042551089 0.046306698 0.049769840 0.051271774 0.051363488 0.052366242 0.052919938 0.056093656 0.057588944 0.057722501 0.059052581 0.064762753 0.067042614 0.073737473 0.075330742 0.077355678 0.078318371 0.079288763 0.081559234 0.083182907 0.087581457 0.088992128 0.091440392 0.102703501 0.107803973 0.108424888 0.112422754 0.113981954 0.114960259 0.128919611 0.133771874 0.135533780 0.138876182 0.145800596 0.152029535 0.158088034 0.161869788 0.170784733 0.174312277 0.177040345 0.177996556 0.190379100 0.198673226 0.205382607 0.212992826 0.214694584 0.223196595 0.230985416 0.241561053 0.252748239 0.276050784 0.301844959 0.304059701 0.320307358 0.357277677 0.377722141 0.417257096 0.466043130 0.490394296 0.543319130 0.549651783 0.612069654 0.614098043 0.661744413 0.717079575 0.734967403 0.741824633 0.754648855 0.765008363 0.778587760 0.780793903 0.785701407 0.786975426 0.795385026 0.818590306 0.819466954 0.843702431 0.848798591 0.856290602 0.859564662 0.880800890 0.894532544 0.917768516 0.921150172 0.921518746 0.930070296 0.975254093 0.988261785 1.024051183 1.032730491 1.090443401 1.440928908 1.530685510</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">93</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84013742" y3="-3.97678" z3="10.97919013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87250754" y3="-4.368676" z3="11.05632726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.54774422" y3="-3.61151327" z3="11.97973969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.18026965" y3="-4.82963887" z3="10.73017945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.73780345" y3="-2.869595" z3="9.93401022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.70492585" y3="-2.48603329" z3="9.88903676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.37081917" y3="-2.00404733" z3="10.18993009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12683736" y3="-3.34718195" z3="8.53690759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12591694" y3="-3.82133432" z3="8.5694961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39517702" y3="-4.09406153" z3="8.1761613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06999428" y3="-1.7461789" z3="7.14386453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19115322" y3="0.15107373" z3="5.72642284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21913965" y3="-0.28433762" z3="6.022264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11435578" y3="1.24093025" z3="5.93987971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37811316" y3="0.00524747" z3="4.20443252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.5595368" y3="0.54011977" z3="3.68045009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31283401" y3="0.52253365" z3="3.91169419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45559296" y3="-1.43913917" z3="3.69905375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58973349" y3="-1.42278979" z3="2.5975068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36131571" y3="-1.90887181" z3="4.12301365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25171676" y3="-2.3214136" z3="4.04924694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41728861" y3="-3.32420833" z3="3.61052619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.216668" y3="-2.46410041" z3="5.14412042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08723277" y3="-1.77744199" z3="3.55357056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35144184" y3="-0.83411783" z3="4.06315355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90511342" y3="-2.49450985" z3="3.74788146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06634691" y3="-1.57466278" z3="2.46512065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00159973" y3="-2.34349198" z3="7.33645172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26396411" y3="-0.47270125" z3="6.57145731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30397387" y3="-0.2046111" z3="6.35580661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24505778" y3="-2.2941319" z3="7.61913997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.82208605" y3="0.61304471" z3="10.86634736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.98111669" y3="0.96641592" z3="11.90239105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59826435" y3="1.07651143" z3="10.2288473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.9942694" y3="-0.47840581" z3="10.84986896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58033997" y3="0.94505122" z3="10.36235779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.33903891" y3="0.48144539" z3="11.01645853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74749103" y3="2.0385392" z3="10.42404124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83717368" y3="0.45777924" z3="8.9350617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61098543" y3="-0.62244669" z3="8.86879624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15557482" y3="0.96351317" z3="8.2266206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29029377" y3="0.70473205" z3="8.52332048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22070651" y3="0.35883208" z3="9.25053967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4184526" y3="1.5800404" z3="7.83168588">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8401,-3.9768,10.9792;-3.8725,-4.3687,11.0563;-2.5477,-3.6115,11.9797;-2.1803,-4.8296,10.7302;-2.7378,-2.8696,9.934;-1.7049,-2.486,9.889;-3.3708,-2.004,10.1899;-3.1268,-3.3472,8.5369;-4.1259,-3.8213,8.5695;-2.3952,-4.0941,8.1762;-2.07,-1.7462,7.1439;-1.1912,.1511,5.7264;-.2191,-.2843,6.0223;-1.1144,1.2409,5.9399;-1.3781,.0052,4.2044;-.5595,.5401,3.6805;-2.3128,.5225,3.9117;-1.4556,-1.4391,3.6991;-1.5897,-1.4228,2.5975;-2.3613,-1.9089,4.123;-.2517,-2.3214,4.0492;-.4173,-3.3242,3.6105;-.2167,-2.4641,5.1441;1.0872,-1.7774,3.5536;1.3514,-.8341,4.0632;1.9051,-2.4945,3.7479;1.0663,-1.5747,2.4651;-1.0016,-2.3435,7.3365;-2.264,-.4727,6.5715;-3.304,-.2046,6.3558;-3.2451,-2.2941,7.6191;.8221,.613,10.8663;.9811,.9664,11.9024;1.5983,1.0765,10.2288;.9943,-.4784,10.8499;-.5803,.9451,10.3624;-1.339,.4814,11.0165;-.7475,2.0385,10.424;-.8372,.4578,8.9351;-.611,-.6224,8.8688;-.1556,.9635,8.2266;-2.2903,.7047,8.5233;-3.2207,.3588,9.2505;-2.4185,1.58,7.8317;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605807919589</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000392973524 0.000087020604 0.020613604827 0.004981300765</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036581117 0.000015036 0.000149904 0.000527341 0.000692602 0.001164935 0.001501838 0.001773797 0.002789732 0.003369468 0.003955901 0.004950807 0.005522893 0.006165404 0.006775327 0.009356844 0.009408611 0.010024415 0.011945224 0.014131089 0.015070382 0.016216543 0.019811973 0.021772054 0.024670157 0.027711711 0.028816782 0.031248858 0.032174676 0.036741819 0.038953681 0.039945843 0.041078711 0.042552337 0.046306734 0.049770063 0.051271283 0.051363189 0.052366959 0.052921055 0.056093988 0.057587505 0.057719561 0.059052372 0.064767525 0.067042674 0.073737882 0.075330711 0.077358577 0.078320504 0.079289500 0.081558931 0.083180512 0.087581700 0.088993570 0.091439120 0.102703936 0.107805882 0.108424803 0.112428671 0.113981935 0.114960396 0.128915634 0.133770758 0.135531111 0.138878293 0.145803883 0.152033355 0.158088643 0.161869584 0.170784773 0.174310340 0.177040674 0.178003039 0.190385571 0.198673985 0.205386556 0.212994647 0.214697678 0.223196355 0.230986384 0.241566231 0.252746112 0.276048694 0.301820944 0.304056907 0.320302484 0.357288378 0.377725103 0.417257139 0.466042920 0.490392847 0.543337260 0.549651022 0.612081554 0.614097527 0.661745064 0.717078766 0.734968066 0.741829710 0.754649389 0.765009879 0.778587111 0.780793756 0.785699887 0.786986021 0.795388292 0.818594964 0.819468824 0.843698102 0.848801674 0.856335787 0.859564787 0.880800800 0.894535179 0.917771187 0.921150182 0.921520246 0.930104501 0.975254542 0.988259859 1.024058237 1.032720188 1.090444022 1.440930152 1.530685291</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">94</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83359118" y3="-3.97012223" z3="10.9814863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86971429" y3="-4.35118696" z3="11.06482213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53241825" y3="-3.60483906" z3="11.97964667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.18344811" y3="-4.83005817" z3="10.73184319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7256286" y3="-2.86730739" z3="9.93266268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.68975355" y3="-2.49330223" z3="9.88280653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.35020556" y3="-1.99513361" z3="10.18826188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12413494" y3="-3.34552224" z3="8.53829604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12487361" y3="-3.81548199" z3="8.57731782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39769923" y3="-4.09630724" z3="8.1749708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06840439" y3="-1.74606119" z3="7.14262044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.18963732" y3="0.15122286" z3="5.72525668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21786318" y3="-0.28472795" z3="6.02097759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11244459" y3="1.2409378" z3="5.93933739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.3766679" y3="0.00655089" z3="4.20322193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55753262" y3="0.54070405" z3="3.67970968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31057531" y3="0.52519927" z3="3.91097419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45642695" y3="-1.4372846" z3="3.69658214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58996526" y3="-1.41976279" z3="2.59493221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36329808" y3="-1.90575797" z3="4.11961466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2544297" y3="-2.32210746" z3="4.04682528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42205243" y3="-3.32449916" z3="3.60792101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21981219" y3="-2.465063" z3="5.14171228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08605995" y3="-1.78103202" z3="3.5517113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35157436" y3="-0.83790781" z3="4.06092602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90246032" y3="-2.49972709" z3="3.7474861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06683596" y3="-1.578989" z3="2.46282462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99974143" y3="-2.34297259" z3="7.3350212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26277433" y3="-0.47264207" z3="6.56993693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30278531" y3="-0.2051833" z3="6.35347774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2429385" y3="-2.29408282" z3="7.61865913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.81366257" y3="0.60724778" z3="10.87171211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.97028502" y3="0.955576" z3="11.90981863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59005854" y3="1.07451979" z3="10.23812026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.98653398" y3="-0.48425776" z3="10.84949151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.5875814" y3="0.94069876" z3="10.36565643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.34825929" y3="0.47428477" z3="11.01575429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75513196" y3="2.0340282" z3="10.43103954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.84021709" y3="0.45840149" z3="8.935854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61299093" y3="-0.62125857" z3="8.86722853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15650128" y3="0.96672664" z3="8.23105302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29256002" y3="0.70534767" z3="8.52036215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22449783" y3="0.36001834" z3="9.24599755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41927584" y3="1.58050128" z3="7.82844224">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8336,-3.9701,10.9815;-3.8697,-4.3512,11.0648;-2.5324,-3.6048,11.9796;-2.1834,-4.8301,10.7318;-2.7256,-2.8673,9.9327;-1.6898,-2.4933,9.8828;-3.3502,-1.9951,10.1883;-3.1241,-3.3455,8.5383;-4.1249,-3.8155,8.5773;-2.3977,-4.0963,8.175;-2.0684,-1.7461,7.1426;-1.1896,.1512,5.7253;-.2179,-.2847,6.021;-1.1124,1.2409,5.9393;-1.3767,.0066,4.2032;-.5575,.5407,3.6797;-2.3106,.5252,3.911;-1.4564,-1.4373,3.6966;-1.59,-1.4198,2.5949;-2.3633,-1.9058,4.1196;-.2544,-2.3221,4.0468;-.4221,-3.3245,3.6079;-.2198,-2.4651,5.1417;1.0861,-1.781,3.5517;1.3516,-.8379,4.0609;1.9025,-2.4997,3.7475;1.0668,-1.579,2.4628;-.9997,-2.343,7.335;-2.2628,-.4726,6.5699;-3.3028,-.2052,6.3535;-3.2429,-2.2941,7.6187;.8137,.6072,10.8717;.9703,.9556,11.9098;1.5901,1.0745,10.2381;.9865,-.4843,10.8495;-.5876,.9407,10.3657;-1.3483,.4743,11.0158;-.7551,2.034,10.431;-.8402,.4584,8.9359;-.613,-.6213,8.8672;-.1565,.9667,8.2311;-2.2926,.7053,8.5204;-3.2245,.36,9.246;-2.4193,1.5805,7.8284;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605808397321</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000495483598 0.000105115316 0.026873839872 0.007187418972</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036582368 0.000025201 0.000185872 0.000528796 0.000693394 0.001165038 0.001502118 0.001774106 0.002789461 0.003370095 0.003962087 0.004949491 0.005521438 0.006172304 0.006774622 0.009365876 0.009407751 0.010024908 0.011946635 0.014132899 0.015074522 0.016214099 0.019813979 0.021771387 0.024671563 0.027712461 0.028816874 0.031250011 0.032174801 0.036750801 0.038954509 0.039946163 0.041078891 0.042552802 0.046306777 0.049770067 0.051270572 0.051363155 0.052366755 0.052921660 0.056093700 0.057587422 0.057716795 0.059051851 0.064770074 0.067041919 0.073738378 0.075330614 0.077360212 0.078321748 0.079289783 0.081556973 0.083175381 0.087582062 0.088995156 0.091437569 0.102704070 0.107807275 0.108424749 0.112432686 0.113981955 0.114960246 0.128911761 0.133770015 0.135525999 0.138878466 0.145807649 0.152034363 0.158088993 0.161869211 0.170784401 0.174306850 0.177040066 0.178004785 0.190387376 0.198675998 0.205387533 0.212996436 0.214697316 0.223196551 0.230988172 0.241568960 0.252745079 0.276045028 0.301780429 0.304050425 0.320295593 0.357284703 0.377725824 0.417257017 0.466045188 0.490393062 0.543348781 0.549650877 0.612083762 0.614096749 0.661745462 0.717076777 0.734968276 0.741831330 0.754649639 0.765010192 0.778585396 0.780790990 0.785696259 0.786994039 0.795389187 0.818596367 0.819471575 0.843700375 0.848801908 0.856366378 0.859565644 0.880800810 0.894535284 0.917771557 0.921150426 0.921520571 0.930129345 0.975254589 0.988258253 1.024060704 1.032721791 1.090448272 1.440930524 1.530685033</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">95</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83098093" y3="-3.9563327" z3="10.98852311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86971716" y3="-4.32821171" z3="11.07760415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.52352896" y3="-3.58804912" z3="11.98337958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.18905999" y3="-4.82359327" z3="10.74153826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.71676731" y3="-2.8596803" z3="9.93330934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.6778663" y3="-2.49342034" z3="9.87946712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.3347822" y3="-1.98207193" z3="10.18477738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.121368" y3="-3.34208765" z3="8.54214466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.123046" y3="-3.80969639" z3="8.58621092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39786779" y3="-4.09557097" z3="8.17843608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06968594" y3="-1.74526006" z3="7.14046071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19420219" y3="0.15251237" z3="5.72175976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22119656" y3="-0.28035747" z3="6.01807041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11964408" y3="1.24284244" z3="5.93324007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38145804" y3="0.00342456" z3="4.20012677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56458351" y3="0.53964323" z3="3.67482993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31773974" y3="0.51765142" z3="3.90690617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45507133" y3="-1.44199451" z3="3.69715659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59017253" y3="-1.42774033" z3="2.59570691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3590868" y3="-1.913729" z3="4.12252109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24836823" y3="-2.32023109" z3="4.04772469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41125459" y3="-3.32407228" z3="3.61044289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21241443" y3="-2.46133462" z3="5.14275588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08863778" y3="-1.77302183" z3="3.55055212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35029756" y3="-0.82818581" z3="4.05861496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90873006" y3="-2.48733345" z3="3.74547244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06660035" y3="-1.57192398" z3="2.46184797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00040394" y3="-2.34181727" z3="7.33019126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26552796" y3="-0.47139081" z3="6.56876166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30600408" y3="-0.20490913" z3="6.353401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24267305" y3="-2.29307885" z3="7.61983637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.80689033" y3="0.58802487" z3="10.8746181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.9596551" y3="0.92870216" z3="11.91594798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58873185" y3="1.05739003" z3="10.24793785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.97692888" y3="-0.50346338" z3="10.84669772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.59168726" y3="0.92865001" z3="10.36559685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.35496108" y3="0.45898899" z3="11.00992404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75748511" y3="2.02163616" z3="10.43886744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.84088127" y3="0.45755657" z3="8.93156194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61090217" y3="-0.62122594" z3="8.85434383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15759846" y3="0.97283757" z3="8.23152978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29292804" y3="0.70551886" z3="8.51508196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22603906" y3="0.36210678" z3="9.24059981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41787959" y3="1.58168552" z3="7.82389526">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.831,-3.9563,10.9885;-3.8697,-4.3282,11.0776;-2.5235,-3.588,11.9834;-2.1891,-4.8236,10.7415;-2.7168,-2.8597,9.9333;-1.6779,-2.4934,9.8795;-3.3348,-1.9821,10.1848;-3.1214,-3.3421,8.5421;-4.123,-3.8097,8.5862;-2.3979,-4.0956,8.1784;-2.0697,-1.7453,7.1405;-1.1942,.1525,5.7218;-.2212,-.2804,6.0181;-1.1196,1.2428,5.9332;-1.3815,.0034,4.2001;-.5646,.5396,3.6748;-2.3177,.5177,3.9069;-1.4551,-1.442,3.6972;-1.5902,-1.4277,2.5957;-2.3591,-1.9137,4.1225;-.2484,-2.3202,4.0477;-.4113,-3.3241,3.6104;-.2124,-2.4613,5.1428;1.0886,-1.773,3.5506;1.3503,-.8282,4.0586;1.9087,-2.4873,3.7455;1.0666,-1.5719,2.4618;-1.0004,-2.3418,7.3302;-2.2655,-.4714,6.5688;-3.306,-.2049,6.3534;-3.2427,-2.2931,7.6198;.8069,.588,10.8746;.9597,.9287,11.9159;1.5887,1.0574,10.2479;.9769,-.5035,10.8467;-.5917,.9287,10.3656;-1.355,.459,11.0099;-.7575,2.0216,10.4389;-.8409,.4576,8.9316;-.6109,-.6212,8.8543;-.1576,.9728,8.2315;-2.2929,.7055,8.5151;-3.226,.3621,9.2406;-2.4179,1.5817,7.8239;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605807563934</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000676609029 0.000141267735 0.017105433610 0.004365248598</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036584594 0.000062619 0.000186830 0.000535650 0.000693985 0.001165027 0.001502719 0.001773982 0.002789459 0.003370628 0.003971591 0.004948128 0.005520560 0.006183410 0.006775196 0.009376555 0.009408113 0.010025912 0.011947479 0.014136125 0.015087965 0.016215074 0.019817848 0.021769677 0.024673918 0.027714118 0.028817496 0.031251570 0.032174952 0.036764380 0.038957764 0.039948009 0.041079438 0.042553111 0.046306834 0.049770156 0.051268740 0.051362319 0.052367341 0.052922060 0.056094933 0.057585937 0.057719166 0.059051731 0.064772695 0.067041835 0.073738775 0.075330631 0.077364880 0.078323446 0.079290252 0.081559175 0.083175069 0.087582492 0.088997598 0.091438248 0.102704067 0.107809789 0.108424649 0.112440204 0.113982004 0.114960434 0.128910892 0.133768730 0.135523545 0.138878954 0.145814001 0.152036760 0.158089563 0.161869024 0.170784999 0.174305005 0.177041161 0.178007586 0.190396366 0.198676122 0.205390722 0.212998220 0.214701283 0.223195285 0.230993733 0.241577212 0.252739944 0.276041498 0.301773648 0.304048936 0.320291324 0.357292740 0.377730552 0.417256480 0.466044794 0.490392893 0.543363357 0.549651337 0.612095430 0.614097359 0.661745167 0.717075811 0.734968413 0.741834984 0.754650170 0.765010769 0.778584066 0.780787422 0.785695756 0.787011059 0.795390378 0.818598222 0.819471129 0.843703420 0.848806253 0.856419906 0.859565679 0.880800846 0.894536884 0.917772168 0.921149962 0.921523964 0.930162803 0.975256022 0.988257902 1.024068508 1.032729068 1.090448304 1.440930517 1.530684996</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">96</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83400518" y3="-3.96429698" z3="10.98451217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8698123" y3="-4.34531715" z3="11.06855061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53292461" y3="-3.59738278" z3="11.98191424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.18391569" y3="-4.8246325" z3="10.73637578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.72614321" y3="-2.86313167" z3="9.93385402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.69038749" y3="-2.48878427" z3="9.88366087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.35097818" y3="-1.99096892" z3="10.18768944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12425171" y3="-3.34353774" z3="8.54020533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12462344" y3="-3.81417663" z3="8.57963416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39721202" y3="-4.09407924" z3="8.17773801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07028376" y3="-1.74520669" z3="7.14206962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19326817" y3="0.15213864" z3="5.723539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22059575" y3="-0.28148432" z3="6.01978613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11794771" y3="1.24237945" z3="5.93531504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38058402" y3="0.00369647" z3="4.20189093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56357114" y3="0.5397321" z3="3.67682478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31656388" y3="0.51840864" z3="3.9089986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45508118" y3="-1.44146206" z3="3.69826015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58984618" y3="-1.42666283" z3="2.59675442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35958353" y3="-1.91277791" z3="4.12313595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24910707" y3="-2.32067517" z3="4.04889185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41266193" y3="-3.32430268" z3="3.61132672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21349118" y3="-2.462117" z3="5.1439067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08861702" y3="-1.77441205" z3="3.55227707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35074349" y3="-0.82979608" z3="4.06050359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90812359" y3="-2.48945416" z3="3.74769867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06740685" y3="-1.57325648" z3="2.4634183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00141833" y3="-2.34206572" z3="7.33312176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26515167" y3="-0.4713209" z3="6.57018482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30542" y3="-0.20426967" z3="6.35443088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24416094" y3="-2.29304041" z3="7.61953968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.813247" y3="0.59693074" z3="10.87049033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.96908009" y3="0.94092504" z3="11.91014702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59161805" y3="1.06534549" z3="10.23976577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.98448234" y3="-0.49462914" z3="10.84460786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58706184" y3="0.93440846" z3="10.36437532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.34864499" y3="0.46645642" z3="11.01206886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75341819" y3="2.02757405" z3="10.43399299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83921323" y3="0.4579591" z3="8.9326629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.6108147" y3="-0.62124818" z3="8.85956284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15607047" y3="0.96973964" z3="8.22988773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29178244" y3="0.70546937" z3="8.51773307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22361854" y3="0.36114971" z3="9.24430625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41806555" y3="1.58156332" z3="7.8267626">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.834,-3.9643,10.9845;-3.8698,-4.3453,11.0686;-2.5329,-3.5974,11.9819;-2.1839,-4.8246,10.7364;-2.7261,-2.8631,9.9339;-1.6904,-2.4888,9.8837;-3.351,-1.991,10.1877;-3.1243,-3.3435,8.5402;-4.1246,-3.8142,8.5796;-2.3972,-4.0941,8.1777;-2.0703,-1.7452,7.1421;-1.1933,.1521,5.7235;-.2206,-.2815,6.0198;-1.1179,1.2424,5.9353;-1.3806,.0037,4.2019;-.5636,.5397,3.6768;-2.3166,.5184,3.909;-1.4551,-1.4415,3.6983;-1.5898,-1.4267,2.5968;-2.3596,-1.9128,4.1231;-.2491,-2.3207,4.0489;-.4127,-3.3243,3.6113;-.2135,-2.4621,5.1439;1.0886,-1.7744,3.5523;1.3507,-.8298,4.0605;1.9081,-2.4895,3.7477;1.0674,-1.5733,2.4634;-1.0014,-2.3421,7.3331;-2.2652,-.4713,6.5702;-3.3054,-.2043,6.3544;-3.2442,-2.293,7.6195;.8132,.5969,10.8705;.9691,.9409,11.9101;1.5916,1.0653,10.2398;.9845,-.4946,10.8446;-.5871,.9344,10.3644;-1.3486,.4665,11.0121;-.7534,2.0276,10.434;-.8392,.458,8.9327;-.6108,-.6212,8.8596;-.1561,.9697,8.2299;-2.2918,.7055,8.5177;-3.2236,.3611,9.2443;-2.4181,1.5816,7.8268;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605809525870</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000173736661 0.000041191208 0.026010278113 0.006320534823</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002590126899 0.001726751266</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036586398 0.000005373 0.000201053 0.000547044 0.000693861 0.001165748 0.001503391 0.001774395 0.002788693 0.003369400 0.003988857 0.004944399 0.005514764 0.006191915 0.006770115 0.009394328 0.009400166 0.010025523 0.011947714 0.014133341 0.015088204 0.016201109 0.019822215 0.021773280 0.024676211 0.027715714 0.028817623 0.031253079 0.032175096 0.036778875 0.038950315 0.039947562 0.041079744 0.042553516 0.046306940 0.049770293 0.051269323 0.051362593 0.052367620 0.052924604 0.056094738 0.057574070 0.057693493 0.059051830 0.064773171 0.067040824 0.073738988 0.075330562 0.077368245 0.078324980 0.079291022 0.081556418 0.083176329 0.087582991 0.089000380 0.091446697 0.102704259 0.107812134 0.108424565 0.112445800 0.113981936 0.114960014 0.128895583 0.133769204 0.135527979 0.138878935 0.145821001 0.152035550 0.158089635 0.161869271 0.170785011 0.174307329 0.177041505 0.178008426 0.190405111 0.198676216 0.205396198 0.212999608 0.214699814 0.223195183 0.230984303 0.241579088 0.252743356 0.276044915 0.301785684 0.304054685 0.320298085 0.357300475 0.377733156 0.417256963 0.466043641 0.490391027 0.543371918 0.549650578 0.612099106 0.614097109 0.661745420 0.717076808 0.734968477 0.741837135 0.754650505 0.765010871 0.778585177 0.780790976 0.785698827 0.787020427 0.795390580 0.818598997 0.819471649 0.843695123 0.848805541 0.856447061 0.859565320 0.880801044 0.894536448 0.917772216 0.921150174 0.921523879 0.930180106 0.975254735 0.988258953 1.024068140 1.032718440 1.090450042 1.440930954 1.530684997</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">97</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83876895" y3="-3.97672158" z3="10.97857603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87282149" y3="-4.36393064" z3="11.05747403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.54333985" y3="-3.61202828" z3="11.97845121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.1830312" y3="-4.83282067" z3="10.72915789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.73296739" y3="-2.87060405" z3="9.93249759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.69841203" y3="-2.4913548" z3="9.88605024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.36242384" y3="-2.00245878" z3="10.18847396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12515071" y3="-3.34753907" z3="8.53606321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12493028" y3="-3.82011973" z3="8.57046132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39531273" y3="-4.0956647" z3="8.17397644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06870798" y3="-1.74593649" z3="7.143285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19027167" y3="0.15176341" z3="5.72635702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21831226" y3="-0.28375399" z3="6.02214622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1135181" y3="1.24153877" z3="5.94027834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37704106" y3="0.00659408" z3="4.20427216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55758008" y3="0.54045482" z3="3.68068416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31092789" y3="0.52528124" z3="3.91143408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45660075" y3="-1.43754291" z3="3.69846337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58991691" y3="-1.42064851" z3="2.59677502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3635118" y3="-1.90577628" z3="4.12165432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25458071" y3="-2.32213246" z3="4.04945007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42194651" y3="-3.32470175" z3="3.61088352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2202646" y3="-2.46465884" z3="5.14441617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08583116" y3="-1.78101354" z3="3.55440773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35111149" y3="-0.83768405" z3="4.06337372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90232692" y3="-2.49938818" z3="3.75035104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06650279" y3="-1.57928569" z3="2.46559733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00007901" y3="-2.34289463" z3="7.33585794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26311819" y3="-0.47250897" z3="6.57095223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30317843" y3="-0.20484864" z3="6.35506866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24356291" y3="-2.29438709" z3="7.61842336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.81996042" y3="0.61418145" z3="10.86811288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.97763478" y3="0.96693532" z3="11.90462687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59649284" y3="1.07902812" z3="10.23176595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.9933532" y3="-0.47693935" z3="10.85111431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58235312" y3="0.94515848" z3="10.36330642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.34103432" y3="0.48020223" z3="11.0165562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75057175" y3="2.03847497" z3="10.42596217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83794643" y3="0.45883829" z3="8.93539456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61081133" y3="-0.62116897" z3="8.86838586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15654346" y3="0.96569107" z3="8.22760363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29102349" y3="0.70500747" z3="8.5231012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.2216278" y3="0.35861089" z3="9.24980678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41938635" y3="1.58013934" z3="7.83132263">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8388,-3.9767,10.9786;-3.8728,-4.3639,11.0575;-2.5433,-3.612,11.9785;-2.183,-4.8328,10.7292;-2.733,-2.8706,9.9325;-1.6984,-2.4914,9.8861;-3.3624,-2.0025,10.1885;-3.1252,-3.3475,8.5361;-4.1249,-3.8201,8.5705;-2.3953,-4.0957,8.174;-2.0687,-1.7459,7.1433;-1.1903,.1518,5.7264;-.2183,-.2838,6.0221;-1.1135,1.2415,5.9403;-1.377,.0066,4.2043;-.5576,.5405,3.6807;-2.3109,.5253,3.9114;-1.4566,-1.4375,3.6985;-1.5899,-1.4206,2.5968;-2.3635,-1.9058,4.1217;-.2546,-2.3221,4.0495;-.4219,-3.3247,3.6109;-.2203,-2.4647,5.1444;1.0858,-1.781,3.5544;1.3511,-.8377,4.0634;1.9023,-2.4994,3.7504;1.0665,-1.5793,2.4656;-1.0001,-2.3429,7.3359;-2.2631,-.4725,6.571;-3.3032,-.2048,6.3551;-3.2436,-2.2944,7.6184;.82,.6142,10.8681;.9776,.9669,11.9046;1.5965,1.079,10.2318;.9934,-.4769,10.8511;-.5824,.9452,10.3633;-1.341,.4802,11.0166;-.7506,2.0385,10.426;-.8379,.4588,8.9354;-.6108,-.6212,8.8684;-.1565,.9657,8.2276;-2.291,.705,8.5231;-3.2216,.3586,9.2498;-2.4194,1.5801,7.8313;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605809011222</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000588194826 0.000119809514 0.017758744474 0.004704599434</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036592501 0.000071354 0.000137444 0.000551324 0.000694069 0.001140820 0.001506371 0.001789762 0.002754643 0.003331930 0.003934620 0.004842676 0.005415834 0.006218152 0.006621603 0.008705608 0.009421140 0.009900562 0.011931312 0.014096408 0.015091382 0.015775735 0.019808387 0.021783507 0.024672788 0.027710733 0.028816858 0.031255524 0.032175312 0.036766225 0.038817306 0.039943529 0.041079797 0.042551891 0.046306657 0.049770843 0.051270177 0.051363251 0.052367404 0.052917440 0.056094479 0.056619011 0.057628588 0.059043528 0.064761253 0.067025246 0.073740048 0.075327736 0.077374434 0.078328999 0.079292626 0.081492351 0.083134951 0.087584415 0.088964188 0.091416839 0.102704757 0.107816765 0.108421352 0.112458019 0.113980644 0.114949317 0.128552719 0.133741320 0.135528375 0.138879585 0.145836008 0.151997095 0.158086238 0.161869262 0.170784489 0.174306228 0.177038696 0.178010551 0.190409905 0.198632613 0.205383344 0.213002687 0.214681211 0.223180092 0.230677872 0.241542690 0.252738677 0.276044980 0.301055446 0.304040556 0.320267318 0.357286505 0.377730932 0.417251401 0.465991150 0.490311739 0.543367572 0.549591665 0.612090717 0.614050305 0.661732752 0.717059369 0.734967657 0.741835923 0.754650021 0.765010255 0.778585638 0.780789802 0.785689414 0.787017680 0.795390840 0.818596021 0.819470842 0.843308184 0.848772579 0.856429692 0.859535636 0.880794063 0.894533268 0.917771655 0.921143474 0.921487810 0.930178993 0.975197809 0.988169742 1.024015399 1.031895444 1.090332452 1.440929564 1.530675191</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">98</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83344655" y3="-3.96914071" z3="10.98137451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87048676" y3="-4.34686982" z3="11.06565475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53059899" y3="-3.60409467" z3="11.97891771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.18625008" y3="-4.83147931" z3="10.73206223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.72251151" y3="-2.86721514" z3="9.93167442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.68542288" y3="-2.49626283" z3="9.88116663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.3446651" y3="-1.99337925" z3="10.1865241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12280372" y3="-3.34514294" z3="8.53777505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12391841" y3="-3.81424291" z3="8.57761629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39726192" y3="-4.09644304" z3="8.17367002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06826647" y3="-1.74491631" z3="7.14220988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19052582" y3="0.15255559" z3="5.72467949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21841807" y3="-0.28241094" z3="6.02084723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11422188" y3="1.24249373" z3="5.93783216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37721051" y3="0.00628862" z3="4.2026919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55781115" y3="0.5399008" z3="3.67880166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31111586" y3="0.52468465" z3="3.90948679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45666339" y3="-1.43813344" z3="3.69767564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59025186" y3="-1.4218388" z3="2.59604046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36340647" y3="-1.90627837" z3="4.12125788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25451576" y3="-2.3223891" z3="4.04877272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42201733" y3="-3.32525968" z3="3.61094361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21978961" y3="-2.46414614" z3="5.143774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08566923" y3="-1.78157765" z3="3.55293263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35115951" y3="-0.8379026" z3="4.06117028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90217109" y3="-2.49982201" z3="3.74909522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06598196" y3="-1.58061307" z3="2.4640377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99928217" y3="-2.34138828" z3="7.33421908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26323222" y3="-0.47140634" z3="6.56984419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30339097" y3="-0.20445659" z3="6.35346958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24234078" y3="-2.29341341" z3="7.61852936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.8126281" y3="0.60503379" z3="10.87205037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.96790308" y3="0.95140059" z3="11.91100618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59019935" y3="1.07367674" z3="10.24035402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.98590555" y3="-0.48618673" z3="10.84841857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58839055" y3="0.93899524" z3="10.36560172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.34885169" y3="0.47090139" z3="11.01445719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75668456" y3="2.03197248" z3="10.43330112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.840192" y3="0.45965873" z3="8.93475834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61132884" y3="-0.61960179" z3="8.86337202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15750191" y3="0.97066608" z3="8.23104277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29275561" y3="0.70583499" z3="8.51969579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22456704" y3="0.36000941" z3="9.24538143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.41988118" y3="1.58132636" z3="7.82818618">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8334,-3.9691,10.9814;-3.8705,-4.3469,11.0657;-2.5306,-3.6041,11.9789;-2.1863,-4.8315,10.7321;-2.7225,-2.8672,9.9317;-1.6854,-2.4963,9.8812;-3.3447,-1.9934,10.1865;-3.1228,-3.3451,8.5378;-4.1239,-3.8142,8.5776;-2.3973,-4.0964,8.1737;-2.0683,-1.7449,7.1422;-1.1905,.1526,5.7247;-.2184,-.2824,6.0208;-1.1142,1.2425,5.9378;-1.3772,.0063,4.2027;-.5578,.5399,3.6788;-2.3111,.5247,3.9095;-1.4567,-1.4381,3.6977;-1.5903,-1.4218,2.596;-2.3634,-1.9063,4.1213;-.2545,-2.3224,4.0488;-.422,-3.3253,3.6109;-.2198,-2.4641,5.1438;1.0857,-1.7816,3.5529;1.3512,-.8379,4.0612;1.9022,-2.4998,3.7491;1.066,-1.5806,2.464;-.9993,-2.3414,7.3342;-2.2632,-.4714,6.5698;-3.3034,-.2045,6.3535;-3.2423,-2.2934,7.6185;.8126,.605,10.8721;.9679,.9514,11.911;1.5902,1.0737,10.2404;.9859,-.4862,10.8484;-.5884,.939,10.3656;-1.3489,.4709,11.0145;-.7567,2.032,10.4333;-.8402,.4597,8.9348;-.6113,-.6196,8.8634;-.1575,.9707,8.231;-2.2928,.7058,8.5197;-3.2246,.36,9.2454;-2.4199,1.5813,7.8282;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605810456927</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000275762703 0.000051739482 0.007155416830 0.002266712005</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001631837790 0.001087891860</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036599492 0.000097028 0.000234340 0.000532918 0.000687861 0.000970097 0.001501844 0.001751970 0.002473636 0.003130421 0.003608107 0.004560680 0.005258953 0.006247221 0.006379113 0.007866101 0.009435139 0.009866257 0.011913249 0.014057127 0.015023208 0.015463957 0.019801729 0.021784777 0.024670449 0.027706699 0.028815643 0.031256737 0.032174991 0.036729518 0.038667076 0.039934209 0.041080077 0.042546571 0.046306239 0.049770931 0.051265079 0.051361623 0.052365872 0.052882554 0.055346411 0.056095755 0.057626135 0.059040845 0.064764049 0.067001675 0.073739140 0.075324569 0.077380997 0.078331401 0.079294408 0.081387520 0.083052675 0.087585858 0.088930389 0.091376332 0.102704980 0.107820774 0.108415940 0.112470251 0.113977693 0.114931203 0.128007225 0.133701520 0.135525189 0.138880025 0.145842694 0.151958510 0.158084238 0.161867902 0.170784341 0.174295389 0.177032287 0.178013503 0.190414996 0.198565640 0.205368016 0.213004014 0.214651748 0.223152077 0.230288410 0.241499153 0.252737334 0.276037506 0.299545244 0.304021894 0.320208327 0.357242254 0.377727164 0.417239154 0.465890080 0.490161110 0.543359064 0.549495016 0.612073596 0.613977629 0.661718303 0.717035437 0.734963898 0.741836265 0.754649161 0.765010232 0.778583268 0.780783759 0.785671391 0.787020259 0.795390484 0.818594830 0.819470310 0.842616369 0.848717986 0.856437499 0.859491970 0.880782547 0.894520958 0.917771400 0.921136296 0.921445237 0.930183121 0.975098791 0.988028264 1.023913893 1.030528614 1.090081228 1.440927401 1.530653530</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">99</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83325726" y3="-3.97347508" z3="10.97732092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87015883" y3="-4.35196337" z3="11.06035661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53098976" y3="-3.61002594" z3="11.97562998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.18544824" y3="-4.83489047" z3="10.72693677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7223905" y3="-2.86978757" z3="9.92952935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.68555359" y3="-2.49835213" z3="9.8796768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.34487734" y3="-1.99646855" z3="10.18569711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12252698" y3="-3.34564063" z3="8.5349027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12369987" y3="-3.81474026" z3="8.5740995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39700775" y3="-4.0964971" z3="8.1697504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0675899" y3="-1.74316618" z3="7.14237152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19020572" y3="0.15447118" z3="5.72492132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2178856" y3="-0.27967344" z3="6.02148112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11462746" y3="1.24460135" z3="5.93728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37667237" y3="0.00682618" z3="4.20302097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55668751" y3="0.53904057" z3="3.67876747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.30994062" y3="0.52582701" z3="3.90912308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45769007" y3="-1.43803822" z3="3.69946738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59072313" y3="-1.4227663" z3="2.59774831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3652815" y3="-1.90448501" z3="4.12310202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25699073" y3="-2.32359363" z3="4.05217284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42605657" y3="-3.32698488" z3="3.61613123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22253819" y3="-2.46350813" z3="5.1474075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08416744" y3="-1.78589288" z3="3.55560453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35058739" y3="-0.84126849" z3="4.06157287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89957254" y3="-2.5048146" z3="3.75423724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06551857" y3="-1.58776849" z3="2.46609724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99845098" y3="-2.33912968" z3="7.33521157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26270637" y3="-0.46959358" z3="6.57026151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30291253" y3="-0.20310463" z3="6.35352984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24179085" y3="-2.29264596" z3="7.61707901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.81404843" y3="0.60892078" z3="10.87177851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.96929234" y3="0.95475214" z3="11.91090353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59060192" y3="1.0788483" z3="10.2400733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.98854036" y3="-0.48220789" z3="10.84723856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58757408" y3="0.94152964" z3="10.36592735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.34749243" y3="0.47253812" z3="11.01488989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75687523" y3="2.03437867" z3="10.43383866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83950781" y3="0.46219084" z3="8.9350711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60981179" y3="-0.61682554" z3="8.8635683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15745613" y3="0.97398931" z3="8.23123936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29259562" y3="0.70685776" z3="8.52074867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22347559" y3="0.3594054" z3="9.24680896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42124188" y3="1.58251872" z3="7.82979797">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8333,-3.9735,10.9773;-3.8702,-4.352,11.0604;-2.531,-3.61,11.9756;-2.1854,-4.8349,10.7269;-2.7224,-2.8698,9.9295;-1.6856,-2.4984,9.8797;-3.3449,-1.9965,10.1857;-3.1225,-3.3456,8.5349;-4.1237,-3.8147,8.5741;-2.397,-4.0965,8.1698;-2.0676,-1.7432,7.1424;-1.1902,.1545,5.7249;-.2179,-.2797,6.0215;-1.1146,1.2446,5.9373;-1.3767,.0068,4.203;-.5567,.539,3.6788;-2.3099,.5258,3.9091;-1.4577,-1.438,3.6995;-1.5907,-1.4228,2.5977;-2.3653,-1.9045,4.1231;-.257,-2.3236,4.0522;-.4261,-3.327,3.6161;-.2225,-2.4635,5.1474;1.0842,-1.7859,3.5556;1.3506,-.8413,4.0616;1.8996,-2.5048,3.7542;1.0655,-1.5878,2.4661;-.9985,-2.3391,7.3352;-2.2627,-.4696,6.5703;-3.3029,-.2031,6.3535;-3.2418,-2.2926,7.6171;.814,.6089,10.8718;.9693,.9548,11.9109;1.5906,1.0788,10.2401;.9885,-.4822,10.8472;-.5876,.9415,10.3659;-1.3475,.4725,11.0149;-.7569,2.0344,10.4338;-.8395,.4622,8.9351;-.6098,-.6168,8.8636;-.1575,.974,8.2312;-2.2926,.7069,8.5207;-3.2235,.3594,9.2468;-2.4212,1.5825,7.8298;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605811713053</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000275400578 0.000060889355 0.008699306117 0.003055012712</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001633983497 0.001089322331</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036602929 0.000113308 0.000164216 0.000419811 0.000720973 0.000873748 0.001496980 0.001719064 0.002274957 0.003046951 0.003535655 0.004535654 0.005237793 0.006259532 0.006327467 0.007734307 0.009442231 0.009863792 0.011910627 0.014051672 0.015030769 0.015423723 0.019800474 0.021788977 0.024669840 0.027705623 0.028815358 0.031257164 0.032174989 0.036713867 0.038649997 0.039934356 0.041080223 0.042546159 0.046306137 0.049771195 0.051263825 0.051361229 0.052366036 0.052868441 0.055099758 0.056095573 0.057625869 0.059040997 0.064769084 0.067001263 0.073738575 0.075324205 0.077383719 0.078332036 0.079295578 0.081370945 0.083040973 0.087586514 0.088920776 0.091365981 0.102705060 0.107822568 0.108414935 0.112477348 0.113976858 0.114927237 0.127894443 0.133692277 0.135525888 0.138880301 0.145845335 0.151956006 0.158085761 0.161867897 0.170784115 0.174293174 0.177032603 0.178015021 0.190424774 0.198545603 0.205363454 0.213003494 0.214649489 0.223140638 0.230200068 0.241501821 0.252738573 0.276035421 0.299269979 0.304021021 0.320186817 0.357243391 0.377726868 0.417236724 0.465865269 0.490136875 0.543347420 0.549482265 0.612077766 0.613971182 0.661715558 0.717029893 0.734963917 0.741833375 0.754649281 0.765010062 0.778582906 0.780784247 0.785672509 0.787018286 0.795389996 0.818592840 0.819470464 0.842505720 0.848717625 0.856425109 0.859482427 0.880780407 0.894519268 0.917771273 0.921135344 0.921440526 0.930187434 0.975078300 0.988008262 1.023893586 1.030252472 1.089996588 1.440922701 1.530644997</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">100</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83101597" y3="-3.97769823" z3="10.97316769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86773258" y3="-4.35641381" z3="11.0559579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.52815695" y3="-3.61644697" z3="11.97208075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.18346592" y3="-4.83879599" z3="10.72045595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.72067828" y3="-2.871846" z3="9.92770626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.68361067" y3="-2.50073902" z3="9.87757334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.34270647" y3="-1.99916764" z3="10.18629611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12234911" y3="-3.34454128" z3="8.53248116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12368153" y3="-3.81299818" z3="8.57141781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.3976585" y3="-4.09501899" z3="8.16514857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.06790144" y3="-1.7398569" z3="7.14248524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19000439" y3="0.15719341" z3="5.72497494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21771867" y3="-0.27637932" z3="6.02265962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11476827" y3="1.24764054" z3="5.93575131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37558474" y3="0.0072487" z3="4.20310354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55413795" y3="0.5372624" z3="3.6787145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.30775936" y3="0.52737982" z3="3.907407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45870989" y3="-1.43830745" z3="3.70173183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59089797" y3="-1.42439591" z3="2.59987046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36755063" y3="-1.90250102" z3="4.12527755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25996832" y3="-2.32565947" z3="4.05670164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.43109527" y3="-3.32952864" z3="3.62252636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22618489" y3="-2.46354224" z3="5.15221143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08262256" y3="-1.79178934" z3="3.55980692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35061247" y3="-0.8463912" z3="4.06356999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89639478" y3="-2.51173229" z3="3.76100618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06516866" y3="-1.5964678" z3="2.46983535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99862622" y3="-2.33562212" z3="7.33527596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26279185" y3="-0.46589779" z3="6.57084875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30294078" y3="-0.19970288" z3="6.35332834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24194565" y3="-2.28960241" z3="7.61686325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.81429048" y3="0.61150733" z3="10.87097355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.96765887" y3="0.95339333" z3="11.91174172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.58990504" y3="1.08711049" z3="10.24192402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.99290687" y3="-0.47864394" z3="10.84203821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58827435" y3="0.9411805" z3="10.36620748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.34642661" y3="0.46719863" z3="11.01349956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76131477" y3="2.03316768" z3="10.43844382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83889999" y3="0.46620331" z3="8.93366647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60618276" y3="-0.61203365" z3="8.85840657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15862663" y3="0.98242386" z3="8.23142839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29276033" y3="0.70834592" z3="8.5202307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.2226571" y3="0.35879194" z3="9.246851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42313672" y3="1.58505994" z3="7.83072569">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.831,-3.9777,10.9732;-3.8677,-4.3564,11.056;-2.5282,-3.6164,11.9721;-2.1835,-4.8388,10.7205;-2.7207,-2.8718,9.9277;-1.6836,-2.5007,9.8776;-3.3427,-1.9992,10.1863;-3.1223,-3.3445,8.5325;-4.1237,-3.813,8.5714;-2.3977,-4.095,8.1651;-2.0679,-1.7399,7.1425;-1.19,.1572,5.725;-.2177,-.2764,6.0227;-1.1148,1.2476,5.9358;-1.3756,.0072,4.2031;-.5541,.5373,3.6787;-2.3078,.5274,3.9074;-1.4587,-1.4383,3.7017;-1.5909,-1.4244,2.5999;-2.3676,-1.9025,4.1253;-.26,-2.3257,4.0567;-.4311,-3.3295,3.6225;-.2262,-2.4635,5.1522;1.0826,-1.7918,3.5598;1.3506,-.8464,4.0636;1.8964,-2.5117,3.761;1.0652,-1.5965,2.4698;-.9986,-2.3356,7.3353;-2.2628,-.4659,6.5708;-3.3029,-.1997,6.3533;-3.2419,-2.2896,7.6169;.8143,.6115,10.871;.9677,.9534,11.9117;1.5899,1.0871,10.2419;.9929,-.4786,10.842;-.5883,.9412,10.3662;-1.3464,.4672,11.0135;-.7613,2.0332,10.4384;-.8389,.4662,8.9337;-.6062,-.612,8.8584;-.1586,.9824,8.2314;-2.2928,.7083,8.5202;-3.2227,.3588,9.2469;-2.4231,1.5851,7.8307;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605813018609</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000325980423 0.000069785883 0.007689704104 0.002647027300</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036607863 0.000113674 0.000266211 0.000371967 0.000709508 0.000817846 0.001495905 0.001711894 0.002237913 0.003035170 0.003530036 0.004531124 0.005234681 0.006264819 0.006321287 0.007715794 0.009444431 0.009863693 0.011910927 0.014055047 0.015042371 0.015419392 0.019801186 0.021791355 0.024669966 0.027705559 0.028814982 0.031257632 0.032175089 0.036714333 0.038648054 0.039934310 0.041080221 0.042546512 0.046306269 0.049771297 0.051264312 0.051361822 0.052366086 0.052866992 0.055059411 0.056095094 0.057625804 0.059041716 0.064770297 0.067002042 0.073739558 0.075323990 0.077383933 0.078333699 0.079296580 0.081367780 0.083035057 0.087586704 0.088919689 0.091364123 0.102705066 0.107824199 0.108414793 0.112479362 0.113976762 0.114926540 0.127875314 0.133691996 0.135527935 0.138880541 0.145848903 0.151956149 0.158087594 0.161867773 0.170783800 0.174292345 0.177033107 0.178015622 0.190429121 0.198542892 0.205362732 0.213004390 0.214648895 0.223140783 0.230188731 0.241506448 0.252740544 0.276037135 0.299218444 0.304020022 0.320184410 0.357242436 0.377726491 0.417236426 0.465864131 0.490133264 0.543349560 0.549480505 0.612078671 0.613970942 0.661715289 0.717028958 0.734964431 0.741834988 0.754649190 0.765010047 0.778582931 0.780785032 0.785673454 0.787025388 0.795390563 0.818592880 0.819471425 0.842490053 0.848719504 0.856448154 0.859481127 0.880780338 0.894518852 0.917771181 0.921135293 0.921440097 0.930195771 0.975075239 0.988004917 1.023890150 1.030214552 1.089988503 1.440924125 1.530646260</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">101</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83160118" y3="-3.97955124" z3="10.97049015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86748304" y3="-4.36140483" z3="11.0514049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53096129" y3="-3.61912451" z3="11.97033641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.18120264" y3="-4.83816143" z3="10.7171116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.72351313" y3="-2.87163731" z3="9.92688661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.68762182" y3="-2.49751112" z3="9.87800321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.34792527" y3="-2.00071325" z3="10.18644591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12325034" y3="-3.34349238" z3="8.53088453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12415723" y3="-3.81324983" z3="8.56847049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39729539" y3="-4.0927564" z3="8.16341439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0689906" y3="-1.73733461" z3="7.14292296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19204604" y3="0.15956549" z3="5.72458908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.21907245" y3="-0.27178099" z3="6.02308779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.11859398" y3="1.25054957" z3="5.93294006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37761411" y3="0.00557089" z3="4.20310658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55732052" y3="0.53568155" z3="3.67721431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31070448" y3="0.52332232" z3="3.90645315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45840853" y3="-1.44132149" z3="3.70519044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59110578" y3="-1.43028561" z3="2.60337909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36624714" y3="-1.90600631" z3="4.13020476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25814489" y3="-2.32589404" z3="4.06173981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42784962" y3="-3.33113725" z3="3.63021606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22379397" y3="-2.46098792" z3="5.15754269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08338661" y3="-1.79135385" z3="3.5629966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34975809" y3="-0.84397942" z3="4.06386379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.89834785" y3="-2.50942998" z3="3.76642348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06566561" y3="-1.59945699" z3="2.47235649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99960919" y3="-2.33268537" z3="7.33609416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26400308" y3="-0.46297282" z3="6.57196861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30426783" y3="-0.19737594" z3="6.35424304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24288285" y3="-2.28775029" z3="7.61618698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.81699323" y3="0.609459" z3="10.86811195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.97116526" y3="0.94759056" z3="11.90994125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59123848" y3="1.08788935" z3="10.23999302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.99629022" y3="-0.48071644" z3="10.83466852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58626518" y3="0.93991577" z3="10.3654538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.34386334" y3="0.46367528" z3="11.01178956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75991621" y3="2.03160029" z3="10.44069326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83742001" y3="0.46858829" z3="8.93182771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60329147" y3="-0.60909894" z3="8.85386813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15804632" y3="0.98764665" z3="8.23060024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29208643" y3="0.70951095" z3="8.51977316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.22062097" y3="0.35884269" z3="9.24772938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42403081" y3="1.58714921" z3="7.83175473">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8316,-3.9796,10.9705;-3.8675,-4.3614,11.0514;-2.531,-3.6191,11.9703;-2.1812,-4.8382,10.7171;-2.7235,-2.8716,9.9269;-1.6876,-2.4975,9.878;-3.3479,-2.0007,10.1864;-3.1233,-3.3435,8.5309;-4.1242,-3.8132,8.5685;-2.3973,-4.0928,8.1634;-2.069,-1.7373,7.1429;-1.192,.1596,5.7246;-.2191,-.2718,6.0231;-1.1186,1.2505,5.9329;-1.3776,.0056,4.2031;-.5573,.5357,3.6772;-2.3107,.5233,3.9065;-1.4584,-1.4413,3.7052;-1.5911,-1.4303,2.6034;-2.3662,-1.906,4.1302;-.2581,-2.3259,4.0617;-.4278,-3.3311,3.6302;-.2238,-2.461,5.1575;1.0834,-1.7914,3.563;1.3498,-.844,4.0639;1.8983,-2.5094,3.7664;1.0657,-1.5995,2.4724;-.9996,-2.3327,7.3361;-2.264,-.463,6.572;-3.3043,-.1974,6.3542;-3.2429,-2.2878,7.6162;.817,.6095,10.8681;.9712,.9476,11.9099;1.5912,1.0879,10.24;.9963,-.4807,10.8347;-.5863,.9399,10.3655;-1.3439,.4637,11.0118;-.7599,2.0316,10.4407;-.8374,.4686,8.9318;-.6033,-.6091,8.8539;-.158,.9876,8.2306;-2.2921,.7095,8.5198;-3.2206,.3588,9.2477;-2.424,1.5871,7.8318;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605814003743</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000330929072 0.000068071640 0.011624039439 0.003811861056</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036607859 0.000112505 0.000159210 0.000317166 0.000737172 0.000863746 0.001495839 0.001709460 0.002207674 0.003029708 0.003532556 0.004520645 0.005229266 0.006266479 0.006323798 0.007715634 0.009454014 0.009863804 0.011909816 0.014051986 0.015038749 0.015427131 0.019804689 0.021793977 0.024670858 0.027706103 0.028815028 0.031259723 0.032175150 0.036725282 0.038642836 0.039933548 0.041080271 0.042546834 0.046306432 0.049771576 0.051265045 0.051362700 0.052366624 0.052863543 0.055038847 0.056095992 0.057626445 0.059042523 0.064770982 0.067001173 0.073741218 0.075324420 0.077384899 0.078336884 0.079298127 0.081368006 0.083031944 0.087586755 0.088922993 0.091367837 0.102705197 0.107827223 0.108414599 0.112483150 0.113977120 0.114926383 0.127867169 0.133694354 0.135530726 0.138880940 0.145859770 0.151955824 0.158088474 0.161867873 0.170784766 0.174293299 0.177033817 0.178016417 0.190438194 0.198541756 0.205362582 0.213007524 0.214650071 0.223142378 0.230175718 0.241510022 0.252741992 0.276039643 0.299200358 0.304021077 0.320189558 0.357243947 0.377726568 0.417236697 0.465867872 0.490130715 0.543355984 0.549478965 0.612079022 0.613972015 0.661715197 0.717028745 0.734965136 0.741837072 0.754649391 0.765010091 0.778582973 0.780786858 0.785677637 0.787039447 0.795392446 0.818593273 0.819470755 0.842474982 0.848721645 0.856491526 0.859480249 0.880780340 0.894518712 0.917771637 0.921135159 0.921439436 0.930206662 0.975073055 0.988006353 1.023888123 1.030196755 1.089986248 1.440926345 1.530647793</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">102</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83088972" y3="-3.97977269" z3="10.96940022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86473268" y3="-4.36685881" z3="11.04943135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53240894" y3="-3.61960402" z3="11.97010579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17634755" y3="-4.83493086" z3="10.71443027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.72777921" y3="-2.8696024" z3="9.92786696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.69335059" y3="-2.49092194" z3="9.87933792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.35569784" y3="-2.00209357" z3="10.18929349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12568108" y3="-3.34066348" z3="8.53106566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12575053" y3="-3.81198195" z3="8.56692055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39817293" y3="-4.08812486" z3="8.16339902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0722199" y3="-1.7343531" z3="7.14315422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19504987" y3="0.16159435" z3="5.72365493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22159166" y3="-0.26782254" z3="6.02346573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1228943" y3="1.25319389" z3="5.92893299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38028699" y3="0.0029742" z3="4.20260244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56111121" y3="0.53365506" z3="3.67538061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31462916" y3="0.51774477" z3="3.9044429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45751626" y3="-1.44541655" z3="3.70836862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59048952" y3="-1.43733742" z3="2.60652575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36421623" y3="-1.91145394" z3="4.13457001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25487128" y3="-2.32611282" z3="4.06685298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.42199238" y3="-3.3326153" z3="3.63726044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22051313" y3="-2.45901766" z3="5.16293724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08545825" y3="-1.78904578" z3="3.56735016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34943767" y3="-0.83998778" z3="4.06632314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.9022373" y3="-2.50450223" z3="3.77238369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.06738101" y3="-1.59937779" z3="2.47638509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00297076" y3="-2.33016961" z3="7.3353572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26655551" y3="-0.45927205" z3="6.57301569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30681234" y3="-0.19350876" z3="6.3553152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24594502" y3="-2.28396624" z3="7.61743276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.8196046" y3="0.60464137" z3="10.86426607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.97241226" y3="0.93625086" z3="11.90852289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59324334" y3="1.08958733" z3="10.23968741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.0022377" y3="-0.48446016" z3="10.82399637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.58453313" y3="0.93430956" z3="10.36388051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.34063682" y3="0.45205124" z3="11.00752681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.76110266" y3="2.02505455" z3="10.44624685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83512315" y3="0.47093588" z3="8.9275641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59814101" y3="-0.60581417" z3="8.84336829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15764235" y3="0.99579228" z3="8.22885976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29079687" y3="0.7107276" z3="8.51728864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21817312" y3="0.35966841" z3="9.24705274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42374819" y3="1.58999443" z3="7.83114937">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8309,-3.9798,10.9694;-3.8647,-4.3669,11.0494;-2.5324,-3.6196,11.9701;-2.1763,-4.8349,10.7144;-2.7278,-2.8696,9.9279;-1.6934,-2.4909,9.8793;-3.3557,-2.0021,10.1893;-3.1257,-3.3407,8.5311;-4.1258,-3.812,8.5669;-2.3982,-4.0881,8.1634;-2.0722,-1.7344,7.1432;-1.195,.1616,5.7237;-.2216,-.2678,6.0235;-1.1229,1.2532,5.9289;-1.3803,.003,4.2026;-.5611,.5337,3.6754;-2.3146,.5177,3.9044;-1.4575,-1.4454,3.7084;-1.5905,-1.4373,2.6065;-2.3642,-1.9115,4.1346;-.2549,-2.3261,4.0669;-.422,-3.3326,3.6373;-.2205,-2.459,5.1629;1.0855,-1.789,3.5674;1.3494,-.84,4.0663;1.9022,-2.5045,3.7724;1.0674,-1.5994,2.4764;-1.003,-2.3302,7.3354;-2.2666,-.4593,6.573;-3.3068,-.1935,6.3553;-3.2459,-2.284,7.6174;.8196,.6046,10.8643;.9724,.9363,11.9085;1.5932,1.0896,10.2397;1.0022,-.4845,10.824;-.5845,.9343,10.3639;-1.3406,.4521,11.0075;-.7611,2.0251,10.4462;-.8351,.4709,8.9276;-.5981,-.6058,8.8434;-.1576,.9958,8.2289;-2.2908,.7107,8.5173;-3.2182,.3597,9.2471;-2.4237,1.59,7.8311;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605814679762</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000404696069 0.000087340252 0.014381410553 0.003849610459</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036612836 0.000090375 0.000132554 0.000430653 0.000737133 0.000858954 0.001496893 0.001708579 0.002212286 0.003028383 0.003534782 0.004520448 0.005229878 0.006268825 0.006324012 0.007713118 0.009456691 0.009863770 0.011910109 0.014055911 0.015055939 0.015428589 0.019805296 0.021796892 0.024670905 0.027706179 0.028815070 0.031260566 0.032175109 0.036728831 0.038642175 0.039933665 0.041080379 0.042548076 0.046306497 0.049771756 0.051265716 0.051363020 0.052367083 0.052863751 0.055027881 0.056096202 0.057626392 0.059043403 0.064770868 0.067001526 0.073742324 0.075325134 0.077385288 0.078339832 0.079300451 0.081371392 0.083030429 0.087586736 0.088923080 0.091368928 0.102705318 0.107830558 0.108414546 0.112485161 0.113977202 0.114926451 0.127864814 0.133696845 0.135535365 0.138881292 0.145867897 0.151957851 0.158089797 0.161867825 0.170785371 0.174294857 0.177035698 0.178016528 0.190452012 0.198541694 0.205362161 0.213008460 0.214651513 0.223143937 0.230177256 0.241518994 0.252743532 0.276042015 0.299215076 0.304022510 0.320196333 0.357245711 0.377726270 0.417236864 0.465870831 0.490131614 0.543361122 0.549481626 0.612079442 0.613976987 0.661715539 0.717029592 0.734966039 0.741841318 0.754649487 0.765010113 0.778583380 0.780793210 0.785686809 0.787057199 0.795394132 0.818593665 0.819477330 0.842493675 0.848728447 0.856546027 0.859480189 0.880780476 0.894518575 0.917771681 0.921135290 0.921440266 0.930213779 0.975072954 0.988015641 1.023891696 1.030196395 1.089986192 1.440930513 1.530651714</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">103</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83532789" y3="-3.98202081" z3="10.96816928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86717843" y3="-4.3760033" z3="11.04402086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.54260828" y3="-3.62179775" z3="11.97046135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17422543" y3="-4.83223744" z3="10.71388469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.73644037" y3="-2.86915629" z3="9.92884763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.70447008" y3="-2.48376955" z3="9.88354268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.37007925" y3="-2.00548621" z3="10.19032952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12805604" y3="-3.34069887" z3="8.53055223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12690714" y3="-3.81533133" z3="8.56270384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39680253" y3="-4.08562586" z3="8.16495665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07403256" y3="-1.73364536" z3="7.14425186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19763655" y3="0.16227447" z3="5.72401994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.223548" y3="-0.26534608" z3="6.02422403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12693937" y3="1.25425974" z3="5.9275214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38306301" y3="0.00062648" z3="4.20331795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56581115" y3="0.53281524" z3="3.67473766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31907545" y3="0.5121089" z3="3.90487193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45612677" y3="-1.44881581" z3="3.7115303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59020683" y3="-1.44300969" z3="2.60986273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36081644" y3="-1.91707146" z3="4.13939077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25033642" y3="-2.32506122" z3="4.07019298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41416994" y3="-3.33259341" z3="3.64173144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21517087" y3="-2.45675206" z3="5.16634696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08785004" y3="-1.78399389" z3="3.56947096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34911535" y3="-0.83386349" z3="4.06781214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90704076" y3="-2.49684663" z3="3.77423238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.0684821" y3="-1.59488162" z3="2.47842065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00487558" y3="-2.32929852" z3="7.33694794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26832581" y3="-0.4582456" z3="6.57467888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30867088" y3="-0.19264978" z3="6.35717228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24785208" y3="-2.28366893" z3="7.61729993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.82579442" y3="0.60387524" z3="10.85844986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.98222729" y3="0.93518775" z3="11.90203535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.59706234" y3="1.08829661" z3="10.23150435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.00752183" y3="-0.48564703" z3="10.81690391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57954083" y3="0.93450781" z3="10.36166074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.33443428" y3="0.45286734" z3="11.00694494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75538295" y3="2.02524977" z3="10.44383921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83323417" y3="0.47088628" z3="8.92615794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59684214" y3="-0.60583887" z3="8.84213343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15647007" y3="0.99529581" z3="8.22638766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2895874" y3="0.71066291" z3="8.51810084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.2154181" y3="0.35933904" z3="9.24965255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42379283" y3="1.59049078" z3="7.83309825">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8353,-3.982,10.9682;-3.8672,-4.376,11.044;-2.5426,-3.6218,11.9705;-2.1742,-4.8322,10.7139;-2.7364,-2.8692,9.9288;-1.7045,-2.4838,9.8835;-3.3701,-2.0055,10.1903;-3.1281,-3.3407,8.5306;-4.1269,-3.8153,8.5627;-2.3968,-4.0856,8.165;-2.074,-1.7336,7.1443;-1.1976,.1623,5.724;-.2235,-.2653,6.0242;-1.1269,1.2543,5.9275;-1.3831,.0006,4.2033;-.5658,.5328,3.6747;-2.3191,.5121,3.9049;-1.4561,-1.4488,3.7115;-1.5902,-1.443,2.6099;-2.3608,-1.9171,4.1394;-.2503,-2.3251,4.0702;-.4142,-3.3326,3.6417;-.2152,-2.4568,5.1663;1.0879,-1.784,3.5695;1.3491,-.8339,4.0678;1.907,-2.4968,3.7742;1.0685,-1.5949,2.4784;-1.0049,-2.3293,7.3369;-2.2683,-.4582,6.5747;-3.3087,-.1926,6.3572;-3.2479,-2.2837,7.6173;.8258,.6039,10.8584;.9822,.9352,11.902;1.5971,1.0883,10.2315;1.0075,-.4856,10.8169;-.5795,.9345,10.3617;-1.3344,.4529,11.0069;-.7554,2.0252,10.4438;-.8332,.4709,8.9262;-.5968,-.6058,8.8421;-.1565,.9953,8.2264;-2.2896,.7107,8.5181;-3.2154,.3593,9.2497;-2.4238,1.5905,7.8331;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605815191331</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000466366147 0.000092811327 0.010244916384 0.002781822538</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036611082 0.000061288 0.000126810 0.000431186 0.000738507 0.000861068 0.001500823 0.001714563 0.002209549 0.003028948 0.003536622 0.004520520 0.005229082 0.006269024 0.006329294 0.007715378 0.009461161 0.009863764 0.011909751 0.014052683 0.015053361 0.015437709 0.019806879 0.021799293 0.024670943 0.027706089 0.028815266 0.031260923 0.032175068 0.036732296 0.038640060 0.039933752 0.041080435 0.042548705 0.046306570 0.049771852 0.051266482 0.051363150 0.052367605 0.052863300 0.055024151 0.056096716 0.057626806 0.059043771 0.064771300 0.067001722 0.073743034 0.075325222 0.077386708 0.078341304 0.079302633 0.081376152 0.083032500 0.087586768 0.088923343 0.091372172 0.102705338 0.107834132 0.108414562 0.112487093 0.113977503 0.114926794 0.127865974 0.133701973 0.135542405 0.138881342 0.145878050 0.151958442 0.158089736 0.161868093 0.170785975 0.174298261 0.177036406 0.178016737 0.190455089 0.198541972 0.205364585 0.213009267 0.214653226 0.223144169 0.230175848 0.241522033 0.252750549 0.276045211 0.299252430 0.304025922 0.320205597 0.357250276 0.377727611 0.417237427 0.465876912 0.490132110 0.543365513 0.549481904 0.612079446 0.613977343 0.661715742 0.717031303 0.734966151 0.741843593 0.754649716 0.765010164 0.778585411 0.780796492 0.785690193 0.787070066 0.795394176 0.818593878 0.819482092 0.842493975 0.848728710 0.856574709 0.859480429 0.880781052 0.894518771 0.917771845 0.921135699 0.921440464 0.930221498 0.975073496 0.988018026 1.023891982 1.030213952 1.089990778 1.440931845 1.530653636</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">104</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83842513" y3="-3.98212023" z3="10.9688359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86835616" y3="-4.38092803" z3="11.043003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.54895822" y3="-3.62102459" z3="11.9719305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17309323" y3="-4.82922405" z3="10.71482722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74287842" y3="-2.86840209" z3="9.93035958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71241421" y3="-2.47854874" z3="9.88657345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.38032417" y3="-2.00788305" z3="10.19183093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13041992" y3="-3.34051853" z3="8.53106571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12808876" y3="-3.81745773" z3="8.56055776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39650642" y3="-4.08338374" z3="8.16692091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07625022" y3="-1.73388078" z3="7.14428426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19991667" y3="0.16202825" z3="5.72366404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22545839" y3="-0.26463565" z3="6.02402705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12991531" y3="1.25421102" z3="5.92623521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38562222" y3="-0.00110425" z3="4.20321607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56995349" y3="0.53281723" z3="3.67393172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3230802" y3="0.50774934" z3="3.90489709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45510637" y3="-1.45105877" z3="3.71246018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58926872" y3="-1.4463234" z3="2.61074743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35865281" y3="-1.92136382" z3="4.14068669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24693738" y3="-2.32389914" z3="4.07175579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40785688" y3="-3.33196564" z3="3.64348166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21195379" y3="-2.45525466" z3="5.16801253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08998897" y3="-1.77923251" z3="3.57130641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34830183" y3="-0.82808607" z3="4.06925527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91123842" y3="-2.48957081" z3="3.77676673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07051663" y3="-1.59071563" z3="2.48008682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00728233" y3="-2.33012359" z3="7.33631549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27010121" y3="-0.45824631" z3="6.57509059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3104871" y3="-0.19200263" z3="6.3585454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25031408" y3="-2.28332999" z3="7.61798897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83015091" y3="0.60300007" z3="10.85518048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.9865988" y3="0.93426246" z3="11.89895633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60133486" y3="1.0885079" z3="10.22803025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.01315345" y3="-0.48592109" z3="10.8137777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57586827" y3="0.93235701" z3="10.35985517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32982828" y3="0.44934088" z3="11.00550327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75256181" y3="2.02293806" z3="10.44354699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83093006" y3="0.46988187" z3="8.92409606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59459602" y3="-0.60692317" z3="8.83870345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15521039" y3="0.99498938" z3="8.22387574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28780553" y3="0.71031462" z3="8.51807808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21303692" y3="0.35961283" z3="9.25085396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42218656" y3="1.59050511" z3="7.83325499">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8384,-3.9821,10.9688;-3.8684,-4.3809,11.043;-2.549,-3.621,11.9719;-2.1731,-4.8292,10.7148;-2.7429,-2.8684,9.9304;-1.7124,-2.4785,9.8866;-3.3803,-2.0079,10.1918;-3.1304,-3.3405,8.5311;-4.1281,-3.8175,8.5606;-2.3965,-4.0834,8.1669;-2.0763,-1.7339,7.1443;-1.1999,.162,5.7237;-.2255,-.2646,6.024;-1.1299,1.2542,5.9262;-1.3856,-.0011,4.2032;-.57,.5328,3.6739;-2.3231,.5077,3.9049;-1.4551,-1.4511,3.7125;-1.5893,-1.4463,2.6107;-2.3587,-1.9214,4.1407;-.2469,-2.3239,4.0718;-.4079,-3.332,3.6435;-.212,-2.4553,5.168;1.09,-1.7792,3.5713;1.3483,-.8281,4.0693;1.9112,-2.4896,3.7768;1.0705,-1.5907,2.4801;-1.0073,-2.3301,7.3363;-2.2701,-.4582,6.5751;-3.3105,-.192,6.3585;-3.2503,-2.2833,7.618;.8302,.603,10.8552;.9866,.9343,11.899;1.6013,1.0885,10.228;1.0132,-.4859,10.8138;-.5759,.9324,10.3599;-1.3298,.4493,11.0055;-.7526,2.0229,10.4435;-.8309,.4699,8.9241;-.5946,-.6069,8.8387;-.1552,.995,8.2239;-2.2878,.7103,8.5181;-3.213,.3596,9.2509;-2.4222,1.5905,7.8333;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605815506913</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000417856301 0.000086147187 0.012841748921 0.003999438472</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036612164 -0.000012850 0.000131870 0.000425545 0.000738695 0.000870257 0.001509818 0.001718915 0.002238454 0.003027848 0.003537173 0.004528146 0.005234655 0.006271288 0.006329160 0.007705876 0.009473452 0.009863853 0.011910436 0.014051784 0.015072286 0.015438077 0.019806661 0.021807320 0.024670902 0.027706005 0.028815795 0.031261293 0.032175136 0.036735247 0.038636931 0.039935561 0.041080497 0.042552212 0.046307008 0.049772193 0.051267967 0.051363298 0.052367905 0.052862818 0.055008947 0.056097608 0.057627479 0.059044189 0.064771486 0.067001573 0.073744636 0.075325488 0.077387700 0.078343369 0.079306721 0.081383849 0.083033860 0.087587418 0.088923587 0.091375918 0.102705448 0.107841433 0.108414630 0.112491307 0.113978083 0.114926706 0.127863304 0.133708005 0.135546557 0.138881540 0.145897743 0.151962679 0.158089687 0.161868323 0.170786611 0.174300268 0.177038350 0.178017902 0.190470092 0.198547275 0.205364180 0.213010584 0.214654682 0.223146444 0.230180732 0.241526758 0.252754934 0.276047211 0.299264151 0.304027866 0.320211034 0.357252358 0.377727955 0.417238537 0.465877527 0.490133521 0.543365784 0.549487427 0.612079484 0.613982235 0.661718610 0.717032459 0.734966242 0.741848494 0.754649896 0.765010307 0.778585935 0.780807773 0.785701102 0.787083685 0.795394210 0.818593833 0.819492699 0.842519862 0.848731043 0.856630554 0.859480935 0.880781038 0.894518900 0.917772296 0.921139457 0.921440576 0.930222341 0.975073451 0.988027706 1.023894285 1.030215491 1.089993278 1.440933817 1.530656738</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">105</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8445897" y3="-3.98479071" z3="10.96817313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87305169" y3="-4.38850812" z3="11.03807416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.56043835" y3="-3.62394979" z3="11.97264977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17431522" y3="-4.82819616" z3="10.71547108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.75124625" y3="-2.86890072" z3="9.93157081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.72267452" y3="-2.47402237" z3="9.89127586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.39316592" y3="-2.01133528" z3="10.19249246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13265449" y3="-3.34124941" z3="8.53080638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12916045" y3="-3.821383" z3="8.5565329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39506716" y3="-4.0815929" z3="8.16869446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07821168" y3="-1.73360114" z3="7.14568685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20249065" y3="0.16234829" z3="5.72464757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22758117" y3="-0.26294195" z3="6.02556652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13366961" y3="1.25485784" z3="5.92574679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38779232" y3="-0.00316057" z3="4.20436637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57339824" y3="0.53212696" z3="3.67435787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32656921" y3="0.50301141" z3="3.90531367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45337266" y3="-1.45390961" z3="3.71540009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58825646" y3="-1.45083313" z3="2.61384647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35516757" y3="-1.92643279" z3="4.14470598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24243062" y3="-2.32276421" z3="4.07472178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40010862" y3="-3.3313771" z3="3.64652408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20710425" y3="-2.45391659" z3="5.17090831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09263351" y3="-1.77374536" z3="3.57422912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.34887369" y3="-0.82262932" z3="4.07326954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91582172" y3="-2.48208523" z3="3.77799383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07180481" y3="-1.58368864" z3="2.4834934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00923528" y3="-2.32950545" z3="7.33808899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27215191" y3="-0.45760263" z3="6.57710199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31260962" y3="-0.19159174" z3="6.36052373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25221629" y3="-2.28360581" z3="7.61824648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83733644" y3="0.60365605" z3="10.84743535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99850278" y3="0.93483736" z3="11.89036015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60493696" y3="1.08917429" z3="10.21690262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.02010498" y3="-0.48580164" z3="10.8044454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57063506" y3="0.93300926" z3="10.35713123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32211022" y3="0.45011046" z3="11.00534039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74741703" y3="2.02351486" z3="10.44066115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8295545" y3="0.46987292" z3="8.92246692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.5935414" y3="-0.60690424" z3="8.83731138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15508784" y3="0.99454554" z3="8.2206621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28726743" y3="0.70967314" z3="8.51923942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21046744" y3="0.35825362" z3="9.25414777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42356587" y3="1.59042095" z3="7.83578853">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8446,-3.9848,10.9682;-3.8731,-4.3885,11.0381;-2.5604,-3.6239,11.9726;-2.1743,-4.8282,10.7155;-2.7512,-2.8689,9.9316;-1.7227,-2.474,9.8913;-3.3932,-2.0113,10.1925;-3.1327,-3.3412,8.5308;-4.1292,-3.8214,8.5565;-2.3951,-4.0816,8.1687;-2.0782,-1.7336,7.1457;-1.2025,.1623,5.7246;-.2276,-.2629,6.0256;-1.1337,1.2549,5.9257;-1.3878,-.0032,4.2044;-.5734,.5321,3.6744;-2.3266,.503,3.9053;-1.4534,-1.4539,3.7154;-1.5883,-1.4508,2.6138;-2.3552,-1.9264,4.1447;-.2424,-2.3228,4.0747;-.4001,-3.3314,3.6465;-.2071,-2.4539,5.1709;1.0926,-1.7737,3.5742;1.3489,-.8226,4.0733;1.9158,-2.4821,3.778;1.0718,-1.5837,2.4835;-1.0092,-2.3295,7.3381;-2.2722,-.4576,6.5771;-3.3126,-.1916,6.3605;-3.2522,-2.2836,7.6182;.8373,.6037,10.8474;.9985,.9348,11.8904;1.6049,1.0892,10.2169;1.0201,-.4858,10.8044;-.5706,.933,10.3571;-1.3221,.4501,11.0053;-.7474,2.0235,10.4407;-.8296,.4699,8.9225;-.5935,-.6069,8.8373;-.1551,.9945,8.2207;-2.2873,.7097,8.5192;-3.2105,.3583,9.2541;-2.4236,1.5904,7.8358;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605815093377</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000638633663 0.000107980691 0.005982219409 0.001903867275</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036611941 0.000027933 0.000147480 0.000424667 0.000739040 0.000875308 0.001513588 0.001731935 0.002255088 0.003027789 0.003537132 0.004531159 0.005236757 0.006270914 0.006336373 0.007705170 0.009479708 0.009866351 0.011910282 0.014050813 0.015070335 0.015448848 0.019808077 0.021810195 0.024670961 0.027706020 0.028815968 0.031261390 0.032175463 0.036738709 0.038636918 0.039935924 0.041080559 0.042553815 0.046307441 0.049772238 0.051268859 0.051363260 0.052368276 0.052862838 0.055010740 0.056098254 0.057627618 0.059044544 0.064772485 0.067003542 0.073745044 0.075326521 0.077388684 0.078343834 0.079309781 0.081388750 0.083035962 0.087588553 0.088924442 0.091378932 0.102705507 0.107847696 0.108414886 0.112494725 0.113978851 0.114926897 0.127864119 0.133717591 0.135551874 0.138882496 0.145916975 0.151965018 0.158091078 0.161868606 0.170787068 0.174305770 0.177039096 0.178020381 0.190472844 0.198550764 0.205364556 0.213012508 0.214656104 0.223148956 0.230180709 0.241529954 0.252760519 0.276052244 0.299292649 0.304030805 0.320216642 0.357264613 0.377729177 0.417239348 0.465881544 0.490133705 0.543367864 0.549489642 0.612082244 0.613983182 0.661720195 0.717036046 0.734966539 0.741853125 0.754650104 0.765010501 0.778588308 0.780811155 0.785704241 0.787107546 0.795396627 0.818593878 0.819502097 0.842522168 0.848731034 0.856705825 0.859480939 0.880781203 0.894519439 0.917773589 0.921144541 0.921441218 0.930227575 0.975074803 0.988030897 1.023894525 1.030236467 1.089997863 1.440938295 1.530665231</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">106</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84308749" y3="-3.98475728" z3="10.96810647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87247472" y3="-4.38550015" z3="11.03971754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55649848" y3="-3.62398842" z3="11.97207501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17561264" y3="-4.83029666" z3="10.71490961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7476844" y3="-2.86996208" z3="9.930694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.7180232" y3="-2.47800171" z3="9.88924182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.3871837" y3="-2.0107742" z3="10.19170447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13158011" y3="-3.34180238" z3="8.53035877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12852248" y3="-3.82057811" z3="8.55744579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39552033" y3="-4.08310289" z3="8.16727731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07705902" y3="-1.73416847" z3="7.14500988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20107795" y3="0.16204193" z3="5.72451471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22641931" y3="-0.26405552" z3="6.02501733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13163215" y3="1.25431488" z3="5.92675369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.3865616" y3="-0.00173044" z3="4.20411028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57147148" y3="0.53290991" z3="3.67466044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32457227" y3="0.50599872" z3="3.90562215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45434414" y3="-1.45190516" z3="3.71381561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58854655" y3="-1.44767811" z3="2.61213687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35726056" y3="-1.92316007" z3="4.14222681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24514907" y3="-2.32318014" z3="4.07328731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40461918" y3="-3.33139958" z3="3.64485533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21030962" y3="-2.45461642" z3="5.16951578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09115734" y3="-1.7767084" z3="3.57326667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3483234" y3="-0.82552819" z3="4.07172345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91317346" y3="-2.48619886" z3="3.77844872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07159865" y3="-1.58765091" z3="2.48216933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00806065" y3="-2.33020926" z3="7.3373559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27101783" y3="-0.45843731" z3="6.57610221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31144854" y3="-0.19220737" z3="6.35972927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25120219" y3="-2.28413208" z3="7.6178381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83509879" y3="0.60581136" z3="10.85059877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99427826" y3="0.93846329" z3="11.89345031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60405866" y3="1.09087528" z3="10.22072859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.01848494" y3="-0.48323011" z3="10.80982386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57229546" y3="0.93395902" z3="10.35822839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32453164" y3="0.4514533" z3="11.00614307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74933915" y3="2.02452975" z3="10.440737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83004464" y3="0.46955258" z3="8.92365131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59426095" y3="-0.60741318" z3="8.83937015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15519356" y3="0.99353698" z3="8.22175452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28742358" y3="0.70974794" z3="8.51957928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21153234" y3="0.35855015" z3="9.2534493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42297427" y3="1.59001567" z3="7.83516767">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8431,-3.9848,10.9681;-3.8725,-4.3855,11.0397;-2.5565,-3.624,11.9721;-2.1756,-4.8303,10.7149;-2.7477,-2.87,9.9307;-1.718,-2.478,9.8892;-3.3872,-2.0108,10.1917;-3.1316,-3.3418,8.5304;-4.1285,-3.8206,8.5574;-2.3955,-4.0831,8.1673;-2.0771,-1.7342,7.145;-1.2011,.162,5.7245;-.2264,-.2641,6.025;-1.1316,1.2543,5.9268;-1.3866,-.0017,4.2041;-.5715,.5329,3.6747;-2.3246,.506,3.9056;-1.4543,-1.4519,3.7138;-1.5885,-1.4477,2.6121;-2.3573,-1.9232,4.1422;-.2451,-2.3232,4.0733;-.4046,-3.3314,3.6449;-.2103,-2.4546,5.1695;1.0912,-1.7767,3.5733;1.3483,-.8255,4.0717;1.9132,-2.4862,3.7784;1.0716,-1.5877,2.4822;-1.0081,-2.3302,7.3374;-2.271,-.4584,6.5761;-3.3114,-.1922,6.3597;-3.2512,-2.2841,7.6178;.8351,.6058,10.8506;.9943,.9385,11.8935;1.6041,1.0909,10.2207;1.0185,-.4832,10.8098;-.5723,.934,10.3582;-1.3245,.4515,11.0061;-.7493,2.0245,10.4407;-.83,.4696,8.9237;-.5943,-.6074,8.8394;-.1552,.9935,8.2218;-2.2874,.7097,8.5196;-3.2115,.3586,9.2534;-2.423,1.59,7.8352;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605816349786</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000188013654 0.000047986734 0.009504041931 0.002743309213</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002393443189 0.001595628793</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036613303 -0.000099893 0.000124345 0.000420904 0.000739496 0.000844084 0.001514959 0.001669387 0.002337808 0.003016838 0.003533426 0.004542008 0.005251953 0.006245469 0.006300158 0.007591948 0.009502676 0.009860966 0.011911848 0.013997816 0.015002218 0.015415575 0.019792992 0.021826689 0.024670000 0.027703802 0.028817307 0.031261554 0.032174803 0.036726393 0.038581815 0.039938258 0.041080288 0.042561305 0.046309238 0.049772261 0.051270297 0.051363429 0.052367570 0.052851304 0.054802522 0.056098027 0.057628368 0.059043385 0.064769544 0.067001184 0.073746163 0.075328122 0.077388936 0.078344676 0.079314584 0.081398982 0.083035332 0.087590308 0.088924548 0.091375494 0.102705632 0.107857092 0.108414767 0.112500514 0.113979082 0.114925378 0.127812854 0.133714137 0.135548503 0.138884152 0.145933940 0.151971860 0.158089876 0.161868502 0.170786890 0.174300233 0.177039109 0.178023434 0.190462029 0.198557226 0.205358587 0.213013474 0.214654228 0.223150198 0.230142540 0.241532599 0.252758495 0.276047872 0.299104014 0.304022507 0.320197568 0.357250277 0.377722182 0.417237188 0.465869885 0.490115080 0.543361387 0.549480568 0.612081721 0.613973023 0.661714306 0.717031025 0.734966140 0.741854486 0.754649477 0.765010511 0.778583164 0.780790128 0.785686515 0.787109897 0.795396994 0.818593510 0.819503574 0.842441463 0.848725789 0.856723567 0.859477061 0.880779902 0.894519456 0.917773018 0.921142610 0.921441130 0.930204044 0.975070281 0.988018815 1.023890451 1.030138375 1.089911727 1.440937797 1.530664224</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">107</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84117757" y3="-3.98490338" z3="10.968072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87241061" y3="-4.38052004" z3="11.04158341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55119312" y3="-3.62494942" z3="11.9712154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.17826389" y3="-4.83387924" z3="10.7145548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74214992" y3="-2.87119933" z3="9.92974406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71077621" y3="-2.48398394" z3="9.88670121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.37767965" y3="-2.00896955" z3="10.19068475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12988749" y3="-3.34240863" z3="8.53026005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12790907" y3="-3.81895757" z3="8.55958064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39629605" y3="-4.08556422" z3="8.16584073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07527395" y3="-1.73478608" z3="7.14490056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19869093" y3="0.16141796" z3="5.72498337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22459093" y3="-0.26623998" z3="6.02517378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12803357" y3="1.25336892" z3="5.92873004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38382812" y3="0.0001965" z3="4.20420466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56694231" y3="0.53340906" z3="3.67595533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32033513" y3="0.51089747" z3="3.90574986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45524764" y3="-1.44912253" z3="3.71185052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58884416" y3="-1.44298365" z3="2.61012288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35965636" y3="-1.91852753" z3="4.13911365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2486319" y3="-2.32417772" z3="4.07067519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41093171" y3="-3.33150688" z3="3.64118323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21413693" y3="-2.4567879" z3="5.16673636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08924557" y3="-1.78092384" z3="3.57140062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3492474" y3="-0.83112108" z3="4.07099574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90912211" y3="-2.49296325" z3="3.77562186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07011915" y3="-1.590448" z3="2.48069167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0062259" y3="-2.33065649" z3="7.33758552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26936431" y3="-0.45934401" z3="6.57546887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3097017" y3="-0.1932569" z3="6.35849024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24935728" y3="-2.28478355" z3="7.61768848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83176209" y3="0.6088305" z3="10.85368705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99031297" y3="0.9425435" z3="11.8962573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.6006004" y3="1.09350437" z3="10.22373419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.01541083" y3="-0.48044501" z3="10.81377794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57543628" y3="0.93605848" z3="10.35994241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.32778125" y3="0.45412323" z3="11.00799242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75294865" y3="2.02667631" z3="10.44091994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83185732" y3="0.46981418" z3="8.92570611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59607864" y3="-0.60722341" z3="8.84299198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.1562594" y3="0.99284039" z3="8.22379904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28874913" y3="0.70944419" z3="8.52004742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21339633" y3="0.3577155" z3="9.25276535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4241389" y3="1.58917991" z3="7.83519224">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8412,-3.9849,10.9681;-3.8724,-4.3805,11.0416;-2.5512,-3.6249,11.9712;-2.1783,-4.8339,10.7146;-2.7421,-2.8712,9.9297;-1.7108,-2.484,9.8867;-3.3777,-2.009,10.1907;-3.1299,-3.3424,8.5303;-4.1279,-3.819,8.5596;-2.3963,-4.0856,8.1658;-2.0753,-1.7348,7.1449;-1.1987,.1614,5.725;-.2246,-.2662,6.0252;-1.128,1.2534,5.9287;-1.3838,.0002,4.2042;-.5669,.5334,3.676;-2.3203,.5109,3.9057;-1.4552,-1.4491,3.7119;-1.5888,-1.443,2.6101;-2.3597,-1.9185,4.1391;-.2486,-2.3242,4.0707;-.4109,-3.3315,3.6412;-.2141,-2.4568,5.1667;1.0892,-1.7809,3.5714;1.3492,-.8311,4.071;1.9091,-2.493,3.7756;1.0701,-1.5904,2.4807;-1.0062,-2.3307,7.3376;-2.2694,-.4593,6.5755;-3.3097,-.1933,6.3585;-3.2494,-2.2848,7.6177;.8318,.6088,10.8537;.9903,.9425,11.8963;1.6006,1.0935,10.2237;1.0154,-.4804,10.8138;-.5754,.9361,10.3599;-1.3278,.4541,11.008;-.7529,2.0267,10.4409;-.8319,.4698,8.9257;-.5961,-.6072,8.843;-.1563,.9928,8.2238;-2.2887,.7094,8.52;-3.2134,.3577,9.2528;-2.4241,1.5892,7.8352;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605817222400</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000357702557 0.000068441630 0.016200911483 0.003955566103</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036578116 -0.000013911 0.000173371 0.000398731 0.000738987 0.000828432 0.001511425 0.001615609 0.002271695 0.003005568 0.003529890 0.004508632 0.005210078 0.006207230 0.006313588 0.007467510 0.009515972 0.009872623 0.011904930 0.013880463 0.014767387 0.015447990 0.019793263 0.021823629 0.024662168 0.027702797 0.028814852 0.031261648 0.032176211 0.036737769 0.038522971 0.039937644 0.041079044 0.042556753 0.046309010 0.049771813 0.051271201 0.051363833 0.052363683 0.052820666 0.054594846 0.056098740 0.057628915 0.059042675 0.064768532 0.067010434 0.073746699 0.075330542 0.077389033 0.078346548 0.079316978 0.081400680 0.083034123 0.087592993 0.088924725 0.091376536 0.102705964 0.107867923 0.108415265 0.112507329 0.113980686 0.114924418 0.127745513 0.133725009 0.135545515 0.138886330 0.145963801 0.151959417 0.158092663 0.161868584 0.170786542 0.174298034 0.177034053 0.178026346 0.190406507 0.198543596 0.205352770 0.213015197 0.214644803 0.223157563 0.230049361 0.241534046 0.252762415 0.276047916 0.298869489 0.304013812 0.320177909 0.357242909 0.377708102 0.417232761 0.465862819 0.490081567 0.543354117 0.549456145 0.612081548 0.613948944 0.661704459 0.717027130 0.734966498 0.741854261 0.754648825 0.765010472 0.778578963 0.780752585 0.785652258 0.787113911 0.795398318 0.818593368 0.819499325 0.842274764 0.848711447 0.856732341 0.859471722 0.880778246 0.894519461 0.917772605 0.921138647 0.921441051 0.930186863 0.975062576 0.987998385 1.023877693 1.029999220 1.089801515 1.440937823 1.530663520</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">108</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84795385" y3="-3.98958242" z3="10.9673893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.88136748" y3="-4.37928579" z3="11.04113628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55597544" y3="-3.63083846" z3="11.97073617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.18977575" y3="-4.84228176" z3="10.71373517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74283064" y3="-2.87680661" z3="9.92887593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.70969939" y3="-2.49435501" z3="9.88700549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.37493963" y3="-2.01195832" z3="10.18908403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13056848" y3="-3.3462129" z3="8.52863848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12856294" y3="-3.82262462" z3="8.55703043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39694926" y3="-4.08911581" z3="8.16367821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07482048" y3="-1.73727312" z3="7.14510476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19762549" y3="0.1600217" z3="5.72694415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22392838" y3="-0.26881663" z3="6.02665035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12633011" y3="1.25152926" z3="5.93307792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38228126" y3="0.0022547" z3="4.20581366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56468801" y3="0.53561902" z3="3.67903895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31802781" y3="0.51457015" z3="3.90825485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45533461" y3="-1.44598115" z3="3.71058661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58756653" y3="-1.43762357" z3="2.60868156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36096436" y3="-1.91471017" z3="4.13599272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25055749" y3="-2.32360357" z3="4.06946983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41391269" y3="-3.33001748" z3="3.63820566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21754401" y3="-2.45797434" z3="5.16544346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08894738" y3="-1.78191911" z3="3.57274755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3491989" y3="-0.83279751" z3="4.07356101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90755456" y3="-2.49545267" z3="3.77820046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07232163" y3="-1.59073934" z3="2.48183661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00579717" y3="-2.33328179" z3="7.33832832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26890368" y3="-0.46231974" z3="6.57526838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30916871" y3="-0.1955861" z3="6.35882606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24943861" y3="-2.28771549" z3="7.61706608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.83690512" y3="0.62007692" z3="10.85039862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.99675506" y3="0.95874441" z3="11.89132515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.6031647" y3="1.10482622" z3="10.21655822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.02430789" y3="-0.46829801" z3="10.81518205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.57259138" y3="0.94076707" z3="10.35918439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.3220864" y3="0.45927063" z3="11.01124426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75286541" y3="2.03124709" z3="10.43633778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8318196" y3="0.46850561" z3="8.92732344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59686734" y3="-0.60909607" z3="8.84803991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15758232" y3="0.98870307" z3="8.22207964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28911403" y3="0.70783932" z3="8.52396889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21334227" y3="0.35518061" z3="9.25660284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42573601" y3="1.58649908" z3="7.83771921">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.848,-3.9896,10.9674;-3.8814,-4.3793,11.0411;-2.556,-3.6308,11.9707;-2.1898,-4.8423,10.7137;-2.7428,-2.8768,9.9289;-1.7097,-2.4944,9.887;-3.3749,-2.012,10.1891;-3.1306,-3.3462,8.5286;-4.1286,-3.8226,8.557;-2.3969,-4.0891,8.1637;-2.0748,-1.7373,7.1451;-1.1976,.16,5.7269;-.2239,-.2688,6.0267;-1.1263,1.2515,5.9331;-1.3823,.0023,4.2058;-.5647,.5356,3.679;-2.318,.5146,3.9083;-1.4553,-1.446,3.7106;-1.5876,-1.4376,2.6087;-2.361,-1.9147,4.136;-.2506,-2.3236,4.0695;-.4139,-3.33,3.6382;-.2175,-2.458,5.1654;1.0889,-1.7819,3.5727;1.3492,-.8328,4.0736;1.9076,-2.4955,3.7782;1.0723,-1.5907,2.4818;-1.0058,-2.3333,7.3383;-2.2689,-.4623,6.5753;-3.3092,-.1956,6.3588;-3.2494,-2.2877,7.6171;.8369,.6201,10.8504;.9968,.9587,11.8913;1.6032,1.1048,10.2166;1.0243,-.4683,10.8152;-.5726,.9408,10.3592;-1.3221,.4593,11.0112;-.7529,2.0312,10.4363;-.8318,.4685,8.9273;-.5969,-.6091,8.848;-.1576,.9887,8.2221;-2.2891,.7078,8.524;-3.2133,.3552,9.2566;-2.4257,1.5865,7.8377;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605819973816</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000511940983 0.000095678652 0.019647773713 0.005700732727</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036578071 0.000046116 0.000191582 0.000399683 0.000738710 0.000825875 0.001509389 0.001609747 0.002292483 0.003004985 0.003530790 0.004514848 0.005212583 0.006201897 0.006314727 0.007460140 0.009525667 0.009874820 0.011906386 0.013879967 0.014767478 0.015455958 0.019792228 0.021832761 0.024663147 0.027702855 0.028818156 0.031261775 0.032176503 0.036738527 0.038519180 0.039938801 0.041079107 0.042559300 0.046310224 0.049771873 0.051272866 0.051364616 0.052363462 0.052819795 0.054578818 0.056098546 0.057629492 0.059042824 0.064769610 0.067012316 0.073747196 0.075332295 0.077389032 0.078347249 0.079318712 0.081409655 0.083034966 0.087594093 0.088924940 0.091374830 0.102706158 0.107874177 0.108415766 0.112511301 0.113981606 0.114924620 0.127741984 0.133729742 0.135543947 0.138887813 0.145977883 0.151963225 0.158094264 0.161868885 0.170786546 0.174298380 0.177034203 0.178028456 0.190409484 0.198553473 0.205352881 0.213015300 0.214644777 0.223162706 0.230049385 0.241535647 0.252773409 0.276048267 0.298844004 0.304012433 0.320176774 0.357245019 0.377709714 0.417237276 0.465863004 0.490081264 0.543356480 0.549462130 0.612082939 0.613951429 0.661710434 0.717027035 0.734968610 0.741862446 0.754649252 0.765010523 0.778579156 0.780759291 0.785656123 0.787129929 0.795404381 0.818593526 0.819516491 0.842281049 0.848712477 0.856807440 0.859471984 0.880778801 0.894519811 0.917774229 0.921145497 0.921442783 0.930186339 0.975064170 0.988002794 1.023878059 1.030003968 1.089801952 1.440944075 1.530676025</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">109</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85943013" y3="-3.99723272" z3="10.96570331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.89476366" y3="-4.38200041" z3="11.03697976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.56793971" y3="-3.64137063" z3="11.96979516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.20487543" y3="-4.85270353" z3="10.71273273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74761903" y3="-2.88337218" z3="9.92867726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71311734" y3="-2.50433116" z3="9.8897443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.37753719" y3="-2.01655906" z3="10.18787628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13282839" y3="-3.35046379" z3="8.52701884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13084219" y3="-3.82760601" z3="8.55255414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.39796731" y3="-4.09234845" z3="8.16231067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07544443" y3="-1.7395464" z3="7.14683489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19734885" y3="0.15825947" z3="5.72992019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22414253" y3="-0.27178063" z3="6.029619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12534849" y3="1.2494776" z3="5.93757645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38068453" y3="0.00300309" z3="4.20830436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56188658" y3="0.53649892" z3="3.68322657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31574569" y3="0.51668596" z3="3.91025494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45417555" y3="-1.44438716" z3="3.71071356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58518451" y3="-1.43409966" z3="2.60868348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36053967" y3="-1.91328487" z3="4.1343634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25021359" y3="-2.32322326" z3="4.0692017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41341288" y3="-3.32852802" z3="3.63532152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2184416" y3="-2.46008881" z3="5.1648485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08984539" y3="-1.78053852" z3="3.57526026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35096965" y3="-0.83375642" z3="4.07999757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90771904" y3="-2.49527791" z3="3.7774724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07313497" y3="-1.58467357" z3="2.48556335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00657052" y3="-2.33550764" z3="7.3409722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26933519" y3="-0.46476807" z3="6.57681231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30946373" y3="-0.19755908" z3="6.36028839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25048463" y3="-2.2903707" z3="7.61725309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84676033" y3="0.63517533" z3="10.8420717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01152736" y3="0.97839218" z3="11.8805926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60569764" y3="1.12162435" z3="10.20154709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.03943954" y3="-0.45282835" z3="10.80872211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56725042" y3="0.94697408" z3="10.35765032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31048028" y3="0.46470556" z3="11.0160123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75240663" y3="2.03690964" z3="10.43105829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83137525" y3="0.46759054" z3="8.92900898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59741082" y3="-0.61040992" z3="8.85433495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15891986" y3="0.98411524" z3="8.21942553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28957072" y3="0.70520073" z3="8.52921689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21118711" y3="0.35010838" z3="9.26336966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42951123" y3="1.58328315" z3="7.84348185">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8594,-3.9972,10.9657;-3.8948,-4.382,11.037;-2.5679,-3.6414,11.9698;-2.2049,-4.8527,10.7127;-2.7476,-2.8834,9.9287;-1.7131,-2.5043,9.8897;-3.3775,-2.0166,10.1879;-3.1328,-3.3505,8.527;-4.1308,-3.8276,8.5526;-2.398,-4.0923,8.1623;-2.0754,-1.7395,7.1468;-1.1973,.1583,5.7299;-.2241,-.2718,6.0296;-1.1253,1.2495,5.9376;-1.3807,.003,4.2083;-.5619,.5365,3.6832;-2.3157,.5167,3.9103;-1.4542,-1.4444,3.7107;-1.5852,-1.4341,2.6087;-2.3605,-1.9133,4.1344;-.2502,-2.3232,4.0692;-.4134,-3.3285,3.6353;-.2184,-2.4601,5.1648;1.0898,-1.7805,3.5753;1.351,-.8338,4.08;1.9077,-2.4953,3.7775;1.0731,-1.5847,2.4856;-1.0066,-2.3355,7.341;-2.2693,-.4648,6.5768;-3.3095,-.1976,6.3603;-3.2505,-2.2904,7.6173;.8468,.6352,10.8421;1.0115,.9784,11.8806;1.6057,1.1216,10.2015;1.0394,-.4528,10.8087;-.5673,.947,10.3577;-1.3105,.4647,11.016;-.7524,2.0369,10.4311;-.8314,.4676,8.929;-.5974,-.6104,8.8543;-.1589,.9841,8.2194;-2.2896,.7052,8.5292;-3.2112,.3501,9.2634;-2.4295,1.5833,7.8435;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605821960230</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000488069403 0.000091587650 0.017897223721 0.004703527899</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036579062 0.000108914 0.000172526 0.000402483 0.000738726 0.000829464 0.001509564 0.001610378 0.002312486 0.003005702 0.003532304 0.004516440 0.005213569 0.006202985 0.006318205 0.007457801 0.009532838 0.009882857 0.011907194 0.013877764 0.014760862 0.015465617 0.019793637 0.021836756 0.024663466 0.027704319 0.028821614 0.031261838 0.032177440 0.036747652 0.038521687 0.039938627 0.041079083 0.042560219 0.046311273 0.049771912 0.051275176 0.051365248 0.052363194 0.052819260 0.054584261 0.056098654 0.057630000 0.059043519 0.064772340 0.067018867 0.073747435 0.075335192 0.077389209 0.078347718 0.079320220 0.081413382 0.083034884 0.087595373 0.088929103 0.091373159 0.102706435 0.107881614 0.108416143 0.112516226 0.113982866 0.114924727 0.127741769 0.133732719 0.135544243 0.138890913 0.145987474 0.151967967 0.158096457 0.161869130 0.170786774 0.174300317 0.177033502 0.178031242 0.190408767 0.198563541 0.205354316 0.213016687 0.214646159 0.223170962 0.230048748 0.241536794 0.252779026 0.276052959 0.298834588 0.304011820 0.320175544 0.357261556 0.377717154 0.417242563 0.465863381 0.490080881 0.543361643 0.549468656 0.612086336 0.613952921 0.661714904 0.717028760 0.734969628 0.741868702 0.754649512 0.765010748 0.778580529 0.780760246 0.785655907 0.787139185 0.795414778 0.818595254 0.819529163 0.842296196 0.848713078 0.856873380 0.859475917 0.880779357 0.894521217 0.917776096 0.921150109 0.921442646 0.930189722 0.975064355 0.988007508 1.023878366 1.030001301 1.089801746 1.440953677 1.530689766</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">110</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86651177" y3="-4.00428934" z3="10.96308983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.9047334" y3="-4.38143547" z3="11.03536795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.57107882" y3="-3.65106793" z3="11.96751828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.21847149" y3="-4.86439238" z3="10.70816847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74775197" y3="-2.89067637" z3="9.92688255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71108826" y3="-2.5176993" z3="9.88895902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.37300502" y3="-2.02061566" z3="10.18652258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13449221" y3="-3.35419472" z3="8.52430672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1329308" y3="-3.83014084" z3="8.54926151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40071149" y3="-4.09641068" z3="8.15786588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07528633" y3="-1.74130268" z3="7.14730066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19605759" y3="0.15736475" z3="5.73222206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22328611" y3="-0.27374616" z3="6.03170935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12346825" y3="1.24820162" z3="5.94187919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37881255" y3="0.0049384" z3="4.21032394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.55918463" y3="0.53811109" z3="3.68650474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31295223" y3="0.5203127" z3="3.91296669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45438297" y3="-1.44158235" z3="3.71058386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58427692" y3="-1.42960766" z3="2.60845881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36195071" y3="-1.90933268" z3="4.13280897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25252042" y3="-2.32318283" z3="4.06937948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41718138" y3="-3.32774816" z3="3.63432442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22216342" y3="-2.46125663" z3="5.16497779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08940071" y3="-1.7829137" z3="3.57763872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35096392" y3="-0.83651657" z3="4.08286124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90577074" y3="-2.49934535" z3="3.7819187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07556616" y3="-1.58724307" z3="2.48748502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00658853" y3="-2.33763456" z3="7.34223173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26882369" y3="-0.46698831" z3="6.57691414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30880519" y3="-0.19894517" z3="6.36078072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25110124" y3="-2.29247282" z3="7.61639041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85278772" y3="0.6489609" z3="10.83788266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01870027" y3="0.99628941" z3="11.87493668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60822408" y3="1.13701279" z3="10.19378634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.05067336" y3="-0.43780515" z3="10.8080938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56408004" y3="0.95282901" z3="10.35694623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30345239" y3="0.47028448" z3="11.01962387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.7532118" y3="2.04229445" z3="10.42673703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83121713" y3="0.46747503" z3="8.93090364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59740692" y3="-0.61094233" z3="8.85915456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16073519" y3="0.98185987" z3="8.21799966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29001286" y3="0.70418094" z3="8.53392692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21102378" y3="0.34757274" z3="9.26799952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43169125" y3="1.58118802" z3="7.8467785">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8665,-4.0043,10.9631;-3.9047,-4.3814,11.0354;-2.5711,-3.6511,11.9675;-2.2185,-4.8644,10.7082;-2.7478,-2.8907,9.9269;-1.7111,-2.5177,9.889;-3.373,-2.0206,10.1865;-3.1345,-3.3542,8.5243;-4.1329,-3.8301,8.5493;-2.4007,-4.0964,8.1579;-2.0753,-1.7413,7.1473;-1.1961,.1574,5.7322;-.2233,-.2737,6.0317;-1.1235,1.2482,5.9419;-1.3788,.0049,4.2103;-.5592,.5381,3.6865;-2.313,.5203,3.913;-1.4544,-1.4416,3.7106;-1.5843,-1.4296,2.6085;-2.362,-1.9093,4.1328;-.2525,-2.3232,4.0694;-.4172,-3.3277,3.6343;-.2222,-2.4613,5.165;1.0894,-1.7829,3.5776;1.351,-.8365,4.0829;1.9058,-2.4993,3.7819;1.0756,-1.5872,2.4875;-1.0066,-2.3376,7.3422;-2.2688,-.467,6.5769;-3.3088,-.1989,6.3608;-3.2511,-2.2925,7.6164;.8528,.649,10.8379;1.0187,.9963,11.8749;1.6082,1.137,10.1938;1.0507,-.4378,10.8081;-.5641,.9528,10.3569;-1.3035,.4703,11.0196;-.7532,2.0423,10.4267;-.8312,.4675,8.9309;-.5974,-.6109,8.8592;-.1607,.9819,8.218;-2.29,.7042,8.5339;-3.211,.3476,9.268;-2.4317,1.5812,7.8468;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605822366662</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000364649168 0.000097916775 0.005066211806 0.001278778308</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036578479 0.000089355 0.000174379 0.000402242 0.000738464 0.000830594 0.001509828 0.001610398 0.002318376 0.003006453 0.003535971 0.004519973 0.005214304 0.006203794 0.006320812 0.007456559 0.009541103 0.009890432 0.011909565 0.013871165 0.014757431 0.015474685 0.019793041 0.021843588 0.024665027 0.027706644 0.028832566 0.031261761 0.032178052 0.036755065 0.038521157 0.039939563 0.041079134 0.042560369 0.046312476 0.049771919 0.051275965 0.051365928 0.052362930 0.052819036 0.054584849 0.056098269 0.057630311 0.059043836 0.064773902 0.067023654 0.073747480 0.075337057 0.077389042 0.078348101 0.079320572 0.081423546 0.083035418 0.087596946 0.088927569 0.091370744 0.102706662 0.107886826 0.108416973 0.112519789 0.113984499 0.114925360 0.127742166 0.133734512 0.135540880 0.138893585 0.145992824 0.151969450 0.158099580 0.161869432 0.170786864 0.174299263 0.177032879 0.178033038 0.190407925 0.198575527 0.205355118 0.213016119 0.214646486 0.223178006 0.230047555 0.241538747 0.252789669 0.276051096 0.298807374 0.304010363 0.320178679 0.357258547 0.377720243 0.417253843 0.465863806 0.490081142 0.543368663 0.549476806 0.612086421 0.613956641 0.661725688 0.717040702 0.734974099 0.741876313 0.754651654 0.765010695 0.778593409 0.780768908 0.785661289 0.787141979 0.795421889 0.818596511 0.819534702 0.842294817 0.848715036 0.856908506 0.859476245 0.880781202 0.894521775 0.917777053 0.921151143 0.921444508 0.930199491 0.975066232 0.988012822 1.023879698 1.030001461 1.089806404 1.440961269 1.530705938</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">111</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86438727" y3="-4.00273713" z3="10.9634419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90181366" y3="-4.38170287" z3="11.03565324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.56957688" y3="-3.64936102" z3="11.96767816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.21499659" y3="-4.86167258" z3="10.70863726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7474711" y3="-2.88873458" z3="9.92731786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71131984" y3="-2.51429482" z3="9.88884668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.37371658" y3="-2.01947987" z3="10.18720065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.134398" y3="-3.35287004" z3="8.52506724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13301027" y3="-3.82860266" z3="8.55046902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40085986" y3="-4.09534552" z3="8.1587923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07549769" y3="-1.740558" z3="7.14732026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19645664" y3="0.15767773" z3="5.73152518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2235671" y3="-0.27308743" z3="6.03115304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12402858" y3="1.24865477" z3="5.94039439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.37929374" y3="0.00417863" z3="4.20970795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.5598141" y3="0.53733888" z3="3.6855051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31367064" y3="0.51906485" z3="3.91193751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45422712" y3="-1.44265405" z3="3.71077359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58437648" y3="-1.43128779" z3="2.60864945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36149158" y3="-1.91069851" z3="4.13340862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25172161" y3="-2.3233755" z3="4.06959022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41595927" y3="-3.32821866" z3="3.63503648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.22090092" y3="-2.46091869" z3="5.16521654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08955454" y3="-1.78239223" z3="3.57699137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.3511231" y3="-0.83589301" z3="4.08201813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.9063968" y3="-2.49826642" z3="3.78037839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07454535" y3="-1.58662717" z3="2.48705758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00682915" y3="-2.33688612" z3="7.34201568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26900744" y3="-0.46606086" z3="6.57701976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30900797" y3="-0.19824212" z3="6.36068709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25111198" y3="-2.29141717" z3="7.61684011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85106515" y3="0.64544128" z3="10.8390248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01652854" y3="0.99122319" z3="11.8765926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60722372" y3="1.13349565" z3="10.19615995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.0478235" y3="-0.44160848" z3="10.80765906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56502398" y3="0.95128252" z3="10.35724205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30530685" y3="0.46852039" z3="11.01862209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75331391" y3="2.04080127" z3="10.42832069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8311996" y3="0.46773752" z3="8.93042406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59735575" y3="-0.61049837" z3="8.85795533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16008702" y3="0.98268607" z3="8.21856075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28983921" y3="0.70456013" z3="8.53257953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21083211" y3="0.34825147" z3="9.26679111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43115199" y3="1.58196462" z3="7.84611005">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8644,-4.0027,10.9634;-3.9018,-4.3817,11.0357;-2.5696,-3.6494,11.9677;-2.215,-4.8617,10.7086;-2.7475,-2.8887,9.9273;-1.7113,-2.5143,9.8888;-3.3737,-2.0195,10.1872;-3.1344,-3.3529,8.5251;-4.133,-3.8286,8.5505;-2.4009,-4.0953,8.1588;-2.0755,-1.7406,7.1473;-1.1965,.1577,5.7315;-.2236,-.2731,6.0312;-1.124,1.2487,5.9404;-1.3793,.0042,4.2097;-.5598,.5373,3.6855;-2.3137,.5191,3.9119;-1.4542,-1.4427,3.7108;-1.5844,-1.4313,2.6086;-2.3615,-1.9107,4.1334;-.2517,-2.3234,4.0696;-.416,-3.3282,3.635;-.2209,-2.4609,5.1652;1.0896,-1.7824,3.577;1.3511,-.8359,4.082;1.9064,-2.4983,3.7804;1.0745,-1.5866,2.4871;-1.0068,-2.3369,7.342;-2.269,-.4661,6.577;-3.309,-.1982,6.3607;-3.2511,-2.2914,7.6168;.8511,.6454,10.839;1.0165,.9912,11.8766;1.6072,1.1335,10.1962;1.0478,-.4416,10.8077;-.565,.9513,10.3572;-1.3053,.4685,11.0186;-.7533,2.0408,10.4283;-.8312,.4677,8.9304;-.5974,-.6105,8.858;-.1601,.9827,8.2186;-2.2898,.7046,8.5326;-3.2108,.3483,9.2668;-2.4312,1.582,7.8461;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605823082662</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000146445543 0.000034342443 0.006956675902 0.001844629400</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.003072814586 0.002048543058</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036575346 -0.000057368 0.000167893 0.000395546 0.000735785 0.000837379 0.001512174 0.001595267 0.002344485 0.003005647 0.003526681 0.004485653 0.005212581 0.006210044 0.006330753 0.007402171 0.009547319 0.009918084 0.011905860 0.013679220 0.014678828 0.015491156 0.019793329 0.021825716 0.024650109 0.027715067 0.028811469 0.031261778 0.032181281 0.036784788 0.038515412 0.039923135 0.041077146 0.042560467 0.046312336 0.049771909 0.051274300 0.051364123 0.052360473 0.052799674 0.054597842 0.056097793 0.057629935 0.059045276 0.064776772 0.067031297 0.073747632 0.075340086 0.077389515 0.078348171 0.079321443 0.081367333 0.083002607 0.087595208 0.088913570 0.091374743 0.102706886 0.107889803 0.108414791 0.112523594 0.113984421 0.114922897 0.127726880 0.133734643 0.135534696 0.138896001 0.145994587 0.151971199 0.158098026 0.161868890 0.170787472 0.174289699 0.177028520 0.178034068 0.190399407 0.198572756 0.205354371 0.213016262 0.214646661 0.223187058 0.230047793 0.241499039 0.252790128 0.276027452 0.298758566 0.303992650 0.320118937 0.357222921 0.377716384 0.417250774 0.465864027 0.490079045 0.543371596 0.549478038 0.612086056 0.613950359 0.661708909 0.716894891 0.734960286 0.741876504 0.754645792 0.765010190 0.778571563 0.780692584 0.785616147 0.787142526 0.795423575 0.818596689 0.819535249 0.842238741 0.848710007 0.856914798 0.859468280 0.880780080 0.894521345 0.917777268 0.921147092 0.921432643 0.930188575 0.975057750 0.988007831 1.023879934 1.029967191 1.089743333 1.440962077 1.530706572</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">112</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86098659" y3="-4.00080175" z3="10.9637105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.89776377" y3="-4.38157403" z3="11.03693247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.56551873" y3="-3.64703119" z3="11.9677636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.21043644" y3="-4.85864153" z3="10.70790627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74689773" y3="-2.88660463" z3="9.92762456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71135599" y3="-2.51061686" z3="9.88817393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.374106" y3="-2.01831519" z3="10.18836001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13480695" y3="-3.35107733" z3="8.52578884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13359583" y3="-3.82617654" z3="8.55215752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40202" y3="-4.09417403" z3="8.15929589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07594626" y3="-1.73966178" z3="7.14700083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.19699409" y3="0.15820542" z3="5.73055669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22387202" y3="-0.27192827" z3="6.03033381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12493843" y3="1.24937266" z3="5.9384658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38028095" y3="0.00320897" z3="4.20896439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56154744" y3="0.53661894" z3="3.68392774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31522082" y3="0.51697972" z3="3.91121863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45418128" y3="-1.44413025" z3="3.71133951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58512783" y3="-1.43387581" z3="2.60933322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.36067116" y3="-1.91267529" z3="4.13500583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25063617" y3="-2.32340342" z3="4.07012686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.4141816" y3="-3.3287663" z3="3.63652162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21914905" y3="-2.46004141" z3="5.1658452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08992367" y3="-1.78163819" z3="3.57636013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35077152" y3="-0.83436045" z3="4.08028953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.9075591" y3="-2.49658762" z3="3.78027584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07440625" y3="-1.58704966" z3="2.4861299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00739525" y3="-2.33630503" z3="7.34128092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.26925596" y3="-0.46499691" z3="6.57686049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30927866" y3="-0.19720971" z3="6.36057174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2515417" y3="-2.29001383" z3="7.61709378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84863899" y3="0.64033324" z3="10.84099793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01297844" y3="0.98426652" z3="11.8793695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60692425" y3="1.12791506" z3="10.2001991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.04341132" y3="-0.44698815" z3="10.80848559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56613523" y3="0.94941447" z3="10.35739183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30829722" y3="0.46704847" z3="11.01692803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75263763" y3="2.03913154" z3="10.42966859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83110643" y3="0.46820275" z3="8.92958709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59699411" y3="-0.60993838" z3="8.85552214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15949016" y3="0.98437232" z3="8.21902121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28953623" y3="0.70555296" z3="8.53082257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21119618" y3="0.35009808" z3="9.26483633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42987548" y3="1.58324976" z3="7.84432688">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.861,-4.0008,10.9637;-3.8978,-4.3816,11.0369;-2.5655,-3.647,11.9678;-2.2104,-4.8586,10.7079;-2.7469,-2.8866,9.9276;-1.7114,-2.5106,9.8882;-3.3741,-2.0183,10.1884;-3.1348,-3.3511,8.5258;-4.1336,-3.8262,8.5522;-2.402,-4.0942,8.1593;-2.0759,-1.7397,7.147;-1.197,.1582,5.7306;-.2239,-.2719,6.0303;-1.1249,1.2494,5.9385;-1.3803,.0032,4.209;-.5615,.5366,3.6839;-2.3152,.517,3.9112;-1.4542,-1.4441,3.7113;-1.5851,-1.4339,2.6093;-2.3607,-1.9127,4.135;-.2506,-2.3234,4.0701;-.4142,-3.3288,3.6365;-.2191,-2.46,5.1658;1.0899,-1.7816,3.5764;1.3508,-.8344,4.0803;1.9076,-2.4966,3.7803;1.0744,-1.587,2.4861;-1.0074,-2.3363,7.3413;-2.2693,-.465,6.5769;-3.3093,-.1972,6.3606;-3.2515,-2.29,7.6171;.8486,.6403,10.841;1.013,.9843,11.8794;1.6069,1.1279,10.2002;1.0434,-.447,10.8085;-.5661,.9494,10.3574;-1.3083,.467,11.0169;-.7526,2.0391,10.4297;-.8311,.4682,8.9296;-.597,-.6099,8.8555;-.1595,.9844,8.219;-2.2895,.7056,8.5308;-3.2112,.3501,9.2648;-2.4299,1.5832,7.8443;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605823606908</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000224270260 0.000054733254 0.009312292446 0.002664639498</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002006507687 0.001337671791</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036532158 0.000112275 0.000196810 0.000337922 0.000710779 0.000801534 0.001458294 0.001513573 0.002265130 0.003003431 0.003498500 0.004305111 0.005208922 0.006108840 0.006313899 0.007050499 0.009555808 0.009879840 0.011819658 0.012165623 0.014551073 0.015495721 0.019720932 0.021802578 0.024612707 0.027712311 0.028789347 0.031261752 0.032169035 0.036715906 0.038225586 0.039877622 0.041071519 0.042559685 0.046313658 0.049771788 0.051265693 0.051358914 0.052335826 0.052661674 0.054114911 0.056094376 0.057629135 0.059039240 0.064740921 0.067026609 0.073748081 0.075341253 0.077389220 0.078348935 0.079321143 0.081190038 0.082886614 0.087594719 0.088800965 0.091376718 0.102707090 0.107898007 0.108410180 0.112526269 0.113985543 0.114915904 0.127682495 0.133735958 0.135493588 0.138899119 0.145998382 0.151968152 0.158097177 0.161866428 0.170787833 0.174237548 0.177008301 0.178035796 0.190366610 0.198565748 0.205349743 0.213016742 0.214644937 0.223181281 0.230039398 0.241317947 0.252779023 0.275867742 0.298474432 0.303904900 0.319873792 0.356991747 0.377685351 0.417216482 0.465863328 0.490064060 0.543370513 0.549465324 0.612077631 0.613901002 0.661595755 0.715990885 0.734882456 0.741859966 0.754594301 0.765004760 0.778261823 0.780290825 0.785374855 0.787136687 0.795422407 0.818596339 0.819531252 0.842026110 0.848685578 0.856912948 0.859437139 0.880772118 0.894518616 0.917777198 0.921104104 0.921381623 0.930069310 0.975014924 0.987938317 1.023878635 1.029827248 1.089342867 1.440953580 1.530662648</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">113</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85584363" y3="-4.00016589" z3="10.96221491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.89255875" y3="-4.3805892" z3="11.03750211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55772294" y3="-3.6479781" z3="11.96571721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.20644683" y3="-4.85811898" z3="10.70390041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74363375" y3="-2.88468067" z3="9.92704979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.70792608" y3="-2.50910707" z3="9.88535051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.36989439" y3="-2.01628434" z3="10.18999263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1356417" y3="-3.34789758" z3="8.5259091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13558602" y3="-3.8205268" z3="8.55451117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.40555376" y3="-4.09263922" z3="8.15754569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.07705697" y3="-1.73684387" z3="7.14684781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.1978405" y3="0.15988146" z3="5.7291671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2245211" y3="-0.26930366" z3="6.0297108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12624916" y3="1.25146162" z3="5.93487068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38107822" y3="0.00163939" z3="4.20781279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56257892" y3="0.53447966" z3="3.68170161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3163438" y3="0.51432591" z3="3.90890225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45409417" y3="-1.44670537" z3="3.71287544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58550831" y3="-1.43848632" z3="2.6108433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.3601747" y3="-1.91516014" z3="4.13768455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2496985" y3="-2.32451418" z3="4.07260412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.41298506" y3="-3.33088402" z3="3.6412258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21738187" y3="-2.45885994" z3="5.16857092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09001624" y3="-1.78290288" z3="3.57652191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35070013" y3="-0.83429758" z3="4.07806283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.90832323" y3="-2.49670501" z3="3.78110192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07317612" y3="-1.59074939" z3="2.48601677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00871059" y3="-2.3339075" z3="7.34048093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.269894" y3="-0.46171365" z3="6.57706456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.30987063" y3="-0.19402818" z3="6.36034673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25240157" y3="-2.28631544" z3="7.61775842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84530143" y3="0.63525662" z3="10.84350628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.00769864" y3="0.97495423" z3="11.88356172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60511633" y3="1.12490357" z3="10.20620866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.03949104" y3="-0.45215017" z3="10.80695596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56831941" y3="0.94701957" z3="10.35824291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31199716" y3="0.46286113" z3="11.01478905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75427898" y3="2.03666053" z3="10.43393437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83113122" y3="0.47036794" z3="8.92849424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59605929" y3="-0.60726951" z3="8.85188671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15900139" y3="0.9890299" z3="8.2202476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28951411" y3="0.70739484" z3="8.52853673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21112292" y3="0.35184672" z3="9.26271036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.42956455" y3="1.5860889" z3="7.84343346">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8558,-4.0002,10.9622;-3.8926,-4.3806,11.0375;-2.5577,-3.648,11.9657;-2.2064,-4.8581,10.7039;-2.7436,-2.8847,9.927;-1.7079,-2.5091,9.8854;-3.3699,-2.0163,10.19;-3.1356,-3.3479,8.5259;-4.1356,-3.8205,8.5545;-2.4056,-4.0926,8.1575;-2.0771,-1.7368,7.1468;-1.1978,.1599,5.7292;-.2245,-.2693,6.0297;-1.1262,1.2515,5.9349;-1.3811,.0016,4.2078;-.5626,.5345,3.6817;-2.3163,.5143,3.9089;-1.4541,-1.4467,3.7129;-1.5855,-1.4385,2.6108;-2.3602,-1.9152,4.1377;-.2497,-2.3245,4.0726;-.413,-3.3309,3.6412;-.2174,-2.4589,5.1686;1.09,-1.7829,3.5765;1.3507,-.8343,4.0781;1.9083,-2.4967,3.7811;1.0732,-1.5907,2.486;-1.0087,-2.3339,7.3405;-2.2699,-.4617,6.5771;-3.3099,-.194,6.3603;-3.2524,-2.2863,7.6178;.8453,.6353,10.8435;1.0077,.975,11.8836;1.6051,1.1249,10.2062;1.0395,-.4522,10.807;-.5683,.947,10.3582;-1.312,.4629,11.0148;-.7543,2.0367,10.4339;-.8311,.4704,8.9285;-.5961,-.6073,8.8519;-.159,.989,8.2202;-2.2895,.7074,8.5285;-3.2111,.3518,9.2627;-2.4296,1.5861,7.8434;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605824248272</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000168233750 0.000044792145 0.011937029447 0.003843110075</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002674849718 0.001783233145</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036529133 0.000137950 0.000148970 0.000364949 0.000662276 0.000783572 0.001377769 0.001514768 0.002221318 0.003002300 0.003452743 0.004142822 0.005190965 0.005977785 0.006306808 0.006835174 0.009562395 0.009844552 0.011376097 0.011982031 0.014529825 0.015498431 0.019698885 0.021794954 0.024598707 0.027711860 0.028779829 0.031261532 0.032164181 0.036674999 0.038097199 0.039868030 0.041069949 0.042560590 0.046313618 0.049771648 0.051260981 0.051356626 0.052299926 0.052569472 0.053917538 0.056093391 0.057628579 0.059037027 0.064726001 0.067022324 0.073748181 0.075340660 0.077389641 0.078349132 0.079320376 0.081100102 0.082849224 0.087595153 0.088764614 0.091375065 0.102707040 0.107899665 0.108408828 0.112526473 0.113986179 0.114914189 0.127679120 0.133735458 0.135476481 0.138899632 0.145997740 0.151967206 0.158098613 0.161864823 0.170787816 0.174210609 0.176997909 0.178035834 0.190342566 0.198561086 0.205345061 0.213016381 0.214639727 0.223175438 0.230025473 0.241250782 0.252778644 0.275785553 0.298276423 0.303864244 0.319765475 0.356844443 0.377667086 0.417205300 0.465863075 0.490051753 0.543370559 0.549462332 0.612072191 0.613878889 0.661555475 0.715605970 0.734857678 0.741859665 0.754575775 0.765002427 0.778098014 0.780119105 0.785270052 0.787128124 0.795422826 0.818596225 0.819524170 0.841987835 0.848684147 0.856915276 0.859426179 0.880771063 0.894518592 0.917777180 0.921076612 0.921371695 0.930031336 0.975008158 0.987918452 1.023877914 1.029820101 1.089106819 1.440953814 1.530660224</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">114</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85928406" y3="-4.00724632" z3="10.95779024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.89796204" y3="-4.38189119" z3="11.0360055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55491198" y3="-3.65991513" z3="11.96135615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.21601" y3="-4.86825221" z3="10.69396678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74454204" y3="-2.88953969" z3="9.92551952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.70747874" y3="-2.5179524" z3="9.88274351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.3669837" y3="-2.01948911" z3="10.19200645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1411215" y3="-3.34770442" z3="8.52398851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14260172" y3="-3.81683263" z3="8.55370359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.41456995" y3="-4.09433372" z3="8.15233351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0800401" y3="-1.73575303" z3="7.14769761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.1991673" y3="0.16042285" z3="5.73009091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22581178" y3="-0.26799324" z3="6.03158403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.12811408" y3="1.25226314" z3="5.93447293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38166622" y3="0.00006554" z3="4.20888219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56367407" y3="0.53317455" z3="3.68232976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31741664" y3="0.51123051" z3="3.9091306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45286458" y3="-1.44899201" z3="3.71579505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58436033" y3="-1.44235551" z3="2.613808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35828691" y3="-1.91804511" z3="4.14124757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24743487" y3="-2.32486294" z3="4.07665214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40934318" y3="-3.33185513" z3="3.64624109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21542816" y3="-2.45813738" z3="5.17276092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09184624" y3="-1.78213021" z3="3.58048933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35115931" y3="-0.83265835" z3="4.08108016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91097193" y3="-2.49475083" z3="3.786344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07537117" y3="-1.59122456" z3="2.48966028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01243354" y3="-2.3342551" z3="7.34119918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27151409" y3="-0.46036938" z3="6.57816127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31126517" y3="-0.19162681" z3="6.36165821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25616301" y3="-2.28389012" z3="7.61830978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85092025" y3="0.64271577" z3="10.83867246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01457382" y3="0.98208249" z3="11.87865592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60788425" y3="1.13515886" z3="10.20010676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.0483624" y3="-0.4440228" z3="10.80102836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56479875" y3="0.95039914" z3="10.35687127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30550569" y3="0.46509245" z3="11.01582201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.7532657" y3="2.03958152" z3="10.43203333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83023105" y3="0.4720326" z3="8.92819774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59491244" y3="-0.60566961" z3="8.85193214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.15985212" y3="0.99060748" z3="8.2182155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28944383" y3="0.70810307" z3="8.53105284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20963108" y3="0.35124656" z3="9.26639024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43136071" y3="1.58695972" z3="7.84638551">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8593,-4.0072,10.9578;-3.898,-4.3819,11.036;-2.5549,-3.6599,11.9614;-2.216,-4.8683,10.694;-2.7445,-2.8895,9.9255;-1.7075,-2.518,9.8827;-3.367,-2.0195,10.192;-3.1411,-3.3477,8.524;-4.1426,-3.8168,8.5537;-2.4146,-4.0943,8.1523;-2.08,-1.7358,7.1477;-1.1992,.1604,5.7301;-.2258,-.268,6.0316;-1.1281,1.2523,5.9345;-1.3817,.0001,4.2089;-.5637,.5332,3.6823;-2.3174,.5112,3.9091;-1.4529,-1.449,3.7158;-1.5844,-1.4424,2.6138;-2.3583,-1.918,4.1412;-.2474,-2.3249,4.0767;-.4093,-3.3319,3.6462;-.2154,-2.4581,5.1728;1.0918,-1.7821,3.5805;1.3512,-.8327,4.0811;1.911,-2.4948,3.7863;1.0754,-1.5912,2.4897;-1.0124,-2.3343,7.3412;-2.2715,-.4604,6.5782;-3.3113,-.1916,6.3617;-3.2562,-2.2839,7.6183;.8509,.6427,10.8387;1.0146,.9821,11.8787;1.6079,1.1352,10.2001;1.0484,-.444,10.801;-.5648,.9504,10.3569;-1.3055,.4651,11.0158;-.7533,2.0396,10.432;-.8302,.472,8.9282;-.5949,-.6057,8.8519;-.1599,.9906,8.2182;-2.2894,.7081,8.5311;-3.2096,.3512,9.2664;-2.4314,1.587,7.8464;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605826050576</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000234421388 0.000049652666 0.011632527738 0.004352098069</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001919620066 0.001279746711</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036534008 0.000114118 0.000141922 0.000377250 0.000659658 0.000792104 0.001373969 0.001515206 0.002218663 0.003004771 0.003449817 0.004134594 0.005193583 0.005971904 0.006306999 0.006826332 0.009563613 0.009847312 0.011339453 0.011980626 0.014529795 0.015500023 0.019697839 0.021795500 0.024597694 0.027712648 0.028779985 0.031261292 0.032164122 0.036678846 0.038091775 0.039866820 0.041069842 0.042560713 0.046313781 0.049771698 0.051261090 0.051356533 0.052297470 0.052564501 0.053912574 0.056093533 0.057628487 0.059037079 0.064725729 0.067023862 0.073748249 0.075340851 0.077389943 0.078349265 0.079320176 0.081093690 0.082844666 0.087595076 0.088763009 0.091373387 0.102707093 0.107901503 0.108408757 0.112527584 0.113986424 0.114914024 0.127679126 0.133735732 0.135472191 0.138900197 0.145998252 0.151968255 0.158098914 0.161864862 0.170788007 0.174208359 0.176996994 0.178036153 0.190341234 0.198563092 0.205346021 0.213016170 0.214641250 0.223176506 0.230025314 0.241246870 0.252781621 0.275776405 0.298246065 0.303860063 0.319755611 0.356835246 0.377666902 0.417205893 0.465863092 0.490051286 0.543371750 0.549463535 0.612071672 0.613878210 0.661553970 0.715582257 0.734856306 0.741860225 0.754574701 0.765002229 0.778088412 0.780110236 0.785264796 0.787127537 0.795423396 0.818596676 0.819524562 0.841990518 0.848684038 0.856917544 0.859426104 0.880771261 0.894518584 0.917777443 0.921074924 0.921371194 0.930029295 0.975007426 0.987916957 1.023878028 1.029815115 1.089097075 1.440954407 1.530661384</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">115</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86571013" y3="-4.01435572" z3="10.95458041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90610022" y3="-4.38373877" z3="11.03405337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55753058" y3="-3.67128156" z3="11.95819974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.22764252" y3="-4.87809464" z3="10.68740258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74731162" y3="-2.89460402" z3="9.92472243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.7089238" y3="-2.52658843" z3="9.88200458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.36660479" y3="-2.02291788" z3="10.19332585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1462473" y3="-3.34863741" z3="8.52253518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14878661" y3="-3.81566953" z3="8.55215866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42167932" y3="-4.09607125" z3="8.14868189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08336326" y3="-1.73559672" z3="7.14871824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20134734" y3="0.1604756" z3="5.7314209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22794837" y3="-0.26723521" z3="6.03378511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13094377" y3="1.25250692" z3="5.93498499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38258273" y3="-0.00117816" z3="4.21016303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56496512" y3="0.53283662" z3="3.68387439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31891147" y3="0.50838136" z3="3.90933013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.45107736" y3="-1.45065258" z3="3.71789452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58156542" y3="-1.44482941" z3="2.61572478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35621783" y3="-1.92089391" z3="4.14278519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24451184" y3="-2.32441435" z3="4.08035252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.40423144" y3="-3.33180608" z3="3.65004075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21362428" y3="-2.45732876" z3="5.17655324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09437286" y3="-1.77954373" z3="3.58545216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35162419" y3="-0.8295581" z3="4.08614126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91449511" y3="-2.49074344" z3="3.79215282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.07861256" y3="-1.58880513" z3="2.49461502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0163103" y3="-2.33516868" z3="7.34190126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27387656" y3="-0.45995248" z3="6.57949949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31346973" y3="-0.19023176" z3="6.36344572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25996677" y3="-2.2827344" z3="7.61921321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85884815" y3="0.6512784" z3="10.83129836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02535134" y3="0.99220095" z3="11.87030774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.6116763" y3="1.14571649" z3="10.18936892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.05983752" y3="-0.43481281" z3="10.79383433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55965883" y3="0.95390767" z3="10.3545103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29650952" y3="0.46756382" z3="11.01717702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75088144" y3="2.04275155" z3="10.42857067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82913929" y3="0.47232073" z3="8.92762639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59430424" y3="-0.60553462" z3="8.85324053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16072429" y3="0.98932947" z3="8.21476281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2893722" y3="0.7074693" z3="8.53416713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20738512" y3="0.34904321" z3="9.27131149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43375439" y3="1.58658477" z3="7.85048373">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8657,-4.0144,10.9546;-3.9061,-4.3837,11.0341;-2.5575,-3.6713,11.9582;-2.2276,-4.8781,10.6874;-2.7473,-2.8946,9.9247;-1.7089,-2.5266,9.882;-3.3666,-2.0229,10.1933;-3.1462,-3.3486,8.5225;-4.1488,-3.8157,8.5522;-2.4217,-4.0961,8.1487;-2.0834,-1.7356,7.1487;-1.2013,.1605,5.7314;-.2279,-.2672,6.0338;-1.1309,1.2525,5.935;-1.3826,-.0012,4.2102;-.565,.5328,3.6839;-2.3189,.5084,3.9093;-1.4511,-1.4507,3.7179;-1.5816,-1.4448,2.6157;-2.3562,-1.9209,4.1428;-.2445,-2.3244,4.0804;-.4042,-3.3318,3.65;-.2136,-2.4573,5.1766;1.0944,-1.7795,3.5855;1.3516,-.8296,4.0861;1.9145,-2.4907,3.7922;1.0786,-1.5888,2.4946;-1.0163,-2.3352,7.3419;-2.2739,-.46,6.5795;-3.3135,-.1902,6.3634;-3.26,-2.2827,7.6192;.8588,.6513,10.8313;1.0254,.9922,11.8703;1.6117,1.1457,10.1894;1.0598,-.4348,10.7938;-.5597,.9539,10.3545;-1.2965,.4676,11.0172;-.7509,2.0428,10.4286;-.8291,.4723,8.9276;-.5943,-.6055,8.8532;-.1607,.9893,8.2148;-2.2894,.7075,8.5342;-3.2074,.349,9.2713;-2.4338,1.5866,7.8505;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605826797175</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000207790104 0.000041453924 0.006013086985 0.002362983096</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002165646924 0.001443764616</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036534210 0.000096124 0.000163849 0.000347068 0.000658981 0.000795242 0.001371453 0.001516680 0.002218503 0.003005849 0.003450846 0.004129199 0.005192404 0.005970847 0.006307372 0.006820292 0.009567602 0.009847984 0.011321983 0.011981090 0.014528874 0.015501283 0.019697340 0.021796159 0.024597160 0.027714444 0.028784198 0.031261130 0.032164052 0.036680071 0.038090229 0.039866371 0.041069756 0.042561392 0.046313804 0.049771716 0.051261895 0.051356520 0.052296432 0.052562130 0.053912627 0.056094113 0.057628479 0.059037345 0.064725963 0.067023963 0.073748246 0.075340994 0.077390334 0.078349306 0.079320033 0.081089573 0.082843119 0.087594879 0.088761952 0.091370774 0.102707102 0.107901322 0.108408774 0.112527623 0.113986491 0.114914231 0.127678686 0.133736128 0.135469244 0.138900145 0.145998308 0.151968040 0.158099109 0.161865045 0.170788276 0.174207596 0.176996259 0.178036090 0.190338567 0.198562669 0.205346396 0.213016069 0.214643151 0.223176584 0.230024870 0.241245643 0.252785018 0.275770527 0.298221756 0.303857250 0.319748284 0.356830054 0.377667166 0.417205465 0.465862955 0.490050672 0.543372554 0.549463558 0.612072011 0.613877876 0.661553138 0.715575117 0.734855607 0.741860757 0.754574800 0.765002277 0.778086083 0.780104301 0.785262164 0.787127384 0.795423473 0.818596709 0.819524727 0.841987181 0.848683930 0.856917947 0.859425853 0.880771354 0.894518340 0.917777427 0.921075211 0.921370633 0.930028146 0.975007469 0.987916284 1.023878063 1.029812767 1.089092627 1.440954641 1.530662232</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">116</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86538987" y3="-4.01531217" z3="10.95320077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90527768" y3="-4.38582995" z3="11.03388756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.5558829" y3="-3.67320614" z3="11.95697693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.22688904" y3="-4.87797474" z3="10.68361342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74971943" y3="-2.89436855" z3="9.92462657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71198844" y3="-2.52496254" z3="9.88117796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.36977233" y3="-2.02392864" z3="10.19516046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14966046" y3="-3.34718114" z3="8.52236785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15234816" y3="-3.81361939" z3="8.55219184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42577137" y3="-4.09483106" z3="8.14763712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08619589" y3="-1.73436805" z3="7.14887075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20369043" y3="0.16126957" z3="5.73113207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.22996495" y3="-0.26510778" z3="6.03432785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13428226" y3="1.25366901" z3="5.93293472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.3846354" y3="-0.00323643" z3="4.21018369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56832234" y3="0.53176192" z3="3.68294614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32212925" y3="0.50368285" z3="3.90871778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44984194" y3="-1.45368328" z3="3.72028091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5808383" y3="-1.44994614" z3="2.6182299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35359881" y3="-1.92546329" z3="4.14626801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24110358" y3="-2.32398022" z3="4.0836746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39821835" y3="-3.33219016" z3="3.6543163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.21024548" y3="-2.45579475" z3="5.17998526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09657968" y3="-1.77627094" z3="3.58861674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35140721" y3="-0.82519945" z3="4.08849892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91837254" y3="-2.48532832" z3="3.79632475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08078941" y3="-1.58659705" z3="2.49753901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01948843" y3="-2.33471789" z3="7.34158722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27600225" y3="-0.45838406" z3="6.58008937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31553578" y3="-0.18812496" z3="6.36437004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26301755" y3="-2.28071305" z3="7.61967676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.86121631" y3="0.64876669" z3="10.82816116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02884348" y3="0.98855647" z3="11.86739306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61401263" y3="1.14307656" z3="10.1860967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.06120288" y3="-0.43743879" z3="10.78962744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55742647" y3="0.95294292" z3="10.35284234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29398487" y3="0.46673829" z3="11.01570771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74782522" y3="2.04177995" z3="10.42788715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82833677" y3="0.47287247" z3="8.925791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59322119" y3="-0.60494221" z3="8.84966753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.1608203" y3="0.99108217" z3="8.2128612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2890401" y3="0.70819627" z3="8.53395692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20641774" y3="0.34980343" z3="9.27209863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43390255" y3="1.58788988" z3="7.85087072">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8654,-4.0153,10.9532;-3.9053,-4.3858,11.0339;-2.5559,-3.6732,11.957;-2.2269,-4.878,10.6836;-2.7497,-2.8944,9.9246;-1.712,-2.525,9.8812;-3.3698,-2.0239,10.1952;-3.1497,-3.3472,8.5224;-4.1523,-3.8136,8.5522;-2.4258,-4.0948,8.1476;-2.0862,-1.7344,7.1489;-1.2037,.1613,5.7311;-.23,-.2651,6.0343;-1.1343,1.2537,5.9329;-1.3846,-.0032,4.2102;-.5683,.5318,3.6829;-2.3221,.5037,3.9087;-1.4498,-1.4537,3.7203;-1.5808,-1.4499,2.6182;-2.3536,-1.9255,4.1463;-.2411,-2.324,4.0837;-.3982,-3.3322,3.6543;-.2102,-2.4558,5.18;1.0966,-1.7763,3.5886;1.3514,-.8252,4.0885;1.9184,-2.4853,3.7963;1.0808,-1.5866,2.4975;-1.0195,-2.3347,7.3416;-2.276,-.4584,6.5801;-3.3155,-.1881,6.3644;-3.263,-2.2807,7.6197;.8612,.6488,10.8282;1.0288,.9886,11.8674;1.614,1.1431,10.1861;1.0612,-.4374,10.7896;-.5574,.9529,10.3528;-1.294,.4667,11.0157;-.7478,2.0418,10.4279;-.8283,.4729,8.9258;-.5932,-.6049,8.8497;-.1608,.9911,8.2129;-2.289,.7082,8.534;-3.2064,.3498,9.2721;-2.4339,1.5879,7.8509;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605827064790</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000210835875 0.000048252363 0.009847305828 0.003392663396</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002134361623 0.001422907749</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036528833 0.000047462 0.000179913 0.000349934 0.000659051 0.000800878 0.001377803 0.001516445 0.002218914 0.003002285 0.003464296 0.004126568 0.005189472 0.005967000 0.006307372 0.006817071 0.009562790 0.009851501 0.011311981 0.011980114 0.014526740 0.015502824 0.019697143 0.021795703 0.024597560 0.027716519 0.028796624 0.031261305 0.032164185 0.036690615 0.038088371 0.039866581 0.041069831 0.042565056 0.046313870 0.049771699 0.051261617 0.051356491 0.052296158 0.052560166 0.053911565 0.056094640 0.057628349 0.059037460 0.064725935 0.067023841 0.073748240 0.075340838 0.077390705 0.078350147 0.079320073 0.081095677 0.082847096 0.087594807 0.088764268 0.091371202 0.102707375 0.107902181 0.108408996 0.112527978 0.113986749 0.114914584 0.127676695 0.133736141 0.135470256 0.138900144 0.145998930 0.151970397 0.158099083 0.161865034 0.170788927 0.174207855 0.176996280 0.178036121 0.190336642 0.198564121 0.205348290 0.213016649 0.214647413 0.223177616 0.230026332 0.241245574 0.252784783 0.275768545 0.298228361 0.303856824 0.319747469 0.356829312 0.377669853 0.417208316 0.465862845 0.490050758 0.543377071 0.549465687 0.612074319 0.613877983 0.661554099 0.715576686 0.734855811 0.741861913 0.754576032 0.765002457 0.778098906 0.780103448 0.785263521 0.787127333 0.795423893 0.818597279 0.819525600 0.841992515 0.848683769 0.856918891 0.859426414 0.880771677 0.894518342 0.917777547 0.921076578 0.921370773 0.930035278 0.975007518 0.987918211 1.023878165 1.029812437 1.089095948 1.440955128 1.530664383</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">117</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86991314" y3="-4.01831871" z3="10.95225029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.91064343" y3="-4.3863143" z3="11.03356017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55874869" y3="-3.67807148" z3="11.95581254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.23382187" y3="-4.88234932" z3="10.68150811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.75262877" y3="-2.89624459" z3="9.92469828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71419692" y3="-2.52841133" z3="9.88111002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.3712901" y3="-2.02495504" z3="10.19605691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15363157" y3="-3.34744369" z3="8.52227291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15681558" y3="-3.81320463" z3="8.55210643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43042563" y3="-4.09527992" z3="8.14654207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08980643" y3="-1.73441896" z3="7.14924616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20717896" y3="0.16142639" z3="5.73152424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2331304" y3="-0.26358685" z3="6.03553523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13902439" y3="1.25407961" z3="5.93224462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38688312" y3="-0.00482881" z3="4.21060172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57150948" y3="0.53182816" z3="3.68349422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32549033" y3="0.49948519" z3="3.90801147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44782321" y3="-1.45579351" z3="3.72169196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57749104" y3="-1.45311161" z3="2.6194003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35098187" y3="-1.92962092" z3="4.14690027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23715436" y3="-2.32270611" z3="4.08713048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39077572" y3="-3.33142577" z3="3.65769133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20780753" y3="-2.45422068" z3="5.18353957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0997565" y3="-1.77134873" z3="3.59401869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35125753" y3="-0.81954261" z3="4.09420051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92320198" y3="-2.47807458" z3="3.80287309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08498332" y3="-1.58174916" z3="2.50297739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02340416" y3="-2.33549111" z3="7.34108431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27915882" y3="-0.45805437" z3="6.58101892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31867316" y3="-0.18716016" z3="6.36603975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26663839" y3="-2.28001215" z3="7.62068286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.86743161" y3="0.65076509" z3="10.82140452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.03821846" y3="0.99206179" z3="11.85958977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61770699" y3="1.14485287" z3="10.1762494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.06810554" y3="-0.43536563" z3="10.78338604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55284213" y3="0.95351139" z3="10.35001011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.28733103" y3="0.46689134" z3="11.01518597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74375846" y3="2.04236219" z3="10.42506575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82730639" y3="0.47226422" z3="8.9239415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59282896" y3="-0.60558034" z3="8.84869897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16117385" y3="0.98947326" z3="8.20909876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28888233" y3="0.7073201" z3="8.53520977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20431945" y3="0.34821778" z3="9.27534168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43553401" y3="1.58753302" z3="7.85336577">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8699,-4.0183,10.9523;-3.9106,-4.3863,11.0336;-2.5587,-3.6781,11.9558;-2.2338,-4.8823,10.6815;-2.7526,-2.8962,9.9247;-1.7142,-2.5284,9.8811;-3.3713,-2.025,10.1961;-3.1536,-3.3474,8.5223;-4.1568,-3.8132,8.5521;-2.4304,-4.0953,8.1465;-2.0898,-1.7344,7.1492;-1.2072,.1614,5.7315;-.2331,-.2636,6.0355;-1.139,1.2541,5.9322;-1.3869,-.0048,4.2106;-.5715,.5318,3.6835;-2.3255,.4995,3.908;-1.4478,-1.4558,3.7217;-1.5775,-1.4531,2.6194;-2.351,-1.9296,4.1469;-.2372,-2.3227,4.0871;-.3908,-3.3314,3.6577;-.2078,-2.4542,5.1835;1.0998,-1.7713,3.594;1.3513,-.8195,4.0942;1.9232,-2.4781,3.8029;1.085,-1.5817,2.503;-1.0234,-2.3355,7.3411;-2.2792,-.4581,6.581;-3.3187,-.1872,6.366;-3.2666,-2.28,7.6207;.8674,.6508,10.8214;1.0382,.9921,11.8596;1.6177,1.1449,10.1762;1.0681,-.4354,10.7834;-.5528,.9535,10.35;-1.2873,.4669,11.0152;-.7438,2.0424,10.4251;-.8273,.4723,8.9239;-.5928,-.6056,8.8487;-.1612,.9895,8.2091;-2.2889,.7073,8.5352;-3.2043,.3482,9.2753;-2.4355,1.5875,7.8534;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605827048695</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000237682944 0.000053595355 0.003519404443 0.001291184942</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001893278469 0.001262185646</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036525351 0.000089376 0.000178153 0.000348322 0.000659135 0.000801114 0.001381188 0.001516196 0.002219167 0.003001601 0.003468613 0.004123548 0.005186620 0.005967105 0.006307872 0.006814378 0.009562266 0.009852827 0.011306848 0.011980237 0.014526255 0.015505221 0.019696842 0.021795981 0.024597594 0.027718872 0.028804553 0.031261285 0.032164202 0.036695661 0.038088181 0.039866607 0.041069881 0.042567981 0.046313903 0.049771711 0.051262091 0.051356476 0.052296323 0.052559455 0.053913944 0.056095734 0.057628318 0.059037964 0.064726135 0.067024017 0.073748218 0.075340905 0.077391122 0.078350566 0.079319999 0.081097165 0.082848898 0.087594705 0.088765138 0.091369986 0.102707427 0.107902478 0.108409138 0.112528436 0.113987017 0.114915281 0.127676159 0.133736485 0.135470217 0.138900111 0.145999471 0.151970477 0.158099446 0.161865167 0.170789785 0.174208484 0.176996234 0.178036181 0.190336515 0.198564874 0.205349460 0.213017032 0.214654650 0.223177838 0.230026768 0.241245651 0.252786299 0.275765924 0.298232553 0.303856729 0.319749704 0.356829512 0.377671284 0.417209635 0.465862772 0.490050446 0.543385356 0.549467132 0.612078614 0.613878102 0.661554811 0.715578107 0.734855864 0.741863464 0.754577705 0.765003036 0.778107448 0.780104751 0.785263491 0.787127559 0.795424315 0.818597782 0.819525864 0.841992625 0.848683784 0.856921048 0.859426514 0.880771737 0.894518417 0.917777598 0.921079061 0.921370993 0.930037328 0.975008599 0.987920281 1.023878231 1.029824681 1.089095860 1.440956894 1.530669374</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">118</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86776875" y3="-4.01671975" z3="10.95277548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90827733" y3="-4.3852664" z3="11.03453938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55650349" y3="-3.67559316" z3="11.95624792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.23119016" y3="-4.88051104" z3="10.68224349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.75121975" y3="-2.89543829" z3="9.92454171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.71296833" y3="-2.52742029" z3="9.88048074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.3699882" y3="-2.02423017" z3="10.19572245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15255611" y3="-3.34730709" z3="8.5223881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1556414" y3="-3.81300835" z3="8.55261557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42946619" y3="-4.09535641" z3="8.14686518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08876601" y3="-1.73456719" z3="7.14903354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20590075" y3="0.16116375" z3="5.73142418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23204361" y3="-0.26449923" z3="6.03517524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13717035" y3="1.25369663" z3="5.93266658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38598226" y3="-0.00426065" z3="4.21048618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57029196" y3="0.53187858" z3="3.68341135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32418113" y3="0.50099471" z3="3.90837651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44841503" y3="-1.45498462" z3="3.72108414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57860284" y3="-1.45183337" z3="2.61892377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35170534" y3="-1.92815665" z3="4.14656283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23844068" y3="-2.32308221" z3="4.08566877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39321208" y3="-3.33152863" z3="3.65603132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20863258" y3="-2.45493971" z3="5.18199379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09874517" y3="-1.77284487" z3="3.592133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35133743" y3="-0.82141338" z3="4.09245396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.9215874" y3="-2.48041394" z3="3.80053392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08375035" y3="-1.58297801" z3="2.50112419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02230301" y3="-2.33549191" z3="7.34123725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27816042" y3="-0.45839008" z3="6.58051687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31764437" y3="-0.1875567" z3="6.36528826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26566191" y3="-2.28032982" z3="7.62026674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.86490943" y3="0.64960419" z3="10.82386785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.03469905" y3="0.99070849" z3="11.86229929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61625741" y3="1.14322637" z3="10.17961198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.06493134" y3="-0.43664103" z3="10.78612796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55468273" y3="0.95316663" z3="10.35101138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.2899671" y3="0.46710018" z3="11.0154643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74514858" y3="2.04204246" z3="10.42581274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.8279357" y3="0.47226279" z3="8.92466069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59328073" y3="-0.60563631" z3="8.84894358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16130138" y3="0.98985765" z3="8.21049979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28913948" y3="0.70762716" z3="8.53482667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20542692" y3="0.34890736" z3="9.27411257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.4350027" y3="1.5875496" z3="7.8523216">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8678,-4.0167,10.9528;-3.9083,-4.3853,11.0345;-2.5565,-3.6756,11.9562;-2.2312,-4.8805,10.6822;-2.7512,-2.8954,9.9245;-1.713,-2.5274,9.8805;-3.37,-2.0242,10.1957;-3.1526,-3.3473,8.5224;-4.1556,-3.813,8.5526;-2.4295,-4.0954,8.1469;-2.0888,-1.7346,7.149;-1.2059,.1612,5.7314;-.232,-.2645,6.0352;-1.1372,1.2537,5.9327;-1.386,-.0043,4.2105;-.5703,.5319,3.6834;-2.3242,.501,3.9084;-1.4484,-1.455,3.7211;-1.5786,-1.4518,2.6189;-2.3517,-1.9282,4.1466;-.2384,-2.3231,4.0857;-.3932,-3.3315,3.656;-.2086,-2.4549,5.182;1.0987,-1.7728,3.5921;1.3513,-.8214,4.0925;1.9216,-2.4804,3.8005;1.0838,-1.583,2.5011;-1.0223,-2.3355,7.3412;-2.2782,-.4584,6.5805;-3.3176,-.1876,6.3653;-3.2657,-2.2803,7.6203;.8649,.6496,10.8239;1.0347,.9907,11.8623;1.6163,1.1432,10.1796;1.0649,-.4366,10.7861;-.5547,.9532,10.351;-1.29,.4671,11.0155;-.7451,2.042,10.4258;-.8279,.4723,8.9247;-.5933,-.6056,8.8489;-.1613,.9899,8.2105;-2.2891,.7076,8.5348;-3.2054,.3489,9.2741;-2.435,1.5875,7.8523;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605827482827</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000125064322 0.000031126081 0.004889962680 0.001862062868</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.003598148490 0.002398765660</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036482859 -0.000036447 0.000174858 0.000343789 0.000658314 0.000796932 0.001386662 0.001517515 0.002221937 0.002965672 0.003517892 0.004040145 0.005142755 0.005839218 0.006304306 0.006750968 0.009508964 0.009855867 0.011176727 0.011966151 0.014485602 0.015499906 0.019694896 0.021795676 0.024597356 0.027713334 0.028828484 0.031261855 0.032163975 0.036715341 0.038060693 0.039867584 0.041070016 0.042580185 0.046313915 0.049770858 0.051262358 0.051356901 0.052280125 0.052541287 0.053880055 0.056096412 0.057629243 0.059036176 0.064726118 0.067023750 0.073747963 0.075338706 0.077390796 0.078352054 0.079319644 0.081110975 0.082861007 0.087594700 0.088763032 0.091369430 0.102707687 0.107902931 0.108409418 0.112529484 0.113987021 0.114915222 0.127628711 0.133734950 0.135465656 0.138900113 0.146001920 0.151968829 0.158096850 0.161865312 0.170790174 0.174204838 0.176993640 0.178036309 0.190244178 0.198565824 0.205351321 0.213016129 0.214665079 0.223177671 0.230002442 0.241245458 0.252781514 0.275752864 0.298158706 0.303848110 0.319721037 0.356808979 0.377673205 0.417209842 0.465862752 0.490046810 0.543387124 0.549467353 0.612080109 0.613877609 0.661554538 0.715574334 0.734855512 0.741863773 0.754577660 0.765003151 0.778079115 0.780079702 0.785241355 0.787123546 0.795423961 0.818597724 0.819524253 0.841917026 0.848676660 0.856917524 0.859424213 0.880767998 0.894518275 0.917776847 0.921077662 0.921370560 0.929998703 0.975005430 0.987916705 1.023878227 1.029734672 1.089039509 1.440954474 1.530668574</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">119</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86504159" y3="-4.01384844" z3="10.95430988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90551087" y3="-4.38237377" z3="11.03643132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.55393909" y3="-3.671473" z3="11.9572587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.22834626" y3="-4.87790626" z3="10.68508238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74845558" y3="-2.89366295" z3="9.92472063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.70999191" y3="-2.52618848" z3="9.87986979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.36677823" y3="-2.0218162" z3="10.19502843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1505023" y3="-3.34689603" z3="8.52323391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15366704" y3="-3.81249622" z3="8.55452087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.42768447" y3="-4.09537562" z3="8.14801829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08748558" y3="-1.73484999" z3="7.14844405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.2049258" y3="0.16095188" z3="5.73086929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2311983" y3="-0.26522712" z3="6.03429074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13578277" y3="1.25334618" z3="5.9327654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38519727" y3="-0.0034217" z3="4.20981397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56897203" y3="0.53224751" z3="3.68305891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32291874" y3="0.50293447" z3="3.90796247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44906606" y3="-1.45378793" z3="3.71952557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57918281" y3="-1.44985178" z3="2.61731474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35290426" y3="-1.92628311" z3="4.14469261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23993804" y3="-2.32332923" z3="4.08365327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39589265" y3="-3.33150666" z3="3.65378731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20996443" y3="-2.45548615" z3="5.17996678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09772495" y3="-1.77440764" z3="3.58988576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35140663" y3="-0.8233053" z3="4.09029673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.91989474" y3="-2.4828744" z3="3.79796615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08264958" y3="-1.58434846" z3="2.49890053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0208383" y3="-2.33547693" z3="7.34050556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27723675" y3="-0.45881156" z3="6.57972655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31675027" y3="-0.18823638" z3="6.36438824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26412031" y3="-2.28076134" z3="7.62015985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.86128434" y3="0.6469706" z3="10.82724862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02980909" y3="0.98777491" z3="11.86597592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61396268" y3="1.14015329" z3="10.18418839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.06051678" y3="-0.43942512" z3="10.78955374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55733716" y3="0.95180859" z3="10.35234089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29410428" y3="0.46569103" z3="11.01529845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74716086" y3="2.04081133" z3="10.42760922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.82880482" y3="0.4718535" z3="8.92529223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59426249" y3="-0.60597131" z3="8.84950709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16111983" y3="0.98951098" z3="8.21219965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.28950651" y3="0.70770412" z3="8.53372627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20671309" y3="0.34959311" z3="9.27214615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43430983" y3="1.58743493" z3="7.85083753">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.865,-4.0138,10.9543;-3.9055,-4.3824,11.0364;-2.5539,-3.6715,11.9573;-2.2283,-4.8779,10.6851;-2.7485,-2.8937,9.9247;-1.71,-2.5262,9.8799;-3.3668,-2.0218,10.195;-3.1505,-3.3469,8.5232;-4.1537,-3.8125,8.5545;-2.4277,-4.0954,8.148;-2.0875,-1.7348,7.1484;-1.2049,.161,5.7309;-.2312,-.2652,6.0343;-1.1358,1.2533,5.9328;-1.3852,-.0034,4.2098;-.569,.5322,3.6831;-2.3229,.5029,3.908;-1.4491,-1.4538,3.7195;-1.5792,-1.4499,2.6173;-2.3529,-1.9263,4.1447;-.2399,-2.3233,4.0837;-.3959,-3.3315,3.6538;-.21,-2.4555,5.18;1.0977,-1.7744,3.5899;1.3514,-.8233,4.0903;1.9199,-2.4829,3.798;1.0826,-1.5843,2.4989;-1.0208,-2.3355,7.3405;-2.2772,-.4588,6.5797;-3.3168,-.1882,6.3644;-3.2641,-2.2808,7.6202;.8613,.647,10.8272;1.0298,.9878,11.866;1.614,1.1402,10.1842;1.0605,-.4394,10.7896;-.5573,.9518,10.3523;-1.2941,.4657,11.0153;-.7472,2.0408,10.4276;-.8288,.4719,8.9253;-.5943,-.606,8.8495;-.1611,.9895,8.2122;-2.2895,.7077,8.5337;-3.2067,.3496,9.2721;-2.4343,1.5874,7.8508;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605827902320</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000185515907 0.000035204968 0.009032808730 0.002685706456</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002425668005 0.001617112003</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036180696 0.000004704 0.000146434 0.000261903 0.000576627 0.000686867 0.001391737 0.001514663 0.002049088 0.002528461 0.003260137 0.003666512 0.004906740 0.005617925 0.006303397 0.006600253 0.009405936 0.009866844 0.010798685 0.011951725 0.014413092 0.015510309 0.019686833 0.021794129 0.024588335 0.027724319 0.028860745 0.031261146 0.032164822 0.036730485 0.037968755 0.039865716 0.041070690 0.042591607 0.046313130 0.049767957 0.051261809 0.051357598 0.052203561 0.052494012 0.053851097 0.056097269 0.057627771 0.059036216 0.064725629 0.067023411 0.073747019 0.075333581 0.077389624 0.078352799 0.079318812 0.081005441 0.082838710 0.087594307 0.088766091 0.091348066 0.102707874 0.107886791 0.108409798 0.112526979 0.113987678 0.114916427 0.127417770 0.133730946 0.135456847 0.138900106 0.146001965 0.151925433 0.158091472 0.161865088 0.170790348 0.174190560 0.176983021 0.178036309 0.189791314 0.198561637 0.205335931 0.213011355 0.214671321 0.223179024 0.229850460 0.241245086 0.252752341 0.275686644 0.297846092 0.303808952 0.319591026 0.356720400 0.377661705 0.417186717 0.465860585 0.490025795 0.543384754 0.549458362 0.612080746 0.613870973 0.661548024 0.715554197 0.734852463 0.741863465 0.754574694 0.765002672 0.777933282 0.779922029 0.785129369 0.787102009 0.795423239 0.818596812 0.819506520 0.841557453 0.848649379 0.856905439 0.859413029 0.880753694 0.894516669 0.917770755 0.921073943 0.921369462 0.929807549 0.974982607 0.987892687 1.023877078 1.029146006 1.088744656 1.440941885 1.530662227</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">120</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86216878" y3="-4.00869181" z3="10.95689184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90368709" y3="-4.37334096" z3="11.04354429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.54628275" y3="-3.66468411" z3="11.95815976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.2291668" y3="-4.87555669" z3="10.68755226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74501037" y3="-2.89162815" z3="9.92429972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.70549903" y3="-2.52801188" z3="9.87562666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.35964106" y3="-2.0171754" z3="10.19441105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15227843" y3="-3.3462674" z3="8.52472684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15617231" y3="-3.80970502" z3="8.55948083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43215334" y3="-4.09694552" z3="8.14864715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08958508" y3="-1.73615444" z3="7.14732693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20641298" y3="0.15998488" z3="5.73040502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23279192" y3="-0.26621233" z3="6.03418241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13749266" y3="1.25230263" z3="5.93286722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38580184" y3="-0.0036355" z3="4.20924929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.56998062" y3="0.53324948" z3="3.68318528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32392468" y3="0.5018443" z3="3.90738253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44775264" y3="-1.45380454" z3="3.71817732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57720942" y3="-1.44944009" z3="2.61598524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.35119568" y3="-1.92757133" z3="4.14254811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23794723" y3="-2.32210893" z3="4.08264567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.39206316" y3="-3.32999232" z3="3.65144702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20912935" y3="-2.45544948" z3="5.17879671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09958038" y3="-1.77086455" z3="3.59120492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35153046" y3="-0.82014409" z3="4.09320198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92233017" y3="-2.4785924" z3="3.79934857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08562786" y3="-1.57936356" z3="2.50048527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02309718" y3="-2.33740068" z3="7.338775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27909431" y3="-0.4602682" z3="6.5784066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3185277" y3="-0.18889427" z3="6.36371775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26617659" y3="-2.28132361" z3="7.62023114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85949099" y3="0.64166257" z3="10.82699728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02930271" y3="0.98457556" z3="11.86485643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61323224" y3="1.13121797" z3="10.18241037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.05577861" y3="-0.44535194" z3="10.79196942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.55850103" y3="0.94910639" z3="10.35189096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29600235" y3="0.46514496" z3="11.01521378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74621479" y3="2.03841345" z3="10.42630557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83058161" y3="0.4692616" z3="8.92499972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.5970092" y3="-0.60892858" z3="8.84857653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16238046" y3="0.98652147" z3="8.21195757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2908752" y3="0.70702725" z3="8.53335542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.20895587" y3="0.35018021" z3="9.27127459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43447169" y3="1.58640238" z3="7.84965485">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8622,-4.0087,10.9569;-3.9037,-4.3733,11.0435;-2.5463,-3.6647,11.9582;-2.2292,-4.8756,10.6876;-2.745,-2.8916,9.9243;-1.7055,-2.528,9.8756;-3.3596,-2.0172,10.1944;-3.1523,-3.3463,8.5247;-4.1562,-3.8097,8.5595;-2.4322,-4.0969,8.1486;-2.0896,-1.7362,7.1473;-1.2064,.16,5.7304;-.2328,-.2662,6.0342;-1.1375,1.2523,5.9329;-1.3858,-.0036,4.2092;-.57,.5332,3.6832;-2.3239,.5018,3.9074;-1.4478,-1.4538,3.7182;-1.5772,-1.4494,2.616;-2.3512,-1.9276,4.1425;-.2379,-2.3221,4.0826;-.3921,-3.33,3.6514;-.2091,-2.4554,5.1788;1.0996,-1.7709,3.5912;1.3515,-.8201,4.0932;1.9223,-2.4786,3.7993;1.0856,-1.5794,2.5005;-1.0231,-2.3374,7.3388;-2.2791,-.4603,6.5784;-3.3185,-.1889,6.3637;-3.2662,-2.2813,7.6202;.8595,.6417,10.827;1.0293,.9846,11.8649;1.6132,1.1312,10.1824;1.0558,-.4454,10.792;-.5585,.9491,10.3519;-1.296,.4651,11.0152;-.7462,2.0384,10.4263;-.8306,.4693,8.925;-.597,-.6089,8.8486;-.1624,.9865,8.212;-2.2909,.707,8.5334;-3.209,.3502,9.2713;-2.4345,1.5864,7.8497;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605829250001</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000308374352 0.000065874413 0.013069397713 0.003874983328</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036166817 0.000090362 0.000150575 0.000255851 0.000549493 0.000686301 0.001398938 0.001521297 0.002026497 0.002503347 0.003270188 0.003667443 0.004902437 0.005616152 0.006303869 0.006597561 0.009414300 0.009867916 0.010788228 0.011951934 0.014412198 0.015514204 0.019686556 0.021793757 0.024588139 0.027730882 0.028885749 0.031261551 0.032164865 0.036736749 0.037966088 0.039866453 0.041070881 0.042602151 0.046313087 0.049767887 0.051261890 0.051357914 0.052201478 0.052493357 0.053863343 0.056098879 0.057628023 0.059036548 0.064724922 0.067024230 0.073747014 0.075333450 0.077389667 0.078353813 0.079318697 0.081004877 0.082842533 0.087594228 0.088767703 0.091346881 0.102708017 0.107886449 0.108410065 0.112527166 0.113987953 0.114917738 0.127411805 0.133731211 0.135454774 0.138900339 0.146006745 0.151924264 0.158091865 0.161865352 0.170791178 0.174189423 0.176982551 0.178036868 0.189779737 0.198561920 0.205337684 0.213011440 0.214687405 0.223179633 0.229848381 0.241245277 0.252750895 0.275682371 0.297827684 0.303807516 0.319588661 0.356717614 0.377666857 0.417188192 0.465862006 0.490027653 0.543401154 0.549462960 0.612104816 0.613870761 0.661551227 0.715566403 0.734852862 0.741867356 0.754580198 0.765004540 0.777962262 0.779921669 0.785127281 0.787102349 0.795423354 0.818597441 0.819506722 0.841554889 0.848648836 0.856907653 0.859412907 0.880753841 0.894517428 0.917771058 0.921080852 0.921369848 0.929816437 0.974984354 0.987901934 1.023877334 1.029152459 1.088746059 1.440943866 1.530669142</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">121</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8600164" y3="-4.00282092" z3="10.96059347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90342404" y3="-4.36027157" z3="11.05302342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53746466" y3="-3.65823175" z3="11.9590427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.23391881" y3="-4.87452679" z3="10.69138538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.74001" y3="-2.88881939" z3="9.92449302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.69817165" y3="-2.53214078" z3="9.87086678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.34823635" y3="-2.00957168" z3="10.19423357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15524329" y3="-3.34450142" z3="8.52764147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.16095768" y3="-3.80410782" z3="8.56797286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43972043" y3="-4.09877042" z3="8.14971747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09333701" y3="-1.73743501" z3="7.14575185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20972109" y3="0.15899591" z3="5.72920014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23604744" y3="-0.26654512" z3="6.03365558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.14157484" y3="1.25136755" z3="5.931659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38757317" y3="-0.00474454" z3="4.2078714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.572551" y3="0.53425631" z3="3.68264864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32670061" y3="0.49854997" z3="3.90525793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44534087" y3="-1.45493998" z3="3.71634476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57351577" y3="-1.45059073" z3="2.61392965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34815496" y3="-1.93112958" z3="4.13955243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23361754" y3="-2.32022277" z3="4.08203733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38418423" y3="-3.32820116" z3="3.64973452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20640102" y3="-2.45434649" z3="5.17817211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10319818" y3="-1.76486041" z3="3.59318136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35174128" y3="-0.81385747" z3="4.0964037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92759436" y3="-2.47054743" z3="3.80199942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.09049811" y3="-1.57241031" z3="2.50258977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0271432" y3="-2.3398155" z3="7.33525212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28246735" y3="-0.46147775" z3="6.5769064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.3218156" y3="-0.18892272" z3="6.36345804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26957767" y3="-2.28097579" z3="7.62149133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85831894" y3="0.63481212" z3="10.82563967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02984958" y3="0.97898576" z3="11.8627562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.61221459" y3="1.12222874" z3="10.17953699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.05265593" y3="-0.45260965" z3="10.79169606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.5593949" y3="0.94456033" z3="10.35121563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.29778469" y3="0.46061431" z3="11.0142202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74549592" y3="2.03424906" z3="10.4267546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83247579" y3="0.46600679" z3="8.9239634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.6005786" y3="-0.61226931" z3="8.8476097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16352237" y3="0.98214246" z3="8.21100389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29244089" y3="0.70612745" z3="8.53255843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21090702" y3="0.35073581" z3="9.27057617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43494591" y3="1.58541899" z3="7.84877429">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.86,-4.0028,10.9606;-3.9034,-4.3603,11.053;-2.5375,-3.6582,11.959;-2.2339,-4.8745,10.6914;-2.74,-2.8888,9.9245;-1.6982,-2.5321,9.8709;-3.3482,-2.0096,10.1942;-3.1552,-3.3445,8.5276;-4.161,-3.8041,8.568;-2.4397,-4.0988,8.1497;-2.0933,-1.7374,7.1458;-1.2097,.159,5.7292;-.236,-.2665,6.0337;-1.1416,1.2514,5.9317;-1.3876,-.0047,4.2079;-.5726,.5343,3.6826;-2.3267,.4985,3.9053;-1.4453,-1.4549,3.7163;-1.5735,-1.4506,2.6139;-2.3482,-1.9311,4.1396;-.2336,-2.3202,4.082;-.3842,-3.3282,3.6497;-.2064,-2.4543,5.1782;1.1032,-1.7649,3.5932;1.3517,-.8139,4.0964;1.9276,-2.4705,3.802;1.0905,-1.5724,2.5026;-1.0271,-2.3398,7.3353;-2.2825,-.4615,6.5769;-3.3218,-.1889,6.3635;-3.2696,-2.281,7.6215;.8583,.6348,10.8256;1.0298,.979,11.8628;1.6122,1.1222,10.1795;1.0527,-.4526,10.7917;-.5594,.9446,10.3512;-1.2978,.4606,11.0142;-.7455,2.0342,10.4268;-.8325,.466,8.924;-.6006,-.6123,8.8476;-.1635,.9821,8.211;-2.2924,.7061,8.5326;-3.2109,.3507,9.2706;-2.4349,1.5854,7.8488;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605830098779</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000293434188 0.000070059871 0.011756316087 0.003185064401</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001533563634 0.001022375756</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036164972 0.000109361 0.000148018 0.000254702 0.000550226 0.000687131 0.001399002 0.001521796 0.002022589 0.002496016 0.003263003 0.003668171 0.004900946 0.005618885 0.006304056 0.006597424 0.009416108 0.009869626 0.010788298 0.011952256 0.014411690 0.015515202 0.019686459 0.021792978 0.024588238 0.027733952 0.028892329 0.031261814 0.032164973 0.036747416 0.037965903 0.039866673 0.041071867 0.042613728 0.046313193 0.049767865 0.051261976 0.051358006 0.052201016 0.052493318 0.053874415 0.056099680 0.057628497 0.059036172 0.064723764 0.067024053 0.073747018 0.075333684 0.077390055 0.078354344 0.079318331 0.081007517 0.082846768 0.087594090 0.088767827 0.091344506 0.102708030 0.107887448 0.108410116 0.112528106 0.113988096 0.114918098 0.127408874 0.133731496 0.135451048 0.138900283 0.146007703 0.151925354 0.158091809 0.161865291 0.170791658 0.174188348 0.176982083 0.178036891 0.189776738 0.198561941 0.205340574 0.213011594 0.214695393 0.223179760 0.229849919 0.241245083 0.252751474 0.275675672 0.297810063 0.303805780 0.319586397 0.356713657 0.377668038 0.417187834 0.465861954 0.490028826 0.543407691 0.549464158 0.612117392 0.613870476 0.661551979 0.715568641 0.734852876 0.741867698 0.754581402 0.765004950 0.777982784 0.779920427 0.785127057 0.787102290 0.795423520 0.818597750 0.819506708 0.841570013 0.848650420 0.856907990 0.859413662 0.880756040 0.894517467 0.917771216 0.921085345 0.921371493 0.929821999 0.974984622 0.987901287 1.023878015 1.029148853 1.088747025 1.440943781 1.530669447</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">122</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.856907" y3="-3.99567411" z3="10.96414176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.901704" y3="-4.34851525" z3="11.05998242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53057515" y3="-3.64870676" z3="11.96097269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.23479058" y3="-4.87090956" z3="10.69645174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.73429434" y3="-2.88607505" z3="9.92400782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.69123268" y3="-2.53392834" z3="9.8675332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.33852148" y3="-2.00361804" z3="10.19187101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15357904" y3="-3.34433513" z3="8.52913307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15973813" y3="-3.80208218" z3="8.57275786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.44032192" y3="-4.1007925" z3="8.15132147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09251758" y3="-1.73898491" z3="7.1444049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20964893" y3="0.15812373" z3="5.72826383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23592562" y3="-0.26758854" z3="6.03237503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.1416081" y3="1.25033547" z3="5.93169613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38765277" y3="-0.00426335" z3="4.20687039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57285439" y3="0.53528611" z3="3.6819483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3268749" y3="0.49913596" z3="3.90494105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44531795" y3="-1.45405569" z3="3.71426435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57350104" y3="-1.4488743" z3="2.61189776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34800275" y3="-1.93064676" z3="4.13715337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23355431" y3="-2.31944856" z3="4.0793302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38380352" y3="-3.32694017" z3="3.64587926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20652662" y3="-2.45477163" z3="5.175319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10321792" y3="-1.76317196" z3="3.59144911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35170789" y3="-0.813047" z3="4.09627711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92764587" y3="-2.46907931" z3="3.79905006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.09045408" y3="-1.56885131" z3="2.50121959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02610272" y3="-2.34113319" z3="7.33370878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28230622" y3="-0.46332968" z3="6.57530463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32176085" y3="-0.1909537" z3="6.36223342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26844968" y3="-2.28270908" z3="7.62078098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85353625" y3="0.62859972" z3="10.82894239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.0244742" y3="0.9733415" z3="11.86598581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60979691" y3="1.11301006" z3="10.18343136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.04471983" y3="-0.45941393" z3="10.79666748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56268858" y3="0.9416795" z3="10.35226452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30279612" y3="0.46021139" z3="11.01455189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74637215" y3="2.03166319" z3="10.42684825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83457386" y3="0.46364214" z3="8.92472942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.6033453" y3="-0.61494595" z3="8.84759581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16430719" y3="0.97969581" z3="8.21273155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.2936827" y3="0.7055569" z3="8.53150268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21385842" y3="0.35170921" z3="9.26809623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43421814" y3="1.58424256" z3="7.84648518">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8569,-3.9957,10.9641;-3.9017,-4.3485,11.06;-2.5306,-3.6487,11.961;-2.2348,-4.8709,10.6965;-2.7343,-2.8861,9.924;-1.6912,-2.5339,9.8675;-3.3385,-2.0036,10.1919;-3.1536,-3.3443,8.5291;-4.1597,-3.8021,8.5728;-2.4403,-4.1008,8.1513;-2.0925,-1.739,7.1444;-1.2096,.1581,5.7283;-.2359,-.2676,6.0324;-1.1416,1.2503,5.9317;-1.3877,-.0043,4.2069;-.5729,.5353,3.6819;-2.3269,.4991,3.9049;-1.4453,-1.4541,3.7143;-1.5735,-1.4489,2.6119;-2.348,-1.9306,4.1372;-.2336,-2.3194,4.0793;-.3838,-3.3269,3.6459;-.2065,-2.4548,5.1753;1.1032,-1.7632,3.5914;1.3517,-.813,4.0963;1.9276,-2.4691,3.7991;1.0905,-1.5689,2.5012;-1.0261,-2.3411,7.3337;-2.2823,-.4633,6.5753;-3.3218,-.191,6.3622;-3.2684,-2.2827,7.6208;.8535,.6286,10.8289;1.0245,.9733,11.866;1.6098,1.113,10.1834;1.0447,-.4594,10.7967;-.5627,.9417,10.3523;-1.3028,.4602,11.0146;-.7464,2.0317,10.4268;-.8346,.4636,8.9247;-.6033,-.6149,8.8476;-.1643,.9797,8.2127;-2.2937,.7056,8.5315;-3.2139,.3517,9.2681;-2.4342,1.5842,7.8465;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605830377705</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000218373426 0.000054226547 0.005496507637 0.001817214056</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002060690293 0.001373793529</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036164502 0.000047398 0.000169824 0.000263288 0.000552907 0.000688504 0.001400856 0.001522324 0.002022047 0.002497149 0.003285700 0.003669362 0.004901591 0.005621016 0.006304089 0.006598798 0.009422276 0.009869191 0.010789401 0.011952248 0.014411828 0.015516940 0.019686519 0.021792444 0.024588341 0.027739448 0.028906815 0.031262808 0.032165021 0.036747867 0.037966254 0.039866694 0.041072361 0.042622726 0.046313311 0.049767834 0.051261635 0.051358123 0.052201969 0.052494220 0.053882851 0.056099927 0.057628757 0.059035894 0.064723326 0.067024453 0.073747097 0.075333655 0.077389957 0.078354786 0.079318208 0.081004688 0.082847956 0.087594050 0.088767931 0.091344169 0.102708097 0.107887277 0.108410105 0.112528257 0.113988150 0.114918298 0.127407674 0.133731334 0.135448623 0.138900369 0.146011055 0.151925151 0.158091854 0.161865157 0.170791852 0.174186794 0.176982071 0.178036893 0.189776355 0.198563249 0.205342493 0.213011630 0.214701821 0.223179839 0.229852465 0.241245598 0.252749180 0.275673311 0.297792417 0.303805190 0.319584084 0.356712566 0.377671044 0.417187662 0.465865403 0.490034713 0.543412224 0.549467040 0.612136560 0.613870284 0.661556494 0.715579659 0.734853432 0.741869112 0.754583174 0.765005485 0.777999464 0.779920790 0.785127217 0.787102896 0.795423750 0.818597898 0.819506751 0.841573107 0.848650751 0.856908039 0.859413763 0.880756349 0.894517673 0.917771260 0.921086763 0.921372110 0.929823635 0.974984967 0.987905389 1.023878081 1.029146980 1.088754165 1.440943953 1.530669517</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">123</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85555807" y3="-3.99314447" z3="10.96603703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90011129" y3="-4.34624156" z3="11.06112538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53054063" y3="-3.64529369" z3="11.96259168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.23303207" y3="-4.86836204" z3="10.70013965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.7322921" y3="-2.88433614" z3="9.92492685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.68910948" y3="-2.53237609" z3="9.86880736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.33654697" y3="-2.00148041" z3="10.19146853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15110617" y3="-3.34383107" z3="8.53034553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15724191" y3="-3.80181802" z3="8.57446486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43762316" y3="-4.10035534" z3="8.15316407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.09090893" y3="-1.73909436" z3="7.14416233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20863144" y3="0.15793394" z3="5.7275951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2349271" y3="-0.26814912" z3="6.03124712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.14019978" y3="1.25006474" z3="5.93134368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38720671" y3="-0.00382627" z3="4.2061732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57220855" y3="0.53542664" z3="3.68120103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32622973" y3="0.5002709" z3="3.90464549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44594293" y3="-1.453401" z3="3.71303697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57474321" y3="-1.44776655" z3="2.6107355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34867747" y3="-1.92964877" z3="4.13624913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23443111" y3="-2.31957957" z3="4.07709866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38564429" y3="-3.32699014" z3="3.64375714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20655918" y3="-2.45493351" z3="5.1730519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10228818" y3="-1.76415418" z3="3.58811261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35157869" y3="-0.81399348" z3="4.09251044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.9265216" y3="-2.4704918" z3="3.79534861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08887569" y3="-1.57014146" z3="2.49780399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02424236" y3="-2.34079543" z3="7.33330579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28115879" y3="-0.4635434" z3="6.5748347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32069874" y3="-0.19161855" z3="6.3615662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26652727" y3="-2.28304255" z3="7.62107399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85023072" y3="0.62584664" z3="10.83224845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01945368" y3="0.96875885" z3="11.87014618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60772718" y3="1.11130043" z3="10.18892786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.04126486" y3="-0.46214414" z3="10.79831208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56506771" y3="0.94014603" z3="10.35356345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30673834" y3="0.45764707" z3="11.01380971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74845772" y3="2.03021273" z3="10.42958166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83495187" y3="0.46383877" z3="8.92499018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.6034575" y3="-0.61448637" z3="8.84752621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16386558" y3="0.98036019" z3="8.21424975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29368179" y3="0.70580386" z3="8.53012229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21456405" y3="0.35244392" z3="9.26609829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43341842" y3="1.58437208" z3="7.8448722">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8556,-3.9931,10.966;-3.9001,-4.3462,11.0611;-2.5305,-3.6453,11.9626;-2.233,-4.8684,10.7001;-2.7323,-2.8843,9.9249;-1.6891,-2.5324,9.8688;-3.3365,-2.0015,10.1915;-3.1511,-3.3438,8.5303;-4.1572,-3.8018,8.5745;-2.4376,-4.1004,8.1532;-2.0909,-1.7391,7.1442;-1.2086,.1579,5.7276;-.2349,-.2681,6.0312;-1.1402,1.2501,5.9313;-1.3872,-.0038,4.2062;-.5722,.5354,3.6812;-2.3262,.5003,3.9046;-1.4459,-1.4534,3.713;-1.5747,-1.4478,2.6107;-2.3487,-1.9296,4.1362;-.2344,-2.3196,4.0771;-.3856,-3.327,3.6438;-.2066,-2.4549,5.1731;1.1023,-1.7642,3.5881;1.3516,-.814,4.0925;1.9265,-2.4705,3.7953;1.0889,-1.5701,2.4978;-1.0242,-2.3408,7.3333;-2.2812,-.4635,6.5748;-3.3207,-.1916,6.3616;-3.2665,-2.283,7.6211;.8502,.6258,10.8322;1.0195,.9688,11.8701;1.6077,1.1113,10.1889;1.0413,-.4621,10.7983;-.5651,.9401,10.3536;-1.3067,.4576,11.0138;-.7485,2.0302,10.4296;-.835,.4638,8.925;-.6035,-.6145,8.8475;-.1639,.9804,8.2142;-2.2937,.7058,8.5301;-3.2146,.3524,9.2661;-2.4334,1.5844,7.8449;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605830549831</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000179238160 0.000044673944 0.008758785372 0.002632498371</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002510626092 0.001673750728</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036163257 -0.000052087 0.000178243 0.000279941 0.000552590 0.000686822 0.001398033 0.001519058 0.002028921 0.002497286 0.003262277 0.003669044 0.004902472 0.005631230 0.006304068 0.006599719 0.009398747 0.009867288 0.010797313 0.011951940 0.014411425 0.015518033 0.019686656 0.021791727 0.024588746 0.027748359 0.028923359 0.031265587 0.032165327 0.036764967 0.037968382 0.039866448 0.041076049 0.042664549 0.046313958 0.049767805 0.051265163 0.051360714 0.052212171 0.052501402 0.053950401 0.056099950 0.057630158 0.059036128 0.064723186 0.067023899 0.073747145 0.075334048 0.077390617 0.078356357 0.079318435 0.081016765 0.082859917 0.087594084 0.088770233 0.091345106 0.102708523 0.107888118 0.108410286 0.112529972 0.113988314 0.114918801 0.127408019 0.133733474 0.135448458 0.138900745 0.146017278 0.151925826 0.158091815 0.161865986 0.170792067 0.174186358 0.176982249 0.178036940 0.189779842 0.198563351 0.205351389 0.213011542 0.214713568 0.223183317 0.229852294 0.241245071 0.252750955 0.275674156 0.297781209 0.303805759 0.319584313 0.356714509 0.377675467 0.417187831 0.465869711 0.490047152 0.543431826 0.549470629 0.612184022 0.613870146 0.661562325 0.715601781 0.734854983 0.741869615 0.754586436 0.765006329 0.778058840 0.779922135 0.785134540 0.787103034 0.795425541 0.818598054 0.819506678 0.841606002 0.848655641 0.856909388 0.859414323 0.880763597 0.894517679 0.917771892 0.921097270 0.921374810 0.929858680 0.974985960 0.987908512 1.023883990 1.029152422 1.088754307 1.440943915 1.530669746</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">124</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85381052" y3="-3.98864136" z3="10.96821635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.89999312" y3="-4.33748277" z3="11.06483918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.52638538" y3="-3.63983108" z3="11.96408906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.23484699" y3="-4.86707788" z3="10.70323048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.72714145" y3="-2.88270015" z3="9.92474694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.68278976" y3="-2.53434271" z3="9.86744924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.32846137" y3="-1.99738671" z3="10.1897777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14811625" y3="-3.34372699" z3="8.53122151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15460819" y3="-3.80039191" z3="8.57728947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43614835" y3="-4.10179474" z3="8.154136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08835915" y3="-1.73967137" z3="7.14369107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20738635" y3="0.15780449" z3="5.72687379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23349654" y3="-0.26827049" z3="6.02994431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13905914" y3="1.24983802" z3="5.93117765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38673814" y3="-0.003151" z3="4.20545496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57168029" y3="0.53580822" z3="3.68031445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32556909" y3="0.50168768" z3="3.90464698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44675559" y3="-1.45246409" z3="3.71172051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57602573" y3="-1.44627175" z3="2.60944553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34967031" y3="-1.9282043" z3="4.13515651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23568465" y3="-2.31967839" z3="4.074854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38813979" y3="-3.32696836" z3="3.64169479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20691849" y3="-2.45501775" z3="5.17082181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10102401" y3="-1.76534691" z3="3.58455734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35173684" y3="-0.81549255" z3="4.08880129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92485819" y3="-2.47237874" z3="3.79067821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08648282" y3="-1.57113115" z3="2.49433739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02136088" y3="-2.34071081" z3="7.33311975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27949544" y3="-0.46435954" z3="6.5740941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31922385" y3="-0.1934386" z3="6.36055026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26367333" y3="-2.28409494" z3="7.62061822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84537415" y3="0.62238069" z3="10.83652226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01221689" y3="0.96287246" z3="11.87565257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60479845" y3="1.10860557" z3="10.19612687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.03568851" y3="-0.46568374" z3="10.80083868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56864801" y3="0.93831285" z3="10.35532152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.31162564" y3="0.45598789" z3="11.01375901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.75151007" y3="2.02828511" z3="10.43199509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83601745" y3="0.46378912" z3="8.92574533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60374112" y3="-0.61441184" z3="8.84684601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16403425" y3="0.98177933" z3="8.21672038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29421473" y3="0.70567714" z3="8.52876216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21618962" y3="0.35276915" z3="9.26361543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43302263" y3="1.58391225" z3="7.84291866">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8538,-3.9886,10.9682;-3.9,-4.3375,11.0648;-2.5264,-3.6398,11.9641;-2.2348,-4.8671,10.7032;-2.7271,-2.8827,9.9247;-1.6828,-2.5343,9.8674;-3.3285,-1.9974,10.1898;-3.1481,-3.3437,8.5312;-4.1546,-3.8004,8.5773;-2.4361,-4.1018,8.1541;-2.0884,-1.7397,7.1437;-1.2074,.1578,5.7269;-.2335,-.2683,6.0299;-1.1391,1.2498,5.9312;-1.3867,-.0032,4.2055;-.5717,.5358,3.6803;-2.3256,.5017,3.9046;-1.4468,-1.4525,3.7117;-1.576,-1.4463,2.6094;-2.3497,-1.9282,4.1352;-.2357,-2.3197,4.0749;-.3881,-3.327,3.6417;-.2069,-2.455,5.1708;1.101,-1.7653,3.5846;1.3517,-.8155,4.0888;1.9249,-2.4724,3.7907;1.0865,-1.5711,2.4943;-1.0214,-2.3407,7.3331;-2.2795,-.4644,6.5741;-3.3192,-.1934,6.3606;-3.2637,-2.2841,7.6206;.8454,.6224,10.8365;1.0122,.9629,11.8757;1.6048,1.1086,10.1961;1.0357,-.4657,10.8008;-.5686,.9383,10.3553;-1.3116,.456,11.0138;-.7515,2.0283,10.432;-.836,.4638,8.9257;-.6037,-.6144,8.8468;-.164,.9818,8.2167;-2.2942,.7057,8.5288;-3.2162,.3528,9.2636;-2.433,1.5839,7.8429;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605830310426</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000270637007 0.000066868012 0.012004238178 0.003769313996</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001662743777 0.001108495851</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036158954 0.000027326 0.000187626 0.000306148 0.000551230 0.000685851 0.001392677 0.001517216 0.002027638 0.002497820 0.003267380 0.003668797 0.004902844 0.005634723 0.006304007 0.006601958 0.009388637 0.009866117 0.010802616 0.011951515 0.014411322 0.015518339 0.019687231 0.021791041 0.024589224 0.027754799 0.028932483 0.031267216 0.032165545 0.036767661 0.037969284 0.039866646 0.041077559 0.042681342 0.046314546 0.049767758 0.051265927 0.051361360 0.052213944 0.052503619 0.053978348 0.056099928 0.057630447 0.059036282 0.064722640 0.067024122 0.073747238 0.075334249 0.077390805 0.078357058 0.079318418 0.081015124 0.082863347 0.087594105 0.088772325 0.091346067 0.102708624 0.107887752 0.108410327 0.112530468 0.113988338 0.114918877 0.127407702 0.133734065 0.135446688 0.138901153 0.146021450 0.151925751 0.158091818 0.161866220 0.170791964 0.174184921 0.176982645 0.178037146 0.189776679 0.198565091 0.205355620 0.213011424 0.214720003 0.223186043 0.229852470 0.241244914 0.252750330 0.275673326 0.297769380 0.303805446 0.319581945 0.356715861 0.377678424 0.417187804 0.465878648 0.490068474 0.543438472 0.549478909 0.612235852 0.613870423 0.661575470 0.715630202 0.734857313 0.741870857 0.754588878 0.765006789 0.778113190 0.779921518 0.785144942 0.787103234 0.795426945 0.818598068 0.819507046 0.841654519 0.848661141 0.856910114 0.859415589 0.880768609 0.894517752 0.917772170 0.921100087 0.921376763 0.929869873 0.974986406 0.987913541 1.023889597 1.029149706 1.088754398 1.440944119 1.530669591</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">125</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85682123" y3="-3.99628522" z3="10.96389456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90163506" y3="-4.34948701" z3="11.05847221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53163837" y3="-3.64965994" z3="11.96112462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.23424703" y3="-4.87133353" z3="10.69655548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.73359252" y3="-2.88627184" z3="9.92423635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.69053662" y3="-2.53376048" z3="9.8687617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.33833094" y3="-2.00405809" z3="10.19181097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15173326" y3="-3.34442403" z3="8.52899529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15780469" y3="-3.80250313" z3="8.57207868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43802268" y3="-4.10060178" z3="8.15143676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.0907146" y3="-1.73863835" z3="7.14469511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20829452" y3="0.15839622" z3="5.72822788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.23456974" y3="-0.26756022" z3="6.03197674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13996682" y3="1.25056073" z3="5.93180336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38684067" y3="-0.00367874" z3="4.20682307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57159364" y3="0.53509002" z3="3.68176279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32562271" y3="0.50073445" z3="3.90512261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.4462067" y3="-1.45335267" z3="3.71404323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57479192" y3="-1.44791764" z3="2.61169107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34928288" y3="-1.9290193" z3="4.1372114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23520052" y3="-2.32009036" z3="4.07853472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.3870273" y3="-3.3276036" z3="3.6456659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.20738268" y3="-2.45496797" z3="5.17456772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.1018221" y3="-1.76567098" z3="3.58923976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35174652" y3="-0.81545472" z3="4.09320038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92563291" y3="-2.4723787" z3="3.79667515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08839761" y3="-1.57210817" z3="2.49887907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02413877" y3="-2.34035689" z3="7.33432714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.28082271" y3="-0.4630345" z3="6.57546534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.32034143" y3="-0.19124716" z3="6.36195428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26657472" y3="-2.28272511" z3="7.62075325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.85202914" y3="0.62961155" z3="10.83106188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.02147085" y3="0.97280757" z3="11.86885891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60864103" y3="1.11570603" z3="10.18724331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.04415416" y3="-0.45818756" z3="10.79722429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.5639005" y3="0.94223329" z3="10.35326891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.3044122" y3="0.45978143" z3="11.0145416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74826492" y3="2.03209942" z3="10.42851472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83438407" y3="0.46478844" z3="8.92522266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60248531" y3="-0.61357478" z3="8.84802285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16391717" y3="0.98141643" z3="8.21386891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29341431" y3="0.70587794" z3="8.53107529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21370828" y3="0.35168969" z3="9.26736592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43403458" y3="1.58454659" z3="7.84611698">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8568,-3.9963,10.9639;-3.9016,-4.3495,11.0585;-2.5316,-3.6497,11.9611;-2.2342,-4.8713,10.6966;-2.7336,-2.8863,9.9242;-1.6905,-2.5338,9.8688;-3.3383,-2.0041,10.1918;-3.1517,-3.3444,8.529;-4.1578,-3.8025,8.5721;-2.438,-4.1006,8.1514;-2.0907,-1.7386,7.1447;-1.2083,.1584,5.7282;-.2346,-.2676,6.032;-1.14,1.2506,5.9318;-1.3868,-.0037,4.2068;-.5716,.5351,3.6818;-2.3256,.5007,3.9051;-1.4462,-1.4534,3.714;-1.5748,-1.4479,2.6117;-2.3493,-1.929,4.1372;-.2352,-2.3201,4.0785;-.387,-3.3276,3.6457;-.2074,-2.455,5.1746;1.1018,-1.7657,3.5892;1.3517,-.8155,4.0932;1.9256,-2.4724,3.7967;1.0884,-1.5721,2.4989;-1.0241,-2.3404,7.3343;-2.2808,-.463,6.5755;-3.3203,-.1912,6.362;-3.2666,-2.2827,7.6208;.852,.6296,10.8311;1.0215,.9728,11.8689;1.6086,1.1157,10.1872;1.0442,-.4582,10.7972;-.5639,.9422,10.3533;-1.3044,.4598,11.0145;-.7483,2.0321,10.4285;-.8344,.4648,8.9252;-.6025,-.6136,8.848;-.1639,.9814,8.2139;-2.2934,.7059,8.5311;-3.2137,.3517,9.2674;-2.434,1.5845,7.8461;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605830674283</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000204448891 0.000040831734 0.004900423973 0.001584721433</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002201039084 0.001467359389</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.036148116 0.000132454 0.000192962 0.000293789 0.000549773 0.000681068 0.001378863 0.001504887 0.002020671 0.002500957 0.003194070 0.003670940 0.004902758 0.005644251 0.006303933 0.006601345 0.009317356 0.009859836 0.010802546 0.011949457 0.014411406 0.015519693 0.019686501 0.021791935 0.024589513 0.027761855 0.028945838 0.031270056 0.032165670 0.036773185 0.037971098 0.039864918 0.041080200 0.042720491 0.046315344 0.049767690 0.051270938 0.051363855 0.052223560 0.052511376 0.054053222 0.056099987 0.057631533 0.059036955 0.064721116 0.067022567 0.073747167 0.075334591 0.077391611 0.078358428 0.079318869 0.081014130 0.082874705 0.087593909 0.088773011 0.091353314 0.102708944 0.107885438 0.108410556 0.112531554 0.113988509 0.114919421 0.127407520 0.133736247 0.135448980 0.138901281 0.146027844 0.151924125 0.158091703 0.161866966 0.170792303 0.174185601 0.176982964 0.178037494 0.189767250 0.198562510 0.205364703 0.213011568 0.214733322 0.223188325 0.229848958 0.241243272 0.252754952 0.275675139 0.297741878 0.303807334 0.319587077 0.356721711 0.377683419 0.417188582 0.465882324 0.490083339 0.543455557 0.549481300 0.612293527 0.613868006 0.661585104 0.715666886 0.734860905 0.741869732 0.754592185 0.765007614 0.778190072 0.779928422 0.785160391 0.787102824 0.795428783 0.818598474 0.819507569 0.841698558 0.848666459 0.856910486 0.859416566 0.880775127 0.894516851 0.917772488 0.921106845 0.921379492 0.929894951 0.974987490 0.987918796 1.023896615 1.029156680 1.088745968 1.440945789 1.530671323</array>
            </module>
            <module dictRef="cc:irc" id="irc">
               <module id="irc-center">
                  <molecule cmlx:templateRef="atom" id="irc-center.0">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85680586" y3="-3.99464926" z3="10.96529556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90098997" y3="-4.34946079" z3="11.05806868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.53427493" y3="-3.64710532" z3="11.96288053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.23252228" y3="-4.86869288" z3="10.69967235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.73336166" y3="-2.88505698" z3="9.92521333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.6907812" y3="-2.53118724" z3="9.87117108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-3.3395234" y3="-2.00349635" z3="10.1914173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14915879" y3="-3.3443783" z3="8.52963824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15469289" y3="-3.80363846" z3="8.57182888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.43409485" y3="-4.09971995" z3="8.15326553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.08877847" y3="-1.73860687" z3="7.14486426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.20707744" y3="0.15830099" z3="5.72787268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.2333149" y3="-0.26796726" z3="6.03110599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.13838222" y3="1.25041748" z3="5.93157857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-1.38655145" y3="-0.00344431" z3="4.20655072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-0.57136799" y3="0.53500633" z3="3.68106933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32526544" y3="0.50148242" z3="3.90551272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.44700381" y3="-1.4530045" z3="3.71357527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57660298" y3="-1.44734945" z3="2.61137602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-2.34987699" y3="-1.92834539" z3="4.13748382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2360743" y3="-2.32032597" z3="4.07677519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.38887185" y3="-3.32775708" z3="3.64405023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-0.2071217" y3="-2.45523736" z3="5.17276138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10072532" y3="-1.76656361" z3="3.5860699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.35163526" y3="-0.81645466" z3="4.08974858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.92441713" y3="-2.47366929" z3="3.79266648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="1.08626217" y3="-1.57303516" z3="2.49569871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02189848" y3="-2.33965747" z3="7.33478321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-2.27940359" y3="-0.46311722" z3="6.57543965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-3.31903966" y3="-0.1919843" z3="6.36155427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.26442067" y3="-2.28324881" z3="7.62076549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.84988146" y3="0.62792347" z3="10.83351656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="1.01751512" y3="0.96862188" z3="11.87243255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.60743463" y3="1.11586784" z3="10.19214373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="1.04242033" y3="-0.45973088" z3="10.7973363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.56544028" y3="0.94116249" z3="10.35425243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-1.30685757" y3="0.45767714" z3="11.01383996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-0.74998924" y3="2.03093593" z3="10.43083274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.83417202" y3="0.46543842" z3="8.92531841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60154401" y3="-0.61268187" z3="8.8472138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="-0.16331307" y3="0.98316559" z3="8.21517182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-2.29303144" y3="0.70611761" z3="8.52995042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-3.21380935" y3="0.35210261" z3="9.2658238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-2.43323845" y3="1.5847341" z3="7.84478634">
                           <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 a8" 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 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 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 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:-2.8568,-3.9946,10.9653;-3.901,-4.3495,11.0581;-2.5343,-3.6471,11.9629;-2.2325,-4.8687,10.6997;-2.7334,-2.8851,9.9252;-1.6908,-2.5312,9.8712;-3.3395,-2.0035,10.1914;-3.1492,-3.3444,8.5296;-4.1547,-3.8036,8.5718;-2.4341,-4.0997,8.1533;-2.0888,-1.7386,7.1449;-1.2071,.1583,5.7279;-.2333,-.268,6.0311;-1.1384,1.2504,5.9316;-1.3866,-.0034,4.2066;-.5714,.535,3.6811;-2.3253,.5015,3.9055;-1.447,-1.453,3.7136;-1.5766,-1.4473,2.6114;-2.3499,-1.9283,4.1375;-.2361,-2.3203,4.0768;-.3889,-3.3278,3.6441;-.2071,-2.4552,5.1728;1.1007,-1.7666,3.5861;1.3516,-.8165,4.0897;1.9244,-2.4737,3.7927;1.0863,-1.573,2.4957;-1.0219,-2.3397,7.3348;-2.2794,-.4631,6.5754;-3.319,-.192,6.3616;-3.2644,-2.2832,7.6208;.8499,.6279,10.8335;1.0175,.9686,11.8724;1.6074,1.1159,10.1921;1.0424,-.4597,10.7973;-.5654,.9412,10.3543;-1.3069,.4577,11.0138;-.75,2.0309,10.4308;-.8342,.4654,8.9253;-.6015,-.6127,8.8472;-.1633,.9832,8.2152;-2.293,.7061,8.53;-3.2138,.3521,9.2658;-2.4332,1.5847,7.8448;</scalar>
</formula>
</molecule>
                  <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" id="irc-center.0" units="nonsi:hartree">-774.605830836649</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">-115.15697783 28.72549618 32.84253913 51.76503658 58.55766258 68.54095623 74.43812283 78.75867616 101.07420919 102.77396375 118.46600197 134.09094930 146.00372884 166.46846424 189.32253127 223.93990174 238.09727688 261.82303102 264.23796069 266.99514864 293.49718926 314.15512548 348.06130503 356.94393008 367.67938894 402.58317927 442.19584518 495.55306634 532.68124615 563.37518141 589.40095476 690.16234085 748.16449443 760.69750153 764.20263874 789.79909963 798.93388360 801.11216063 861.42055529 864.13183281 883.04745336 902.81013085 905.98803442 915.09985061 942.80852885 953.82097231 986.51450851 1002.77158000 1023.66945833 1041.16184052 1068.11651713 1077.66156902 1078.63558151 1121.76441333 1126.90233273 1132.23572568 1147.03839790 1153.25487345 1163.92098591 1176.53947975 1199.20750220 1211.74629663 1234.74501013 1253.31509420 1271.95752541 1294.10308773 1309.29512524 1312.19907672 1329.96031661 1338.73758633 1344.60618985 1353.32914584 1367.61247847 1380.64592497 1391.96114872 1405.54163780 1406.29688652 1413.19094652 1418.78927337 1420.38079424 1433.73795839 1444.02370180 1466.81024320 1472.77605472 1475.84939622 1478.66191037 1485.01889204 1487.89153493 1488.82798774 1490.02169789 1490.89213761 1492.61694203 1500.10548116 1501.36820307 1506.06554332 1513.09413475 1519.84986829 1702.03034614 1747.37284253 2842.39296905 2946.75057776 2990.69406961 3004.87605687 3008.61701541 3009.83663092 3010.18705321 3018.69408351 3022.37429094 3024.17008084 3034.11489829 3042.55978937 3074.59978515 3075.52364506 3080.61838001 3081.90999096 3082.78471478 3086.44529942 3087.18921187 3093.06793532 3100.01087179 3104.01051825 3106.88101288 3111.90353864 3116.27150365 3143.35371558 3169.41439951</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="126">5.84134406 3.73397743 3.43020695 3.05512544 2.04389486 2.62403444 2.17574791 2.76995547 3.96113639 2.72089250 4.91125309 3.58915489 2.96993428 2.88348036 3.39069335 2.14576066 1.21009117 1.11930742 2.26656777 2.69535494 2.91895753 1.77840687 2.64774600 2.57644805 2.68037293 4.49749562 2.16883569 3.41324693 2.86814277 2.69813623 2.59952119 3.06195608 1.26120583 1.14099873 1.12170612 3.13436622 1.28218161 2.65271421 1.57393728 1.99857077 1.38417067 1.76457498 1.65773468 1.39784260 1.91266778 1.70726620 1.67384608 1.50961244 1.76898917 1.66903778 2.56166723 2.23759236 2.13825544 2.15612839 1.87915321 1.63440482 2.20379693 2.09749072 1.87223012 1.88910216 1.90405404 3.21557716 1.40467497 1.36753779 1.30319638 1.22684460 1.22602744 1.31494240 1.11506195 1.15308621 1.17618430 1.21310337 1.44646989 1.36264007 1.32844708 1.31741148 1.27715546 1.27784958 1.46821983 1.49117015 1.44733096 1.48937752 1.08168079 1.11653891 1.10229263 1.12582299 1.10657833 1.06852085 1.05522281 1.04999721 1.05239471 1.03999921 1.13572445 1.08877808 1.07140601 1.81298667 1.16754342 8.09926045 9.80674917 1.08585860 1.07297182 1.06649068 1.06448692 1.03832530 1.03951984 1.04339487 1.06692991 1.05924983 1.06774568 1.06235989 1.10106598 1.10666509 1.09189087 1.06972533 1.09555810 1.09782043 1.10238438 1.10069180 1.10470116 1.10270365 1.10105048 1.10088227 1.10368494 1.10356238 1.10614688 1.08843361</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">-0.0037471463 -0.0142816750 0.0344489824 0.0174298231 0.0323954772 0.0788272058 -0.0191009494 -0.0046882165 0.0075596870 0.0130344990 -0.0741339256 0.0585350457 -0.0255659246 -0.0016962541 -0.0188776230 -0.0448769537 -0.0532633570 -0.0705361250 -0.0545827870 0.0795498531 -0.0517796083 -0.0008752590 -0.0109962620 0.0346348490 0.0143617257 0.0363570796 0.0914308656 -0.0207258361 -0.0756117532 0.0720991483 0.0519365824 0.0158515238 -0.0108807869 0.1062908054 0.0685267088 -0.0391575679 0.0560905505 0.0388927356 -0.0455417396 0.0492857779 0.0915110668 -0.0775696211 0.1480179112 -0.0252026951 0.0231098314 0.1031121305 -0.0428161858 0.0781008741 0.2034658830 -0.0533269195 0.0254454582 0.1445392199 -0.0221373327 0.0144822243 0.1721618690 -0.0526576788 0.0843967928 0.1838147413 -0.0279144460 -0.0456318413 0.0375111655 0.0108302836 0.0053318497 0.0295289325 0.0113513184 0.0155476556 0.0160855360 0.0263712029 -0.0626363410 -0.0183171493 0.0148273950 0.0678986832 -0.0211295856 0.0174315965 0.0588307187 -0.0747126242 0.0309414214 0.0645676544 -0.0012549328 -0.0028834648 0.1254439708 -0.0587216126 -0.0570666221 0.0135946923 0.2546120432 0.2104971815 -0.0260267177 0.1320071955 0.1364065677 -0.0407434866 -0.0016716467 0.0371288324 0.0079518606 0.0670608363 0.0359576249 0.0980715588 0.0753906660 0.0600769884 0.2034113806 0.0799228154 0.0210105536 0.0182870757 0.1608091558 0.0418196386 0.0773108025 -0.0847040186 0.0136128993 0.0784651015 -0.1002388506 0.0293476979 0.1689967922 -0.1901599815 0.0071528832 0.1065520426 -0.0942257670 -0.0284520383 -0.0987954496 0.0307056195 0.0192512390 -0.1742595903 -0.0831709882 -0.0303499244 -0.1775900744 -0.2775763348 -0.1397177184 -0.1176589631 -0.2107435879 -0.1007404454 -0.0841193898 -0.0551852359 0.1334845111 -0.1323330860 -0.0645368994 -0.1842645062 0.0159200223 -0.0997359956 -0.2142052344 -0.0025765770 -0.0366902142 -0.2334578668 0.0081878457 -0.1099559373 -0.1460220008 0.0159278330 0.0006318345 -0.1340827030 0.0487889846 0.0291544667 -0.1088991188 0.0666762497 0.0487817121 -0.1674023023 0.0454149541 -0.0309887672 -0.0704310126 0.0631909270 -0.0692010951 -0.0764664713 0.0710284215 -0.0500076535 -0.0546633220 0.0684069665 0.0226593641 -0.0199022301 0.0408494692 0.0257487513 -0.0106854043 0.0265797161 0.0415570344 0.0069758987 0.0298347962 0.0134420220 -0.0166844028 0.0453807168 0.0208314074 -0.0237515872 -0.0060228436 0.0252063436 -0.0135984503 0.0099270891 0.0047129138 -0.0598308018 -0.0087472570 0.0292185320 -0.0046046061 -0.0583863692 0.0233534883 -0.0137411514 -0.0816926591 0.0202325829 -0.0203812567 -0.0745841975 0.0555431960 0.0455732075 -0.0615879085 0.0482264815 0.0599909315 -0.1019029959 0.0617884883 0.0411938978 -0.0398593796 0.0839745073 0.0805244419 -0.0409035389 0.0947295819 0.0694896804 -0.0014689811 0.1008748226 0.1148037191 -0.0468942319 0.0787949551 0.0850763848 -0.0585197471 0.0297095061 -0.0325033585 0.0402943481 0.0248592638 -0.0096777757 0.0298749800 0.0283863556 0.0020515321 0.0331267549 0.0072621231 -0.0224357601 0.0560595026 -0.1877205181 0.2304915520 -0.0087438825 -0.2250153577 0.2992990846 -0.0273892623 -0.2441296248 0.2023970190 0.0792382423 -0.1736212237 0.2707650842 -0.0601486752 -0.0884295756 0.1291871167 -0.0305066393 -0.0302355146 0.1652486646 -0.1109400677 -0.1132415874 0.0961952281 0.0162031808 -0.0331973434 0.0294322785 -0.0096887591 0.0040482355 0.0301020061 -0.0182207537 -0.0819866321 -0.0207146404 0.0264372098 0.0439926926 -0.0004316994 -0.0200309955 0.0701589461 -0.0054327191 -0.0825131811 0.0701778887 -0.0225562006 0.0245012613 0.0443880273 0.1027861093 -0.0003054661 0.0962970639 0.1322687086 0.0101124151 0.0118414712 0.1401424949 -0.0290039482 0.0504147569 0.0647794848 0.0171794666 0.0140747178 0.0677701044 0.0008513492 -0.0340590243 0.0419640461 -0.0097313514 0.0058860542 0.1038367118 -0.0157433654 0.0547850327 0.0182379444 0.0392543561 0.1060079868 0.0375641427 0.0449261974 0.0472662124 -0.0165810067 0.0570190996 0.0045535080 -0.0301532067 0.0622631745 -0.0059820343 -0.0398811071 0.0896999851 0.0087065585 0.0172209009 0.0976343582 -0.0406998450 -0.0575682125 0.1428300400 -0.0017682736 -0.0997182976 0.0415561381 -0.0111150468 -0.0764495069 0.1203682719 -0.0076287715 -0.2145002920 0.0361685426 0.0178366281 -0.0452226860 -0.1035255032 0.0188235004 -0.0925061937 -0.1250510729 0.0244882364 -0.0871462739 -0.1879162570 0.0252823082 0.1207616160 -0.1178308818 0.0125638645 0.1575417145 -0.2287314754 0.0289475527 0.1351103454 -0.1040395607 0.0477669950 0.2152505763 -0.0072238971 0.0654118376 0.1908142420 0.0972521672 0.0470682851 0.3280842865 -0.0275531558 0.0476924868 0.2017692318 -0.0053224799 -0.0301919618 -0.0419657962 0.0647691033 0.0217344308 -0.0212613144 0.0671070598 0.0425485151 -0.0193955660 0.0671985414 0.0405879725 -0.0075070755 0.0512108222 -0.0707126387 -0.1538522321 -0.0976410053 -0.0579256409 -0.1979128592 -0.1470689899 -0.0516021300 -0.1363372361 -0.1067114488 -0.1224218876 -0.1805899203 -0.0581764089 -0.0460573992 -0.0871452832 -0.0736390983 -0.0685286781 -0.1104495106 -0.0689468444 0.0108359546 -0.0653872215 -0.1119943353 -0.0652974854 -0.0218967763 -0.0089810922 -0.1287194652 -0.0207446223 0.0018174537 -0.0410977114 0.0136164666 0.0154629890 -0.0393139791 -0.0080799347 0.0013484399 -0.0139367464 0.0174540350 -0.0032921890 -0.0201659667 0.0095110697 0.0044067725 0.1701141297 0.0206426891 0.2292883933 0.1739501520 0.1475408587 0.3748954500 0.1489372954 0.0622442630 0.2428609583 0.3080125928 -0.1451957933 0.2556138400 0.0229092673 0.0165939467 0.0011260106 0.0404603746 -0.0841284765 -0.1237691969 -0.1160452107 0.1503927767 -0.0107439509 0.0331582535 -0.0294225211 -0.0440598876 0.0457288615 -0.0196143198 -0.0351112618 0.0732656750 -0.0515157974 -0.0595928750 -0.0105132925 -0.0525727280 -0.0640226990 0.0120532100 -0.0332708576 -0.0287961005 -0.0197945445 -0.0487703032 -0.0329626667 0.0588753365 -0.0327123910 -0.0485086822 0.0125089223 0.0221033305 0.0265753620 0.0307044631 0.0504644689 0.0591636901 0.0545760391 0.0177613846 0.0294420905 -0.0579800827 0.0453888492 0.0333147091 -0.0552454345 0.0832870568 0.0611465911 -0.0755345651 0.0182686808 0.0079898580 -0.1055978040 0.0592123062 0.0297994867 -0.1584724731 0.0810885591 0.0277821120 -0.1133230054 0.0146198911 -0.0000111334 -0.0781406411 0.1047494444 0.0655945759 -0.0248098300 0.0815018135 0.0614940584 -0.1239715115 0.1156427268 0.0631494145 -0.0647197909 0.1520276731 0.1018022734 -0.0094459276 -0.0475724611 -0.0639779050 -0.0077004760 -0.0636186586 -0.0527419824 0.0074125235 -0.0676905624 -0.0543316069 -0.0170279319 -0.0630214209 -0.0654152315 -0.0364845348 0.0727589368 -0.0026539890 -0.0709698042 0.1489777612 0.0146821008 -0.0885195501 0.0172586673 0.0006363143 0.0345409251 0.0763199012 -0.0159542009 -0.0177064725 0.0413852973 -0.0106027371 0.0346062518 0.0998897272 -0.0105154756 -0.0921401286 0.0429511559 0.0012538058 0.0281627833 -0.0591600922 -0.0361478421 0.1071647058 -0.0825009458 -0.0235656436 -0.0187212854 -0.1247614856 -0.0719549991 0.0278400733 -0.0327033089 -0.0303362318 0.0261123738 -0.0148721870 -0.0062442279 -0.0023983441 -0.0467060737 -0.0474330033 -0.0191675469 0.0208538862 -0.0361433989 0.1402421826 0.2375400438 0.1424214919 -0.1154774665 0.0633025883 -0.2495496222 -0.0268152849 -0.2619435308 0.1176052405 -0.0869900909 0.0515662143 -0.1871708593 -0.2189848283 -0.1439176110 -0.3594063139 -0.0964336738 0.2964011848 -0.3176064950 0.0201402078 -0.0032127541 0.0601943898 0.1695961890 0.1061273807 0.1530745170 -0.0473632270 -0.1821126723 0.1673399666 -0.0099064805 -0.0266510747 0.0406804132 0.0044758101 -0.0043108069 -0.0144660375 0.0217633994 -0.0322442533 -0.0166359682 0.0157879881 0.0033807117 -0.0361195973 -0.0102279153 0.0359544849 -0.0296915205 0.0146378105 0.0432524146 -0.0648747379 -0.0324920999 0.0679478708 -0.0299165841 -0.0322051182 0.0322939627 -0.0024604998 -0.0446631090 0.0706826070 -0.0219706761 -0.0646810791 0.0291906766 0.0364153740 0.0021983803 -0.0172453349 0.0033822831 -0.0257214709 -0.0121171824 0.0241803306 0.0107216944 -0.0628960847 0.0317425906 0.0618695950 -0.0140630067 -0.0521269264 0.0935574422 -0.0251211415 -0.0712380048 0.0866393423 -0.0492060921 -0.0455534408 0.0541717412 0.0348096873 -0.0847726335 -0.0434230723 -0.0753092298 0.0408568523 -0.0131805990 -0.0085067545 0.0182486907 -0.0048418113 0.0280363280 0.0276999010 0.0353128214 0.0175496539 0.0567247005 0.0015167963 0.0323126827 0.0263285583 -0.0228373319 0.0873904248 0.0421348899 -0.0352026212 -0.0131383669 0.0120656258 0.0617898218 0.0257928004 0.0267561189 0.0028598438 0.0270355436 0.0246886418 0.0394730189 0.0732307923 0.0390372461 -0.0572879361 0.0363252347 0.0240870059 0.0337888284 -0.0422908061 0.0049162725 0.0939836479 -0.0655451139 0.0213172656 0.0016898537 -0.0899929821 -0.0302357874 0.0292720058 -0.0110728325 0.0129352490 0.0175053581 -0.0133522591 0.0296569123 0.0248666386 -0.0017699920 -0.0013236193 0.0290202895 0.1172606311 -0.0227476860 0.0249087930 0.0413459289 -0.1088992430 0.0308127786 0.1515371166 0.0470071184 0.0375375647 0.2170672812 -0.0796924086 0.0249725188 0.0473677803 0.0686519925 0.0204595807 0.1121911382 0.1458836258 0.0243560582 -0.0303668760 0.1105822994 0.0281750842 0.0058910510 -0.0000927991 0.0233434611 -0.0105847211 -0.0219887344 0.0633887130 0.0286885558 -0.0292465548 -0.0072576749 -0.0319068222 0.0000796364 0.0352962629 0.0124904275 -0.0242467349 0.0425356628 -0.0222496258 -0.0274357909 0.0863062742 0.0153437667 -0.0532917555 0.0145812548 0.1075406227 -0.0148237325 0.0634396743 0.1241554260 -0.0769948922 -0.0044325418 0.1831882672 -0.0129863245 -0.0502638287 0.0986285684 0.0629042862 -0.0787789481 0.1970877711 0.0229321448 -0.1297446341 0.0890014999 0.1543099113 0.0218023755 -0.0231725873 0.0769115627 -0.0501401630 -0.0094574016 0.1294439978 0.0376976952 -0.1324183898 0.1299778896 0.1650163202 -0.0118095858 -0.0506971911 0.2468127165 -0.0408368784 -0.0982721605 0.2174777311 -0.0954509070 -0.0349367006 0.1489849082 0.1092843456 -0.1222811797 0.0017317326 -0.0231984632 0.0001957112 -0.0034237814 -0.0219264787 -0.0033450159 -0.0284325241 -0.0255542401 -0.0038906906 -0.0145200239 -0.0343486454 -0.0020658569 -0.1076808109 0.0366012920 0.0068071963 -0.0755280154 -0.0427433608 -0.0314812346 -0.0593139707 0.1473980850 0.1605718123 -0.2592762597 0.1226901751 -0.0803011174 -0.0220256706 -0.1059158391 -0.0295762690 -0.0598121899 -0.1984432451 -0.1678957397 0.1065463204 -0.1882165255 0.0510519329 -0.0569773206 -0.0202610436 0.0040347931 -0.1476667401 0.0229459154 -0.0294332682 -0.0098919191 0.0521196366 0.0703456500 -0.0389440551 -0.0751969413 -0.0116526555 -0.0284082518 -0.0912049758 -0.0488438973 -0.0022539614 -0.0713789106 0.0210974238 0.0188925975 -0.0237483274 0.1300921477 0.0399600772 0.1178730952 0.2849419691 -0.0043655255 -0.0149025668 0.0759672403 0.0956107426 -0.2092780483 0.1941345065 -0.0699882065 0.0191378972 -0.0723060597 -0.0669061021 -0.0910940565 -0.2018929619 -0.1541632122 0.1619619330 -0.1137257810 -0.0565847946 0.0129757382 -0.0376097612 -0.0357071952 0.0294911533 -0.0232426183 -0.0707766932 -0.0152836707 -0.0190759102 -0.0108822222 0.0520531213 -0.0040853938 -0.0057604562 0.0375846890 0.0494361226 0.0052607569 0.0910722498 0.0564949377 -0.0383832988 0.0203623603 0.1007980115 0.0005480096 -0.0284515848 0.0118618360 -0.0277238983 -0.0519799741 0.0130042870 -0.0191079899 -0.0518323766 0.0095075993 0.0689985245 -0.0418119307 -0.0168423480 0.0762985342 -0.0991833857 -0.0227901555 0.1066077267 -0.0193134592 -0.0277381255 0.0782178222 -0.0153830694 -0.0184919629 0.1514508849 -0.0414333585 -0.0301268543 0.0767886410 0.0650755381 -0.0196813971 -0.0040894317 -0.0642236944 -0.0035191268 -0.0853485518 -0.0308818937 0.0159415423 0.0170922676 -0.0443236368 -0.0069011465 -0.0099664268 -0.1548106417 -0.0082114779 0.0035701391 0.0967768498 -0.0048573397 0.0084741998 0.0394734478 0.0207430552 0.0002781583 0.0045171475 0.0117231979 -0.0511056274 0.0125451450 -0.0299163508 -0.0527110554 0.0234532412 -0.0094187395 0.0018614448 -0.1131776941 -0.0793299880 0.0293639760 0.1779381323 0.1631599310 -0.2739609474 0.1101569713 -0.0882879760 0.0501384610 -0.1020734643 -0.0385024220 -0.0154159067 -0.2330712339 -0.1972442576 0.2427897186 -0.1868870292 0.0334341015 -0.0111775470 0.0484630304 0.0363287565 -0.1606288843 0.0997767986 0.0042918892 0.0589871634 0.1572175190 0.1338095196 0.0213084101 -0.0095718555 0.0175486041 0.0209487221 -0.0486495061 -0.0344707300 0.0607408845 -0.0202895068 0.0632606272 -0.0108720611 0.0505199591 -0.0535412246 0.0232498489 0.0120264693 -0.1137052834 -0.0235900181 0.0589132710 -0.0767972312 -0.0672245860 0.1009651474 -0.0550847290 0.0332759774 0.0263153069 0.0504570479 -0.0101115879 0.0507988966 0.0968447792 0.0910465939 -0.0059218133 0.0415131150 0.0560799961 0.0134711600 0.0974010236 0.0840058086 0.0432257474 0.1284234441 0.0556924693 -0.0345421069 0.1158812080 0.0099246422 -0.0219379903 0.0349323028 0.0094143978 -0.0012678134 -0.0451375242 0.0279351027 -0.0225432714 -0.0466368597 0.0042255073 0.0066658350 -0.0612849955 0.0018764392 0.0097500679 -0.0590974876 0.0083486788 0.0143336821 -0.0616477729 -0.0036851634 0.0101713410 -0.0595082343 -0.0033565174 0.0112317793 -0.0574980415 0.0179633558 -0.0167675551 -0.0041972706 0.0384347234 0.0177120909 -0.1029038143 -0.0885161642 0.0366221359 -0.0634134418 -0.0315688631 0.0101340547 -0.0497457138 -0.1059975447 0.1107329502 -0.1243068004 -0.2268110966 -0.0144674333 0.0023490074 -0.2981026813 0.0203972968 -0.0157983866 -0.2910646239 0.0010441024 -0.0012867204 -0.2073008680 -0.1062602493 0.0803788368 -0.0039218967 -0.0767279118 0.0350082848 0.0000363084 0.0067312235 -0.0023518434 -0.0044393406 0.0484096730 0.0089945015 0.0441695899 0.0250890756 0.0731115267 0.0052608684 0.1165657597 0.0411654241 0.0503312445 0.0203896617 0.0291202377 0.0735327645 0.2642588203 0.2358314968 -0.1695698744 0.2432960198 -0.0931459469 0.0817786926 -0.0979075601 -0.0194764404 0.0384375893 -0.2081044945 -0.1894271743 0.2183018335 -0.2135936352 0.1020590448 0.0396215916 -0.0122812851 -0.0078722934 -0.0368739692 0.0126398312 -0.0231956137 0.0848391648 0.0520208535 0.0316134787 0.0388489371 -0.0254974405 -0.0124845154 0.0236232511 -0.0515668507 -0.0237756375 0.0557831748 -0.0175112937 -0.0045857908 0.0641829519 -0.1702551165 -0.0139164316 0.0489909957 -0.0976645487 0.0773227449 0.0795602186 -0.2461726236 -0.1096936901 0.0180641874 -0.2667974705 0.0580289302 0.1160363770 -0.0499589005 -0.0948788140 0.1370383625 -0.1039468947 -0.1674074124 0.1478586765 0.0123258665 -0.1431713708 0.0952700451 0.0316615316 -0.0059306638 0.0866257695 0.0493899333 0.0234390926 0.0484129054 0.0095226857 0.0300143301 0.0826193796 0.0317066260 -0.0113200335 0.0228862757 0.0074587414 -0.0406479748 0.0382665958 -0.0191954364 -0.0423506341 0.0540539998 0.0120122112 -0.0635764523 0.0043996900 0.0848752463 -0.0410509362 0.0462815503 0.1059879160 -0.0767761138 -0.0095553291 0.1293838330 -0.0401700321 -0.0493374930 0.0870739891 0.0041055899 -0.0536871545 0.1315986709 0.0128254866 -0.0730696498 0.0812516422 0.0262358391 -0.0610016113 0.0364088474 0.0086421459 -0.0415713212 0.0179355397 0.0468120673 -0.0638536023 0.0469376987 -0.0040686800 -0.0980752610 -0.0089289641 -0.0194652291 -0.1263942150 0.0093243039 -0.0546225434 -0.1042542685 -0.0427248100 -0.0133589400 -0.0957582171 -0.0317638170 -0.0090773446 0.1183228393 0.0512736846 -0.0126095573 -0.0053583283 -0.0114840617 -0.0091750462 -0.0549961398 -0.0387283118 -0.0158738331 0.1478586444 0.0887499973 -0.0059902135 -0.1264317340 -0.1355832045 -0.0000061946 -0.1179262643 -0.1831199945 -0.0828165742 -0.1145369933 -0.1341055515 -0.0311838889 -0.1841316146 -0.1933043979 0.0787152713 -0.0876966675 -0.0127065826 0.0429954259 -0.1148275086 -0.0361226532 0.0621306685 -0.0233377306 0.0301947438 -0.0234099363 -0.1088980682 0.0657291629 0.1124709983 -0.1921355547 0.1109048514 0.0749000210 -0.0731966376 0.1271471414 0.1919674039 -0.0698338710 -0.0254412689 0.0816413270 -0.0503977088 -0.0506316862 0.0118462555 -0.0523194454 -0.0721291072 0.1420332947 0.0091392137 -0.1076174867 -0.0006305910 -0.0077679384 -0.0746621526 0.0453334665 0.0240130409 -0.1605529465 -0.0548135616 -0.0268641180 -0.1517317740 0.0390890616 0.0505501781 -0.0323785347 -0.0378914486 0.0659000014 -0.0573779509 -0.0741666091 0.0784734002 -0.0060973881 -0.0642069022 0.0342871255 0.0230617551 0.0129793417 0.0235160537 0.0351867699 0.0356159775 0.0096355628 0.0083014669 0.0332414057 0.0075419082 0.0120541690 -0.0187503372 -0.0823002478 -0.0471466558 -0.0143322996 -0.1195010084 -0.0649943680 -0.0192218148 -0.0921844275 -0.0329903883 -0.0406638992 -0.0601377637 -0.0723885598 0.0497544454 -0.0844024371 -0.0739251061 0.0981077686 -0.0053310148 -0.0932819411 0.0527790069 -0.0791447615 -0.0615945408 0.0406433377 -0.0867615540 -0.0400908601 0.0268465612 -0.1019488500 -0.0805813163 0.0376023579 -0.0581731972 -0.0370401408 0.0391863991 -0.1768994641 0.0214162880 0.0006371209 -0.0490596121 -0.1535861173 0.0663109184 0.1091807001 0.0876238932 0.0459761419 0.2572379835 0.0178025623 0.0659547816 0.0957809514 0.1015225968 0.0434469113 0.1123681549 0.2420616657 0.0320213679 0.0061378352 -0.0140655935 -0.0204848123 -0.0467964148 -0.0116345148 -0.0290050271 -0.0102045918 0.0071868975 -0.0250642981 0.0693818358 0.0677158545 0.0017847843 0.0989979429 0.0823540346 0.0410609728 0.1827752836 -0.0731137724 0.0810364653 0.2263768094 0.2680407037 0.1661590428 -0.0777574288 0.1967237440 -0.0778535990 0.0629981108 -0.0872479885 -0.0176120790 -0.0222082507 -0.2188570695 -0.1187275453 0.1922509762 -0.1892151069 0.0878343865 -0.0143753758 0.0450550195 -0.0518033593 -0.0849277894 0.0581714518 -0.0551357656 0.0495735782 0.1235111865 -0.0511027741 -0.0610946739 0.0606612091 -0.0451710452 -0.0706994993 0.0772852220 -0.0081857315 -0.0993883278 0.0543266677 -0.0758746556 -0.0363003936 0.0352583960 -0.0507751790 0.0649807489 0.0765873300 -0.0494438403 -0.1010866547 0.1182037659 -0.0910612937 -0.0215833193 -0.0159900250 -0.0298529839 -0.1015475269 -0.0493757227 -0.0370216362 -0.1857174855 -0.0879180002 -0.0453687513 -0.1228784117 -0.0011008146 -0.0509924511 -0.0347878586 -0.1422530384 0.0028710826 0.0334699531 -0.0957518470 0.0391170167 -0.0138379201 -0.2228397662 0.0203565029 0.0460936035 -0.0789915677 -0.0337399307 0.1131317243 -0.0250605054 -0.0873196821 0.1063489799 -0.0786822317 -0.0938279768 0.1418069230 -0.0089203116 -0.1366568595 0.1162471851 0.0290956168 -0.0426766734 0.1265515349 0.0356047582 -0.0474995946 0.1455611947 0.0630011500 -0.0392819641 0.0755753571 0.0254336105 0.0064184873 0.0900770581 0.0393077348 0.0587508799 0.0903782353 0.0261206707 -0.0127986330 -0.0051852584 0.0113535348 0.0039524356 -0.0412132634 0.0184712883 0.0304352830 -0.0215688488 -0.0129430899 -0.0536114240 -0.0255899243 0.0261184028 0.0443537017 0.0247728268 0.0121030845 -0.0106860201 -0.1245872649 0.0055338039 0.0469428529 0.0037375112 0.0712161313 0.1326708514 0.1034658429 -0.0592207347 -0.0351923394 0.0824112903 -0.0410237133 -0.0482502393 0.0169343429 -0.0572887200 -0.0506602494 -0.0816483667 -0.1668850803 -0.0196847213 -0.0609743263 0.0036360302 0.0065759162 0.0025489173 -0.1518381924 -0.0651621298 0.0350217613 0.1543809231 0.1287736184 -0.2770235668 0.0597960267 -0.0354832842 0.0046404941 -0.0536004536 -0.0050067326 -0.0597736435 -0.1585742636 -0.0974078781 0.1593895221 -0.1036293611 0.0292026495 -0.0536506142 0.0885835422 0.0511938699 -0.1502302205 0.0957894433 0.0603532690 0.0134862028 0.1698129906 0.0556438906 -0.0880203598 0.1213268523 0.0696022262 -0.0290386885 0.2616301963 0.1636099388 -0.2024944153 0.0751261109 0.0085830787 -0.0168455905 0.0668674356 0.0163295566 0.0859676588 0.1245529744 0.0367330685 -0.0787129889 0.1312394243 -0.0513771825 -0.0170877730 -0.0081672763 0.0561108120 -0.0592743806 0.0122927684 0.0219788467 -0.1392086296 -0.0293037902 0.0078513234 -0.0613458229 0.0679860796 -0.0100198493 0.0012795766 -0.0546059875 0.0866440290 0.0672720571 0.0102906946 0.1515963282 0.0254443568 -0.1672412905 0.1136857380 0.0144764974 -0.0322026263 -0.0024486986 -0.0102402448 -0.0342867570 -0.0223154340 -0.0126522735 -0.0402171220 -0.0233407356 -0.0050246332 -0.0319168357 -0.0288863634 -0.0102963090 -0.0210681853 -0.0033993285 -0.0072014021 -0.0151259618 0.0049809417 0.0061964563 -0.0163077063 -0.0019749458 -0.0353192339 -0.0167927481 0.0086736267 -0.0359528421 0.0024104537 0.0160959717 -0.0448367880 -0.0254391454 0.0058071462 -0.0487590847 -0.0170820002 0.0083176193 -0.0953360251 0.0026669287 0.0049624722 -0.0495719365 -0.0607997569 0.0018666759 -0.0017762214 0.0249069081 0.0191716110 0.0609102519 -0.0012565561 0.0058889876 -0.0372559815 0.0199172523 0.0197516940 0.0085802797 0.0884295907 0.0427012227 0.0909354232 -0.0138018298 -0.0069433941 -0.0206267659 -0.0404293070 -0.0176721938 -0.0378550307 -0.0436642834 -0.0177025126 -0.0566300500 -0.0633720774 0.0346223779 0.1338673089 -0.0503629311 0.0168596936 0.1928174456 -0.1539960005 0.0601375308 0.2234928911 -0.0080003416 -0.1297076349 0.1260095673 -0.1126714268 0.0950303589 -0.0213252135 0.0970321493 0.0460938766 -0.1080840721 0.0388811702 0.1507987049 0.0210861152 0.1408149129 -0.0170065961 -0.0897312912 0.2214775701 0.0493332635 -0.2387965973 0.3220000969 -0.0434059572 -0.0316972057 0.3347080153 0.2327876051 0.0254601497 -0.0002026476 -0.0248129097 0.0775464027 -0.0662892908 -0.2314920430 0.0640425693 -0.1449565321 0.1371444632 -0.0641578815 0.0324402094 -0.0087401375 -0.0231597651 0.0396620337 -0.0188777036 -0.0821050403 0.0313326037 -0.0655986161 -0.1141592984 0.0228033232 0.0186948127 -0.0318877246 0.0361117866 0.0329667613 -0.0684729403 0.0194671361 0.0306963104 0.0036147735 0.0515797380 0.0078836432 -0.0076125293 0.0281814111 0.0886662428 0.0177977223 0.0884335978 0.1638972178 0.0183626013 -0.0709191410 0.1097544920 0.0169243865 0.0584651172 -0.0528457571 -0.0393790856 0.0210762685 -0.1302520590 -0.0721971289 -0.0489071474 -0.1409274338 -0.0703791155 0.0561401758 -0.1957567222 0.0037049902 -0.0528639189 -0.0426343502 -0.0743610683 -0.1093411641 -0.0162219654 0.0782597533 -0.0353052731 -0.0367920634 0.0592260001 -0.0945574686 0.0100985258 0.0937624196 -0.1577103429 0.0856213364 0.1429494783 -0.0559828925 -0.0356244598 -0.0510540850 -0.0654553849 0.0018722463 -0.2028132338 -0.0011044515 -0.0099488403 -0.0690051581 -0.1818669897 -0.0649528508 0.0534535670 0.0816309449 0.1023932616 0.2977832057 -0.0135297214 0.0075117896 -0.1716680091 0.0569900648 0.1043026847 0.1190117407 0.3197835393 0.2794035900 0.1033370872 0.0508874811 -0.0579440104 -0.0183739932 0.0670829635 -0.0869830395 -0.0856493494 0.0559087185 -0.0881162326 -0.0483435130 0.0557346044 0.0132872799 -0.1035753646 -0.0284646414 -0.0314961524 -0.1613129039 0.0557618287 -0.1205508224 -0.1921265346 -0.1135890979 -0.0016270141 -0.0767316776 -0.0630472526 0.0081784224 0.0258237208 0.0095015778 -0.0042244078 0.0820577662 0.0603167214 -0.0344467204 0.0125911754 0.0373566522 -0.0372183569 0.0690371817 -0.0478792799 0.0496533832 0.0981628341 -0.0576711403 0.0572758760 0.0400543550 -0.0849247209 0.0381499910 0.0530450929 -0.0380579641 0.0448604552 -0.0040200520 -0.1046528551 0.0593781437 0.0654105468 -0.0187574508 0.0391460353 0.0353733670 -0.0235553315 0.0286601468 -0.0782493484 -0.0821955712 0.0124166966 0.0960712060 -0.0550775706 0.1541615637 0.0995946860 0.0526661129 -0.0405024502 0.0237722688 -0.0089833989 -0.0082361064 0.0918921547 0.0319003593 0.0074264724 -0.0095430591 -0.0535254439 0.0313438256 -0.0247804192 0.0280492597 -0.0914590805 -0.0826856736 -0.0486010963 -0.1766450334 -0.0587998385 0.1609014861 -0.1195190989 -0.0462336879 -0.0127452113 0.0345596209 0.0446952497 0.0108661720 -0.0350838968 0.0888413845 -0.0351603725 -0.0375698234 0.0023479130 0.0295547565 -0.0612985756 0.0348874229 -0.0019308157 -0.0888277468 0.0379070060 -0.0265648334 -0.1578325657 -0.0115226043 0.0547080185 -0.0896423683 0.0453445544 -0.0327144045 -0.0258160119 0.0741978832 -0.0435166826 0.0605651210 0.0933470250 -0.0069786338 -0.0436924479 -0.0837237269 -0.0840537560 -0.0293891974 -0.2482044385 -0.0354662269 0.0298595553 -0.1019286121 -0.2291224547 -0.0957173298 0.0254649380 0.0141038046 -0.0022836864 0.3015873682 -0.0784797881 -0.1977889134 -0.2329174787 -0.1097364818 0.0167429533 0.0998641736 0.3110246863 0.1956664402 -0.2259815856 -0.0856733204 0.0438490651 0.0596417869 0.0526529542 0.0306759813 0.0649403818 0.0897622665 0.0404648492 0.0425419754 0.0264037284 -0.0148045565 -0.0179606785 -0.0292337396 0.0043367465 0.0068002234 -0.1025122108 -0.0575400712 0.0189295019 0.0141258717 0.0128012316 -0.1068778483 -0.0483181575 0.0391057003 0.0137075175 0.0274363208 0.0252248533 -0.0128330111 -0.0044093514 0.0190344465 0.0746829100 0.0407409933 -0.0033119674 -0.0071185634 0.0903344896 0.0796920309 -0.0783353944 0.1233407246 0.0532261948 0.0185252090 0.1370258673 0.1480896886 0.0379552093 0.0253784272 0.0594326629 0.0638471541 0.0119326047 -0.0057534542 0.0712239914 0.0031095975 0.1109492308 -0.0104079996 -0.0204908324 -0.0043480959 -0.0023807201 -0.0269201687 -0.0154327372 -0.0082489778 -0.0455029193 -0.0448347309 -0.0630602866 -0.0128273762 0.0154326175 0.0343419296 0.0027947167 0.0352451887 0.0146036981 0.0018863286 0.0399166366 0.0762439309 -0.0005473028 0.0179694297 0.0409981306 0.0130525839 0.0730007240 0.0503958251 0.0761999097 0.1604664958 0.0812683045 -0.0890523392 0.0874087249 -0.0697631742 -0.0351338291 -0.1194882381 -0.0432306499 0.0402452112 -0.0491277423 -0.1324143591 0.0982406161 -0.0490272234 0.0011216797 0.0175237985 -0.0166566276 -0.0017790450 0.0048029300 0.0685010233 -0.0625358039 -0.0083992336 0.1655256715 0.1026285494 -0.0501125927 0.0735637670 0.0423430662 0.0061635890 0.0311239801 0.0332951990 -0.0375487216 -0.0195547757 0.0516602986 0.0143560868 0.0311340675 0.1360803835 0.0705743292 0.0322799400 0.2817375897 0.0305557203 -0.0317643845 0.1477281767 0.2056585109 0.0821890896 0.0277993150 -0.0053569028 0.0393860952 -0.2487255238 0.0827913820 0.2639095754 0.2903042081 0.1523377765 0.0140611090 -0.0485645558 -0.3085814561 -0.1621012499 -0.1389640239 -0.1898656319 -0.1199450508 -0.0400295633 0.0040550104 -0.1468899718 0.0021512795 0.0081809073 -0.1471809316 0.0001416704 0.0606690846 -0.0304514196 -0.0358681647 -0.0288764528 -0.0017479644 -0.0205558922 -0.0919086450 -0.0862700774 -0.0135732298 0.0033115903 0.0199503273 -0.1303492964 -0.0530698321 0.0404844807 0.0253278779 0.0327951098 0.0240922482 0.0130697903 0.0132739958 0.0093062610 0.0789551239 0.0503807370 -0.0088060875 0.0123422185 0.0788470940 0.0769093529 -0.0415893751 0.1086749193 0.0508348765 0.0295189911 0.1126084094 0.1327352241 0.0241481087 0.0171933999 0.0502019908 0.0030232656 -0.0179968364 0.0241911680 -0.0218252461 -0.0666028848 0.0802164174 -0.0007797581 0.0200430083 0.0039540616 -0.0732690829 -0.0455381365 -0.0387187117 0.0344552978 0.0318978592 0.1335787291 0.0712907626 0.1069627864 -0.0743629195 -0.0329502290 -0.0137168640 -0.0039155295 -0.0417222933 -0.0171808903 -0.0041594750 -0.0561507041 -0.0019522419 0.0001936833 -0.0240373146 -0.0233014947 -0.0012055217 -0.0257802390 -0.0153066845 0.0095093415 -0.0400117950 -0.0292863437 0.0109113445 0.0471159874 0.0265898624 0.0024668862 0.0196514880 -0.0239032284 -0.0180848177 -0.0326050972 -0.0716602727 -0.0274607654 -0.0395424095 0.0126551224 -0.0762194244 0.0503416668 -0.0818608003 0.0697024472 0.0417079320 -0.0234932280 0.2319227891 0.1618128925 -0.1928383776 0.0733476810 -0.1194821247 -0.0037671190 0.0023732952 -0.1397812203 0.1312985153 0.0070736587 -0.2356501300 -0.1045352207 -0.0171708340 -0.1223919981 -0.0264317283 0.0001778049 -0.1781338983 -0.0089693779 0.0149769408 -0.1115402688 -0.1057230546 0.0334521113 -0.0049256017 -0.0141257785 -0.1010133764 -0.1578654613 0.0135921598 0.1564157185 0.3710477714 0.1106454459 -0.1189105453 -0.1145735470 -0.1643456242 -0.4386670563 0.0052405430 0.0107725890 0.0094924230 0.1270591156 0.0925444802 -0.0035361921 0.0997110555 0.0772696958 -0.0060925990 -0.0031950297 0.0033882749 0.0008032806 -0.0327993419 -0.0064701446 -0.0358220702 -0.0402794397 -0.0255147846 -0.1293496804 -0.0452762053 -0.0055348205 0.0022461184 -0.1005598632 -0.0270712363 -0.0018565863 0.0574206090 0.0349623989 -0.0091768500 0.0686217730 0.0379585711 -0.0332716084 0.0888903117 0.0520086042 -0.0370447029 0.0602421675 0.0430006898 0.0326830220 0.0536115295 0.0601399266 0.0147043527 0.0660735272 0.0533121478 0.0362951694 0.0079568206 0.0011112224 0.0224122825 -0.0067163815 -0.0275303783 0.0352795955 0.0636117770 0.0695982616 0.0195266545 0.0205096884 0.0095057071 0.0102901672 -0.3850890464 -0.2652132441 -0.1211456689 0.2358249427 -0.0562386623 0.5403648334 0.2857263932 0.3678874086 -0.2979551807 -0.0466582216 -0.0043136516 -0.0775852216 -0.0697472232 -0.0631977676 -0.1359536758 -0.0789020211 0.0730066336 -0.1053077218 -0.0141310891 -0.0139488520 0.0116885506 0.0422421557 0.0315165654 0.0525117078 -0.0646133408 -0.0810872317 0.0677399990 0.0062589372 -0.0045716562 0.0149188587 -0.0156787112 -0.0019366087 -0.0244501787 -0.0143806452 -0.0228417660 -0.0265848044 -0.0042109059 0.0048541617 -0.0442330856 -0.0151222826 0.0117556614 -0.0121034381 -0.0205586329 0.0001656728 -0.0284586205 -0.0135815422 0.0326831103 -0.0112767896 0.0117233832 -0.0025538882 0.0042102740 0.0123119301 -0.0244687084 -0.0054282167 0.0281812621 0.0141137896 0.0109404914 0.0292062588 0.0116333800 0.0052306184 0.0546528628 0.0068352610 -0.0129976110 0.0303243120 0.0396507113 0.0102195627 0.0017698539 0.0080909699 0.0284038732 -0.0208337245 0.0157410114 0.0422520619 -0.0040073894 0.0294959617 0.0245272179 0.0036163877 -0.0224882996 0.0394586821 0.0300741581 -0.0182189978 0.0123286609 -0.0316644559 -0.0101529812 -0.0040842861 -0.0384410498 0.0081591573 0.0010176400 0.0227361780 0.0157854267 0.0272389361 0.0045072267 0.0013150670 0.0025153888 0.0067988125 -0.0001480976 0.0114075442 0.0080859727 0.0037561283 -0.0012188386 0.0082728738 0.0031845190 -0.0001908316 -0.0049470494 -0.0017173394 0.0002154444 -0.0059413463 -0.0020818688 0.0021419675 -0.0072080071 -0.0028547022 0.0021726882 -0.0056671240 -0.0019843934 -0.0024732704 -0.0050188270 -0.0061109485 0.0020556864 -0.0063538299 -0.0032568241 -0.0030214180 0.0006598692 0.0033820112 -0.0020279734 -0.0065178637 -0.0055328297 -0.0064507120 -0.0065597922 -0.0082509318 0.0001715843 0.0003638257 0.0031352079 -0.0020811896 0.0052667266 0.0031862914 -0.0042836391 -0.0024500218 0.0063266225 -0.0046403783 -0.0013748505 0.0032234416 -0.0013660730 0.0002147723 0.0003544565 0.0013928802 0.0008957319 -0.0000860833 0.0011747401 0.0004628340 0.0004677542 0.0011622741 -0.0003899997 0.0005800217 0.0006836538 -0.0008966274 0.0004395033 0.0006734417 0.0006977596 0.0006135087 -0.0000062672 0.0007935688 0.0022356054 0.0005911274 -0.0026975095 -0.0001634548 0.0034231564 -0.0034799943 -0.0024265891 0.0031153593 -0.0007176832 0.0005040381 0.0013526326 -0.0038789800 0.0018929764 0.0007215131 -0.0022186852 0.0014644667 -0.0039526888 -0.0087446676 0.0032755067 0.0004163366 0.0003249738 0.0013371100 -0.0009952486 -0.0003570662 -0.0013706719 -0.0045413275 0.0009337842 0.0026040225 0.0004246176 0.0040069747 0.0022487627 -0.0009247949 0.0081966983 0.0006133173 -0.0009571459 0.0041053339 0.0061097492 -0.0005080758 -0.0010279876 -0.0007963982 -0.0003813527 0.0091407664 -0.0022462831 -0.0195125398 -0.0224862019 -0.0134310331 0.0016331744 0.0052215217 0.0107421302 0.0183176506 0.0066897903 0.0065020203 0.0007424801 -0.0025708257 -0.0007201906 0.0024560601 -0.0020305050 -0.0017465220 0.0021868593 -0.0021926550 -0.0004710158 0.0002512341 0.0081032408 -0.0103579611 -0.0110735705 0.2335933957 -0.5148465987 -0.1364708376 0.3473007798 0.3885987249 0.0707996470 -0.5095102431 0.0219449213 0.0148748834 -0.0384082342 0.0714641570 0.0111470846 -0.0019171862 0.1390739298 0.0861866513 -0.1256182798 0.1198498817 -0.0339529520 0.0137452791 -0.0413392144 -0.0126463048 0.1341329561 -0.0833022689 0.0147603313 -0.0564520564 -0.1416493939 -0.0760531942 0.0114975959 -0.0119196623 -0.0025172188 0.0012582741 -0.0165916407 0.0119966852 0.0151183563 0.0059281556 -0.0155008313 0.0396516139 0.0056635226 -0.0221468121 0.0452709432 -0.0247282569 -0.0597312250 0.0320550326 0.0492638478 0.0359451328 0.0796624938 0.0477727609 -0.0621569099 0.0049043548 -0.0441347242 -0.0006242372 -0.0403656131 -0.0619226312 -0.0031997305 0.0069414981 -0.0162999825 -0.0167555880 0.0241685898 -0.0553973340 0.0478697779 0.0448070736 0.0043223232 0.1247727264 0.0423196245 -0.1532790964 0.0725896659 0.0018350204 -0.0100254373 -0.0307040081 -0.0074440830 0.0159599719 0.1359929428 -0.0023394185 0.1785817635 0.1533979524 -0.0075549019 -0.0484543121 0.2812895902 -0.0337071731 0.0051704911 0.0438396557 0.0004060061 0.0227024615 0.0107747012 -0.1105756772 -0.0211336115 0.0375968569 -0.0190675522 0.0258635532 -0.0113477594 -0.0327085989 0.0281361496 -0.0518666360 -0.0427501549 0.0148338454 0.0018889325 0.0149019917 0.0153509949 -0.0091420232 0.0419858722 -0.0034186655 0.0188455284 0.0173067540 0.0331127166 -0.0024736698 -0.0143884920 -0.0278465561 -0.0443469733 0.1984448832 -0.0669927221 -0.3873498194 -0.3580705117 -0.2778824311 -0.0036753006 0.0850548624 0.2243988211 0.2427696086 -0.0019670519 -0.0184101512 -0.0295341888 0.0156882568 -0.0189346450 0.0015215541 0.1013594895 -0.0440059725 -0.0075443652 -0.0042312595 -0.0159452957 -0.0174933510 0.0014563217 0.0266003407 -0.0785756082 -0.0260054476 0.0539740407 -0.1549276363 -0.0407185469 -0.0128439780 -0.0609337802 -0.0105566385 -0.0036161197 -0.0392846308 0.0874296651 0.0733235037 -0.0431785151 0.1036049311 0.0804523419 -0.0678571115 0.1219299973 0.0977243841 -0.0813437677 0.0776546061 0.0858126271 0.0103025994 0.0507559386 0.1051240025 -0.0086925742 0.0966159820 0.1123314005 0.0147847277 -0.0335290465 0.0212210885 -0.0008020288 -0.1360888724 -0.0778958794 0.0506216908 -0.0384580313 0.0508808355 -0.0279322176 -0.0651592917 -0.0294508258 0.0150290977 -0.2602383260 -0.1417001917 -0.0250584578 0.0542464317 -0.1565831000 0.1410043593 -0.0698633930 0.1122273674 -0.0577316057 0.0127585833 0.0618700077 0.0050633672 -0.0226244749 0.0056096010 -0.0452584782 0.0580167116 0.1205585960 -0.0477354116 0.0655814217 0.0307871872 0.0990903683 0.1493750265 0.1588935827 0.2468404298 0.1416253195 -0.1943605137 0.1358239815 -0.0089848866 0.0241527360 -0.0920336738 0.0279809840 0.0331880823 0.1077564148 -0.0016239194 0.1768947606 0.1209482475 0.0148707786 -0.0213630390 0.2366367196 0.0322598600 -0.0288460846 0.0695375675 0.0351003604 0.0020224674 0.1358710615 0.0304972520 -0.1230399687 0.0660864864 -0.0154092832 0.0177984889 -0.0127859973 -0.0175676631 0.0557019666 0.0007886553 -0.0533232212 -0.0264425165 -0.0389865536 -0.0558788962 -0.0139482271 -0.0168163285 -0.1035791320 -0.0131677267 0.0460098554 -0.0605844704 -0.0725706402 -0.0372423512 -0.0111196593 -0.0320973939 -0.0912897101 0.1498917689 -0.0686351611 -0.3044234873 -0.1745099585 -0.2167478229 -0.0602063112 0.0358961524 0.1689054049 0.0307304050 -0.0158436296 0.0152157177 -0.0891886431 0.0629687845 0.0139735274 -0.0328904907 0.0788730786 -0.0900100197 -0.0613663226 -0.0499507998 0.0289574175 -0.0481409038 -0.0129803762 -0.0278091320 0.0644922495 -0.0017426535 -0.0330048635 0.1112473436 0.0043792267 -0.0108740254 0.0583403881 0.0019824606 -0.0063700415 0.0355695546 -0.0617050669 -0.0656050102 0.0378765318 -0.0743236122 -0.0733622326 0.0502572034 -0.0837743648 -0.0874294817 0.0700364407 -0.0538963999 -0.0724062907 -0.0078497733 -0.0307254124 -0.0718826560 -0.0103568584 -0.0672309981 -0.0890209046 -0.0072833634 0.0155185006 -0.0356061177 -0.0022513117 0.1327123816 0.0959470532 -0.0204242437 0.0153675070 -0.0516224369 0.0113022877 -0.1595298281 -0.0784162297 0.0617118740 -0.4615955673 -0.1429732526 0.1256035923 0.0396352696 -0.4063656519 0.0542672934 -0.2960666869 -0.0118348387 0.0871277854 0.0513512405 0.2076489309 -0.0192211399 0.1155593752 0.1719747027 -0.0853368108 0.1002453276 0.2081976909 -0.0427394171 0.0939470299 0.1330584184 -0.0414687037 0.2146422543 0.1221749693 -0.1082551670 0.1797014369 0.1096701234 -0.0839568575 -0.0157726621 -0.0605464520 0.0271860104 0.0491207223 -0.0480443937 -0.0035112965 0.0783399353 -0.0834680048 -0.0053094136 0.0677291327 -0.0411605532 -0.0272661750 0.0394427080 -0.0004755005 -0.0188636809 0.0634985947 0.0115276405 -0.0391377718 0.0254559658 0.0208499434 -0.0189802025 0.0136360747 0.0017345793 -0.0004046379 0.0143992633 0.0215295357 0.0120179816 0.0057643217 -0.0039083475 -0.0001773582 -0.0051982915 -0.0062383670 -0.0003644765 -0.0207523940 -0.0009885090 0.0031182238 -0.0082009679 -0.0187717289 -0.0111839126 -0.0009758829 0.0043229033 0.0111141698 -0.0399122959 0.0108860459 0.0772189511 0.0593968122 0.0552521615 0.0026802173 -0.0183662762 -0.0439056258 -0.0384645999 0.0187589116 -0.0190129250 0.0253496683 0.0024621437 -0.0670799669 0.0316532974 0.0110158152 -0.0483312425 0.0362181304 -0.0681118228 -0.1097561146 -0.0046402821 0.0177818787 0.0240851712 -0.0498925276 0.0171941243 0.0169248964 -0.0719958162 0.0169234208 0.0224763166 -0.0510831655 0.0047976845 0.0121885518 -0.0332865747 0.0385746217 0.0478195637 -0.0313620704 0.0482004790 0.0553184533 -0.0371044649 0.0524295706 0.0628306255 -0.0533992066 0.0315946916 0.0509934141 0.0022030077 0.0020412868 0.0651530928 -0.0106305898 0.0442019536 0.0705292063 0.0188908966 -0.0200488992 0.0006738058 -0.0034166008 -0.0701632513 -0.0428269901 0.0253191056 -0.0433889517 -0.0073304748 -0.0169269879 -0.0437469739 0.0126879602 0.0279262504 -0.0463925065 0.0406492842 0.0613532841 -0.0411562156 -0.0102634418 -0.0071095170 -0.0583572585 -0.0258551105 0.0546050466 -0.0320793888 0.0329392011 0.0005689022 0.0174348203 0.0632388281 0.0164692139 -0.0572865849 -0.0084873124 0.0345541893 -0.0521912916 0.0399284021 -0.0734069264 -0.0916735188 -0.0562164026 -0.1947924352 -0.1058474721 0.2081593233 -0.1016116978 0.0272750245 -0.0096226238 0.0195028364 -0.0288298588 -0.0368864486 -0.0769242683 -0.1144219709 -0.1460707830 -0.0945328853 -0.0185618276 0.0165767200 -0.2016007087 0.0206217224 -0.0466826292 0.0909204859 -0.0122730812 -0.0085921591 0.2511603980 0.1722524202 -0.1544815792 0.0974046732 -0.0626546022 0.0228802180 -0.0016579438 -0.1156489389 0.1112419886 -0.1235149964 -0.1922822903 -0.0601974348 0.0252739927 0.0820002068 0.0678299723 0.0033688699 0.2136768730 0.0240690921 -0.0265502826 0.0993756795 0.1679571664 0.0676097125 -0.0146972045 -0.0254947009 -0.0345174728 0.1080608355 -0.0267067729 -0.3584348059 -0.3326797095 -0.2638612808 0.0044462656 0.0773316637 0.1305627846 0.2431316902 0.0508504614 -0.0655383697 0.0170734218 0.0120887998 0.0261182045 -0.0335490502 -0.0204674992 0.0554592435 -0.0241550566 0.0317928980 0.0163035006 0.0380253400 -0.0114334689 -0.0102330687 0.0162552464 -0.0178035105 -0.0017219239 0.0044626147 -0.0213897833 -0.0186752194 0.0223209191 -0.0113014346 -0.0129197398 0.0194899805 0.0009103154 -0.0096531085 0.0145742752 -0.0036080148 -0.0157086111 0.0106215149 0.0048133155 -0.0131577183 0.0182753692 -0.0006037773 -0.0034499104 0.0057323612 0.0037327813 -0.0033367830 0.0050043422 -0.0004997444 -0.0033717493 0.0042113950 0.0087114606 -0.0015739061 0.0006291471 0.0230398617 0.0061319443 -0.0131055522 0.0144352895 -0.0041891418 0.0085918770 -0.0441501561 0.0293432699 0.0326783943 -0.0310037750 0.0586806157 0.0606774202 -0.0541039365 0.0371431618 0.0160644749 -0.0321359226 -0.0099622245 0.0478459575 -0.0575440151 0.0145707096 0.0027910923 -0.0141204389 0.0501492593 0.0277949066 -0.0924600051 -0.0329623220 0.0447030681 -0.0808285886 0.0371573327 -0.0690958868 -0.1427165072 -0.0778639821 -0.2064464262 -0.1715764672 0.2469539606 -0.0900419176 0.0159684029 -0.0229275892 -0.0215423923 0.0075546740 0.0620584491 0.0836081637 -0.0139277478 0.2186020546 0.0978274426 0.0613251491 -0.0157486129 0.2373809314 0.0178232950 0.0280114594 0.0539980696 -0.0275119092 0.0005602792 0.0791100317 0.0187992188 -0.0253283930 0.0523413724 0.1267445649 0.0046323377 0.0262665868 0.2192338895 -0.1872683249 0.2183797629 0.3412948398 0.0860491181 -0.1195897666 -0.1065091152 -0.0100525204 0.0016799684 -0.2465102372 0.0159380762 0.1042760179 -0.1341026401 -0.1514980424 -0.1040598028 -0.0037182075 0.0053285632 -0.0918937530 0.0039367530 -0.0038687730 -0.0512492452 0.1629855079 -0.0258382945 -0.0848640176 -0.0526399879 0.0418275731 -0.2604187403 0.1158392426 -0.1316056406 -0.0329909930 -0.0620654346 -0.0560765271 -0.0479097890 -0.0145836782 -0.0719498025 -0.0536084440 0.0742791661 0.0633939799 0.0568398900 0.0278907045 0.0192543992 -0.0196579885 0.0443378426 0.0103029929 0.0470375956 0.0542679118 0.0367517224 -0.0490938722 0.0594141864 0.0338091285 -0.0415056187 -0.0303228667 0.0010699200 -0.0272880163 -0.0299434396 0.0030535083 -0.0204793832 -0.0313115205 -0.0008147751 -0.0244009388 -0.0245542108 -0.0042363665 0.0025951911 -0.0507884082 -0.0060252165 0.0089598890 -0.0311754474 -0.0044895747 0.0377471221 0.0098106448 -0.0022583458 0.0124277549 -0.0218978324 -0.0221066639 0.0230334607 -0.0369598095 -0.0534223411 0.0119510270 0.0484062251 -0.0161003058 -0.0264816599 0.0597306767 -0.0272399125 -0.0445102566 0.0408062709 0.0067492027 -0.0074169227 0.0624757688 0.0006772827 -0.0413975966 0.0341925224 -0.0261999713 -0.0095772996 0.0080043899 -0.0445503976 -0.0219151570 0.0587200085 -0.0012729791 -0.0339984829 0.0328349718 -0.0162364160 0.0440643865 0.0572645183 0.0385162146 0.1127994633 0.0676292204 -0.1165941017 0.0587419768 -0.0438507873 0.0093161298 0.0258260107 -0.0042806172 -0.0175938279 -0.0977631002 -0.0692186642 -0.2349087619 -0.1250878861 0.0466502022 0.0606598426 -0.2961106485 0.0686783285 -0.0137869995 0.0942741436 -0.0187296118 -0.0164269390 0.2681207432 0.2556615817 -0.1267594409 0.1035263503 0.0815155386 0.0142303864 0.0267382105 0.1229064747 -0.0781512446 0.1089059132 0.1681426083 0.0177214553 -0.0856671251 -0.0141549350 0.0498030681 0.0070341538 -0.0282737337 0.0399812877 0.0589017362 -0.0267639230 0.0132149755 -0.0347678719 -0.0069752793 -0.0064255677 -0.0912751937 0.0210800082 0.0025417134 -0.2142106795 -0.0127016704 -0.1500977256 -0.0662386436 -0.0062943073 0.0608166241 -0.1005614606 -0.0709060580 0.0909784731 0.0244514636 -0.0692836512 -0.0233676367 0.0225302047 -0.1204510130 0.0222120205 0.0354065216 -0.0318771032 -0.0187080491 -0.0149930208 0.0932363068 0.0644377599 -0.0730700543 0.1396721984 0.0539940628 0.1520612466 0.1684767233 0.1101436932 -0.1686234498 0.2142081000 0.1165937381 -0.1530623833 -0.0922347962 -0.0039887290 -0.0971193125 -0.0963601329 -0.0082767427 -0.0870796165 -0.0692456510 -0.0141862919 -0.0868823950 -0.0765459243 -0.0071529869 0.0266829585 -0.1704110279 -0.0100709156 0.0473108794 -0.0964158598 -0.0068045380 0.1343889521 0.0406103677 0.0008892085 0.0671465356 -0.0169667283 -0.0583008085 0.0774246817 0.0267608252 -0.0233504162 0.0728028088 0.0421023371 -0.0172429186 -0.0236014737 0.0399373785 -0.0234346086 -0.0297226433 0.0435341200 -0.0134856783 -0.0130642227 0.0486320475 -0.0085196663 -0.0310216515 0.0371017503 -0.0078244849 -0.0185482486 0.0346766859 -0.0197935936 -0.0314275574 0.0575621205 0.0063592383 -0.0357488408 0.0278423600 -0.0026861345 0.0102839011 0.0523979773 0.0116050727 0.0207063859 0.0509995285 -0.0379324169 0.0090798391 -0.0392679847 -0.0139543202 0.0398654447 -0.0362513254 0.0024901777 -0.0411142266 -0.0864235811 -0.1304164579 -0.0592235903 0.0255997677 0.0446415770 -0.1627837279 0.0074102760 0.0130290066 0.0824676908 -0.0668541477 -0.0167429071 0.1620586785 0.1114859197 -0.0451112088 0.0878934841 0.1076326376 0.0034649282 0.0409489174 0.1839381320 -0.1954885688 0.1776035009 0.3009910189 0.0684557840 -0.1055492024 -0.0399162009 0.0491914806 0.0147761236 -0.0777057964 0.0469570745 0.0735608363 -0.0575702544 -0.0084952145 -0.0468495510 -0.0062738983 0.0043147686 -0.0991567822 0.0087134675 0.0134604492 -0.1888581422 0.0553518024 -0.1272384192 -0.0755439596 -0.0252982789 0.0627513934 -0.1722985054 -0.0183989647 0.0406944072 0.0393889000 -0.0876504799 -0.0287717034 0.0180720140 -0.0859753113 0.0381424896 0.0365612523 -0.0355965602 -0.0506631909 0.0082342361 -0.1003633418 -0.0703509375 0.0878941876 -0.1558640274 -0.0531765324 -0.1669897035 -0.1903404300 -0.1275425087 0.1968556746 -0.2339759841 -0.1312032384 0.1808407706 0.1086703712 0.0078116256 0.1125553590 0.1124487076 0.0120253183 0.1020266458 0.0796336805 0.0199351288 0.1010224230 0.0839567132 0.0149339794 -0.0359154388 0.1937018716 -0.0179583650 -0.0197037099 0.1066045762 0.0044551483 -0.1909339246 -0.0320697509 0.0511464723 -0.0783560862 -0.0300644118 0.0439508157 -0.1136611947 -0.0603959843 0.0223252063 -0.0822104204 0.1087108017 -0.0554582384 -0.0645130768 0.0935962571 -0.0546883028 -0.0571709130 0.1202937581 -0.0742972943 -0.0662047936 0.1056636141 -0.0552259993 -0.0632953338 0.1106629361 0.0109934471 -0.0660449510 0.1728954964 0.0072976036 -0.0953176835 0.1477445010 0.0142336289 -0.0836897501 0.0531985298 0.0184818024 -0.0586571475 0.0973213923 -0.0037399270 -0.1139672490 0.1107850218 0.0345311369 -0.0944652692 -0.0008144525 -0.0154446543 0.0581263224 -0.1431653700 0.1554145780 0.0053569155 -0.2107709801 0.2878363462 0.0136641334 -0.2269522455 0.1281216598 0.0945675305 -0.1560690811 0.0238645842 0.0077670449 -0.2107054894 -0.0454389036 -0.0495586905 -0.1872658352 0.0642468256 0.0063975483 -0.0209859388 -0.0305308335 0.0271214015 0.0148055877 -0.1833139950 0.0596288982 0.1095745734 0.0461023529 -0.0104518206 -0.0203048855 0.0204537812 0.0210140076 0.0149750532 0.0162105918 -0.0114363740 -0.0138311696 0.0459914001 0.0428839943 0.0015263450 0.0119621591 -0.0226793381 0.0143910591 0.0122898236 -0.0616758201 0.0285588222 -0.0407595680 -0.0127937631 -0.0068446853 0.0442184552 -0.0562209921 0.1009438037 -0.1223730450 0.0663604858 0.0775510542 0.2414283956 -0.0646051562 0.0099759247 0.2868342955 -0.0445359875 -0.1491278812 -0.1809432978 0.0259386942 0.0183006795 0.0083753589 -0.0027077466 0.0340297640 0.0089683399 0.0831076889 0.0438848049 0.0248379739 -0.0341319662 0.0662336916 0.0322704931 -0.0389933324 -0.0499372702 -0.0252736271 -0.0202463327 -0.0582035364 -0.0349810586 -0.0193598539 -0.0370494886 -0.0367491023 -0.0067885296 -0.0342259820 -0.0218259641 0.0232920396 -0.0468001099 -0.0401812753 0.0498023510 -0.0538859819 -0.0365872903 0.0519444800 0.0362047841 0.0220327319 0.0440636535 0.0431271068 -0.0077800231 0.0205800731 0.1782095264 0.1495730998 0.0686326448 0.0574887199 -0.0176167438 -0.0295073379 0.0755257398 -0.0133412087 -0.0327903589 0.0454913193 0.0111216311 -0.0146999707 0.0838659640 -0.0202236089 -0.0398013649 0.0343205081 -0.0121878947 -0.0273308799 0.0593728846 -0.0137427902 -0.0398004495 0.0644287924 -0.0092120000 -0.0421020823 -0.0129768092 0.0356204669 0.0042587303 -0.0166861296 0.0113616048 -0.0285807660 -0.0190244238 0.0698053421 -0.0036839548 -0.0610075730 -0.0087380947 0.0253881974 0.0363425676 0.1157785290 0.0013429761 0.0372048381 0.2250345346 0.0135398860 0.0652726519 0.0517750235 0.1359868937 0.1034227078 0.0059981130 0.0384115029 0.0113395095 0.0700268228 0.3916704936 0.2999925670 -0.3007708708 0.0407946862 -0.0082133121 0.0719450640 -0.1011902785 -0.0760974288 0.2935235054 -0.1964403914 -0.2276693391 -0.0225313264 0.0223607476 0.0092319828 -0.1185632378 -0.0800747905 -0.1302207254 -0.0939441728 0.0265591907 -0.0031465099 -0.2221274356 -0.1296722716 0.0114632245 -0.0393915669 0.0718818662 0.0438404863 -0.0806524015 0.2391258729 -0.0850744651 0.1691156546 0.0336789804 0.0425940430 -0.0724632936 0.1799247101 0.0201041988 -0.0113861693 0.0175499420 -0.1037855311 -0.0188189382 -0.0187468620 -0.1306426773 0.0299820922 -0.0049441714 -0.0482912249 -0.0161859792 0.0421772302 -0.0056489416 -0.0050610294 0.0134784825 -0.0068767337 -0.0052363458 0.0079457094 -0.0079151845 -0.0060360995 0.0182646590 -0.0106625401 -0.0064880095 0.0163288388 -0.0026927496 -0.0036441195 0.0088638752 -0.0011176893 0.0002369101 0.0135569024 -0.0153108072 -0.0028854038 0.0104654540 -0.0018710148 -0.0049225841 -0.0067522474 0.0106637001 -0.0408541789 0.0316812521 -0.0020241547 -0.0153370328 -0.0406002781 0.0155877376 0.0452740940 -0.0028806678 -0.0315593493 -0.0074870056 -0.0211068241 -0.0121667594 0.0064679059 0.0030046723 -0.0405433441 0.0168242505 0.0232752783 -0.0626029781 0.0131414090 0.0294555393 -0.0255180848 -0.0147395636 0.0098875449 -0.0638814225 0.0168164192 0.0337392225 -0.0219744837 0.0115188648 0.0166682974 -0.0454112178 0.0090271836 0.0246283185 -0.0396343485 0.0005375472 0.0283417076 0.0202056423 -0.0352297267 -0.0069977915 0.0460287308 -0.0078606708 0.0243676537 0.0476998593 -0.0868763433 -0.0059347311 0.0385270767 0.0232396843 -0.0216364067 0.0287692556 -0.0352631371 0.0211326640 0.0311719332 -0.0647025304 0.0163557469 0.0012208289 -0.0110236184 -0.0198529645 0.0160049193 -0.0056014559 -0.0092491737 0.0469537355 0.0035030312 -0.0564407105 -0.0250993273 0.0277274620 -0.0104735632 -0.0011562378 -0.0003127242 0.0039193875 -0.0043782855 0.0150688652 0.0031074483 -0.0068703812 -0.0045398326 0.0037301256 0.0004155508 0.0057073987 0.0040147864 0.0045626016 0.0054129368 -0.0017711599 0.0023665601 0.0075027808 0.0087807259 -0.0021144687 0.0023139805 -0.0014245474 -0.0075167921 0.0055341112 -0.0063221934 0.0023586668 -0.0037638346 -0.0005870695 -0.0039183679 -0.0008199107 -0.0058327801 -0.0062087977 -0.0209978313 -0.0340666826 0.0380708001 -0.0076148814 0.0032634397 0.2157168998 0.0781194531 0.0199946424 0.0308610991 -0.0139653408 -0.0438587606 -0.0132565175 -0.0216957218 0.0609270667 -0.0060743498 -0.0074581661 0.1435378648 -0.0024317152 -0.0124238068 0.0570500263 0.0307445888 0.0087084534 0.0186731528 -0.0705333815 -0.0630023345 0.0097989813 -0.0946234614 -0.0880547156 0.0155053839 -0.0711734921 -0.0845020479 0.0404987256 -0.0369196401 -0.0425422389 0.0077198096 0.0931528266 -0.2834910398 0.2738006023 -0.0997943715 -0.1770696529 -0.2152155293 0.1475147895 0.3330804269 0.0767834446 -0.1225368505 -0.0905004663 -0.0995006118 0.3639282356 0.4872598111 0.1460480819 0.0829350648 -0.0286546612 -0.0447728395 0.1350579125 -0.0203056553 -0.0591812584 0.0490913864 0.0465780173 -0.0116388621 0.1421622587 -0.0298364428 -0.0703484079 0.0380401290 -0.0165525116 -0.0329873684 0.1027096231 -0.0194446720 -0.0641755910 0.1081821421 -0.0014863839 -0.0716220425 -0.0734004074 0.1124119432 0.0416174690 -0.1159136936 0.0667590988 -0.0075952463 -0.0991932835 0.1881320563 0.0316289353 -0.0749031970 0.0070552212 -0.0087311472 0.1099277228 0.0052168441 -0.0079296106 0.2581394237 0.2151236865 0.0283931237 0.0033524869 -0.0782539155 0.2296304794 0.1269145100 -0.1131075130 -0.1153097608 0.1152672606 -0.1760179000 -0.2535887937 0.1046638436 0.0933773339 -0.1086003723 -0.0492705676 -0.1198159367 0.0840948070 -0.0700550818 0.0803769348 0.1203007560 -0.1630223657 -0.2316582826 0.0374087597 -0.0207521252 0.0840791476 0.0921491316 0.1701805736 0.0626418633 -0.0987105131 0.0117885313 0.2520230710 0.2054439702 -0.0138902664 0.0318367488 -0.0343497243 -0.0272481233 0.0640683737 -0.1997939974 0.0698686718 -0.1722149101 0.0029813597 -0.0425815106 0.0806262659 -0.1351005039 0.0211543112 -0.0167966201 -0.0203256211 -0.0337821375 -0.0432420159 0.0001653354 -0.0651664190 -0.0777551637 -0.0108330005 -0.1152169071 0.0432738371 0.0730126707 -0.0006390346 -0.0003992632 0.0035029479 -0.0000907908 -0.0000182323 0.0086747527 0.0004104321 0.0010970874 0.0049976628 0.0006632027 0.0018292724 0.0008640503 -0.0025675184 -0.0025129001 0.0004668274 0.0003814320 0.0021566128 0.0033508192 -0.0099558190 -0.0005164705 -0.0004816077 -0.0002941093 -0.0041670335 -0.0000749201 0.0131284071 -0.0382083066 0.0362926571 -0.0004781350 -0.0141868704 -0.0333489278 0.0087358786 0.0327183639 0.0053077337 -0.0211765986 -0.0034236671 -0.0146886109 -0.0180173803 -0.0042971037 0.0126323906 0.0736615953 -0.0279871864 -0.0414063060 0.1358406825 -0.0202283863 -0.0613179374 0.0339543759 0.0547043050 -0.0114721490 0.1303316487 -0.0263540742 -0.0673097349 0.0316114171 -0.0144124954 -0.0250346984 0.1127236909 -0.0122698541 -0.0565552916 0.0978782070 -0.0009984381 -0.0609941595 -0.0848122070 0.1210566934 0.0405150538 -0.1371173284 0.1078483261 0.0396152302 -0.0895512035 0.1499193429 0.0369169366 -0.0309304736 0.0363626261 -0.0430841277 -0.0020787399 -0.1626913126 0.0698725090 -0.0779447698 -0.5549438385 0.0159254421 0.0614738659 0.0073024783 -0.3411979270 -0.0422027984 0.0525439431 0.0690073911 0.1033918991 0.1140321522 -0.0803365036 -0.2246532623 0.0857471586 0.0572759925 0.0392705017 0.0689336944 -0.0359892813 0.0413140853 -0.0270934461 -0.0801755031 0.0772479779 0.1105756283 -0.0103236506 0.0208835912 -0.0308903192 -0.0521316675 -0.1069900667 -0.0136739682 0.0666494786 -0.0067392497 -0.1519041054 -0.1456233243 0.0028505288 -0.0108038239 0.0110578373 -0.0164531519 -0.0152406553 0.0919033299 -0.0358428419 0.0927292736 -0.0077864947 0.0165178718 -0.0645249089 0.0630439530 0.0469463984 -0.0708647781 -0.0516905068 0.0844103929 -0.0103710742 0.0749233091 0.1901368748 -0.1547060207 0.0316868022 -0.1430933655 0.0675847733 0.0274309989 0.0050168419 0.0046920154 -0.0112853643 0.0042124442 0.0108450558 -0.0003617958 0.0048532715 0.0043013785 -0.0120871140 0.0153708144 0.0101806632 -0.0196843448 0.0063661965 -0.0016426886 -0.0060138256 -0.0001503552 -0.0145264000 -0.0211776665 0.0366432938 -0.0035021386 -0.0089242380 0.0029129871 0.0007184742 0.0212700155 0.0539557150 -0.0306917743 0.0505339753 -0.0135834427 -0.0326768729 -0.0400668445 -0.0207523072 0.0049305225 0.0265857132 0.0048946255 0.0024702860 -0.0162186915 0.0149615871 0.0255671687 0.0439807272 -0.0126987109 0.0058728988 0.0064392872 -0.0150238997 0.0032856377 0.0045324745 -0.0112950156 -0.0010558802 -0.0005452230 -0.0238344946 0.0083833673 0.0099557161 -0.0041124157 0.0019252795 0.0058326504 -0.0051518232 0.0028658779 0.0096301006 -0.0220676334 0.0019386819 0.0128073505 0.0135520159 -0.0179065404 -0.0113629620 0.0166266487 -0.0003830900 0.0117471034 0.0189305229 -0.0427078749 -0.0050836724 -0.0072132360 -0.0171522162 -0.0000944062 -0.0068252042 0.0259012915 -0.0080954850 0.0091873183 0.0589281668 -0.0024640006 -0.0135882670 0.0124593504 0.0256595209 0.0012656693 -0.0025130122 -0.0056525257 -0.0209158905 -0.0119574148 0.0190273804 0.0251061674 -0.0125383409 -0.0041955730 -0.0033452745 -0.0054836053 0.0022966403 -0.0032290144 0.0017754967 0.0058170887 -0.0092786056 -0.0107962603 0.0014303537 -0.0020990421 0.0016771561 0.0042390060 0.0115222516 -0.0007505168 -0.0059261772 -0.0008932001 0.0161057022 0.0101752269 0.0003892030 0.0002115782 -0.0002847259 0.0044694144 -0.0007698371 -0.0061391423 0.0045060620 -0.0080882262 0.0014044697 -0.0007123516 0.0063215639 -0.0053039007 0.0045039504 -0.0018744505 0.0107520351 -0.0013220553 0.0163068842 0.0099347447 -0.2267007516 -0.1341804842 -0.0209640654 0.0178107196 0.0052107129 -0.0211679993 0.0359731586 0.0400262194 -0.0848858660 0.0408453359 0.0643018135 -0.0007087220 0.0535938288 0.0611108117 -0.0814515712 0.0903077143 0.0893478292 -0.1543010070 0.0479252736 -0.0029595857 -0.0376581153 0.0810935615 0.0145579963 -0.0959043262 0.1427554895 0.0315986869 -0.0965329490 0.0458945991 -0.0540243011 0.1644520633 0.3404298377 -0.3024928218 0.4037149762 -0.0376189136 -0.2644411667 -0.2986008800 -0.1859646233 -0.0089024103 0.1638400489 0.0192776415 0.0453981720 -0.1490308405 -0.1735182116 -0.1536113581 0.3042245307 -0.0170592997 0.0073915722 0.0110711730 -0.0100323540 0.0349829159 0.0400559911 -0.0225268879 0.0103780094 0.0026602156 -0.0068871947 -0.0277589278 0.0255039538 -0.0134838424 -0.0112648924 0.0019903578 0.0776238234 0.1216404093 0.1237006534 -0.0573808730 -0.1901345711 0.1204904023 0.0078267886 -0.0208340348 -0.0684128803 0.1068412971 0.2481567705 0.2750515990 0.1213216125 -0.4430480139 0.0264135650 -0.0394452261 0.0662015874 0.0465523437 0.0071735590 0.0693234890 0.0184572661 0.1144241599 -0.1712195912 -0.0033787663 -0.0569512172 0.1687600427 -0.1768777797 0.0411618495 -0.0173119741 -0.0182920105 -0.0349896023 -0.0763558498 -0.0072187026 0.0610624778 -0.0053520883 -0.0156799527 0.0030192057 -0.0335789256 0.0106116726 -0.0247701371 0.0937364448 -0.0109587727 -0.1018611281 -0.1049947121 0.0229367463 -0.0038554947 0.0053285434 0.0077399848 0.0140860940 0.0088997536 -0.0302929276 -0.0015327395 0.0220041353 0.0133098624 -0.0059860174 0.0078621515 -0.0051027428 -0.0106976843 0.0139124404 -0.0302573362 0.0099386977 -0.0251427011 0.0009370905 -0.0117889078 0.0112612112 -0.0246563085 0.0932422714 -0.1537910157 0.0495166288 -0.0780535816 0.0388861649 0.1884055272 -0.3593636739 -0.1697984095 0.1449119267 -0.0256380572 0.0847944403 -0.2101180333 0.0004802756 0.0003090449 0.0009182378 -0.0089377123 0.0032669416 -0.0433705022 -0.0152885895 -0.0098631997 0.0189137204 -0.0241487994 -0.0087491882 0.0151942617 0.0136845938 0.0064015547 0.0047203098 0.0200478595 0.0228180948 0.0301783870 -0.0297105883 0.0120595816 0.0052646482 -0.0043578180 0.0048369137 -0.0374086676 -0.0564959457 0.0628515978 -0.0952256734 0.0370905257 0.0717170934 0.0263684217 0.0004651406 -0.0137311811 -0.0045534700 0.0090097929 -0.0006954553 0.0160932829 0.1079268758 0.1244268244 -0.0262915108 0.0035690038 -0.0034469053 -0.0031524820 0.0120946145 0.0058028806 0.0035123326 -0.0024919272 0.0119962078 0.0071536172 0.0230398161 -0.0119874630 -0.0070705543 -0.0015033544 0.0000276756 -0.0032344005 0.0270378573 0.0223894257 0.0112634615 0.0126608066 -0.0271537491 0.0057044717 -0.0145001058 0.0188608794 0.0041363747 -0.0067211514 0.0409225006 0.0309748556 -0.0128397719 -0.0130903578 0.0160134526 0.0305421730 0.0126188396 -0.0008539625 0.0354904946 -0.0205590175 -0.0249237751 0.1564172449 0.0668218967 -0.0055401397 0.0296993316 -0.0612475676 0.0692984003 -0.0443773282 0.0420745550 -0.0333005005 -0.0443296608 0.1756175456 0.3068666993 0.2014230417 -0.2057742952 -0.0248954091 -0.0763792665 0.0176865422 -0.0283735031 0.0547530344 -0.3099305625 0.2120841211 0.2813589134 0.2282370748 -0.1305998754 -0.0456921318 -0.0288797199 0.0021785492 0.3565076328 -0.1527412552 -0.1184013165 0.0037895652 0.3177248668 0.1803475437 0.0069899466 -0.0314285682 0.0147988367 0.2151496347 -0.1422767882 0.1321343861 0.0367473407 0.0818073693 -0.0046426808 0.0090632559 0.1775635828 -0.0140704711 -0.0040956485 -0.0115824584 0.0025631230 0.0256974026 -0.0219007393 0.0273954822 -0.0081163711 -0.0624319115 0.0173466499 -0.0202170623 0.0112463597 -0.0105536557 0.0001320867 -0.0004600283 -0.0003288803 -0.0018490012 0.0032692644 -0.0009745354 -0.0018435298 0.0015889945 0.0107664758 -0.0032842663 0.0061521103 -0.0080890511 0.0010938026 -0.0024878357 -0.0005384991 0.0081278180 0.0111887203 0.0150076870 -0.0188751704 0.0065417894 -0.0082195254 0.0000728843 -0.0014148330 -0.0043754144 -0.0090124807 0.0054697462 -0.0097993885 0.0117247762 0.0131874666 -0.0014117569 -0.0021160988 0.0020681646 0.0040363137 -0.0002571884 -0.0006790936 -0.0004480137 0.0239316136 0.0317498710 0.0032609290 0.0053063667 0.0011150746 0.0176311241 0.0858651980 -0.1676556505 -0.2165127744 -0.0355372775 0.0026398440 -0.1037826125 -0.2214607151 0.2154198828 0.0031787986 0.0313048858 -0.0107176591 0.0637040383 -0.1577792925 -0.3799291658 -0.2953972045 -0.0955488475 0.4802392582 -0.1525596230 0.0164879509 -0.0188211796 0.0163599567 -0.2076927816 -0.1670980172 -0.1016852406 0.0869740233 0.2235576336 -0.1195321735 0.0131239047 0.0201799456 -0.0055967125 0.0016777806 0.0219737425 0.0040034827 0.0219152922 -0.0368298541 -0.0015905649 -0.0084246199 0.0470651187 -0.0482628705 0.0007512477 0.0037364238 -0.0007156929 -0.0192482049 -0.0070173160 0.0149564892 0.0115169875 -0.0042116897 0.0000433719 -0.0039006050 -0.0086621424 0.0014352518 -0.0033368710 -0.0011824735 0.0070532096 -0.0078226540 -0.0124758252 0.0000015432 -0.0034854550 -0.0036374374 -0.0017243621 0.0300839401 -0.0117825891 -0.0196534044 -0.0002950876 0.0269055267 0.0104308268 -0.0016879844 0.0002671873 -0.0012215093 0.0145237792 -0.0079914977 0.0054475536 0.0025103884 0.0064154984 -0.0022648706 -0.0023442016 0.0172889608 -0.0063902516 0.0019190444 -0.0219530897 -0.0047431267 -0.0083615995 0.0046290589 0.0398418085 -0.1805999004 -0.1432541876 0.0072947879 -0.0026395373 0.0026541361 -0.0262343439 -0.0013422415 0.0036316429 0.0021408320 0.0065259947 -0.0217101045 -0.0228527803 0.0023339967 -0.0181207188 -0.0656891987 0.0076635934 -0.0485740589 0.0651724170 -0.0040375912 0.0170267573 0.0053943831 -0.0525589507 -0.0712885967 -0.0855850337 0.1016206098 -0.0482837729 0.0674674423 -0.0095486068 0.0134620893 -0.0173140451 0.0690027181 0.0095823446 -0.0269648373 -0.0406001533 -0.0299012192 -0.0417630329 0.0023189744 -0.0038710107 -0.0004032160 0.0051509646 -0.0053566549 0.0095291282 0.0627109732 0.0595011190 -0.0010733290 0.0016580853 -0.0003439007 0.0041889836 0.0205021250 -0.0407961145 -0.0515487308 -0.0081411473 0.0004133782 -0.0240724835 -0.0511120074 0.0506483918 0.0001417475 0.0073845269 -0.0024842006 0.0147688021 -0.0434601605 -0.0915037227 -0.0695773203 -0.0207750481 0.1197631384 -0.0408316114 0.0052546357 -0.0053514836 0.0057336004 -0.0552827161 -0.0488572476 -0.0310517608 0.0176330170 0.0658661684 -0.0290901850 -0.0094592972 -0.0083688402 -0.0030523834 -0.0005007704 0.0014337409 0.0008378415 -0.0014509618 -0.0113797542 -0.0008566698 -0.0038232849 0.0096339634 -0.0176280109 -0.0018768829 0.0003589932 0.0037940384 -0.0020315943 -0.0037562489 -0.0061595432 -0.0094973736 0.0076410608 0.0036241605 0.0008236649 -0.0010736504 0.0011037520 -0.0019422307 0.0016898557 -0.0061685330 -0.0059954853 -0.0051581792 0.0031631160 0.0013861400 -0.0000812987 -0.0014024585 -0.0073827677 0.0025957623 0.0012830485 -0.0002276936 -0.0071233964 -0.0064047036 -0.0000824720 0.0007116531 -0.0007825493 -0.0041674855 0.0026435910 -0.0017142638 -0.0023010142 0.0003684111 -0.0007494033 0.0003839842 -0.0041807291 0.0014796409 0.0024128117 0.0001350206 -0.0058846449 0.0072773013 0.0051123254 0.0053105639 -0.0462675959 -0.0400612060 -0.0043328798 0.0027671991 0.0020000751 -0.0020761414 0.0089375795 -0.0145406328 -0.0076990768 -0.0378649658 0.0958478095 0.0320109641 -0.0308265434 0.0545603339 0.2869662648 -0.0561371117 0.1802454528 -0.2387647769 0.0318241097 -0.0643073486 -0.0167936213 0.2232214684 0.2919007730 0.3604095962 -0.4207982485 0.1945872675 -0.2563745344 0.0176583297 -0.0387379783 0.0117340754 -0.2937188139 0.0357619750 -0.0143090248 0.1938893338 0.2094061220 0.1470069035 -0.0152866593 0.0179761333 0.0188213195 -0.0071530946 0.0094308705 -0.0235565605 0.0240333612 0.0518201582 0.0284041213 0.0097857621 -0.0061812686 -0.0065995838 0.0129581782 -0.0001166695 -0.0014465525 0.0082897848 0.0001577164 -0.0004368550 0.0214775732 -0.0114647270 -0.0087261281 0.0028150617 0.0087186085 -0.0034599616 0.0449746110 0.0231823283 -0.0054785039 0.0250784480 -0.0114834956 -0.0016201035 -0.0238493766 0.0191233003 0.0047367647 -0.0084757471 0.0387741532 0.0226020731 -0.0017493745 -0.0137767614 0.0033648356 0.2782857778 0.1969869976 0.0056360302 -0.0611693951 -0.0830061019 -0.0311059307 0.0454176620 0.2185064296 0.0146093438 -0.1549621151 -0.1947466301 0.2722943019 -0.0091812069 -0.0594691903 -0.0861313148 -0.0133268372 0.0124742790 0.1103301177 0.1245063406 -0.2203420376 -0.0838511176 0.0335166906 0.0896927619 -0.0531156258 0.0418710300 0.0516642605 -0.0487415808 0.0711273550 0.1111122156 -0.0689871978 0.0179663796 0.0766145085 0.0765327577 -0.3315766986 0.1717380549 0.2307370375 -0.0044706445 -0.2558808627 -0.0066582368 0.0347809611 -0.0128981834 0.0425335821 -0.1744196551 0.1066509042 -0.1261650299 0.0368145820 -0.2199889732 0.0806175006 0.0247235078 -0.2101139944 0.0435869253 -0.0757108356 -0.0576654450 0.0304381758 -0.0462974604 -0.0395929808 -0.0048932569 -0.2024024595 -0.1898052539 -0.0437210719 -0.0694109035 -0.0348426131 -0.0051481565 0.0009970082 -0.0022652627 -0.0026373762 -0.0051011258 0.0113354001 0.0012631294 -0.0044781023 0.0043274982 0.0305958417 -0.0050326837 0.0200263744 -0.0294740139 0.0030590642 -0.0075881941 -0.0015247523 0.0145324405 0.0181491260 0.0335692444 -0.0323638014 0.0149892383 -0.0237894880 0.0001147103 -0.0059797408 -0.0093001383 0.0070529752 0.0245025451 -0.0426086106 0.0089750173 0.0064517509 -0.0054787609 -0.0094136761 -0.0053735288 0.0113813345 0.0013800062 -0.0019042597 -0.0038843472 -0.0235174504 -0.0175859613 0.0038599632 -0.0008136232 -0.0002778416 -0.0098163911 -0.0401994837 0.0524504048 0.0699610846 0.0218859285 -0.0149512806 0.0322580496 0.0698095316 -0.0695216268 -0.0042059013 -0.0047998598 0.0084608567 -0.0186466383 0.0154736326 0.0956833867 0.0759244632 0.0369338469 -0.0982162968 0.0219898538 0.0044196897 -0.0044477065 0.0087337083 0.0351945490 -0.0302680406 -0.0420621552 -0.0503772823 0.0376882297 0.0256205374 -0.0450101793 -0.0648131939 -0.0294559150 -0.0117064711 -0.0138846640 -0.0060032398 -0.0240910535 0.0479240314 0.0008082812 -0.0388890716 -0.0257059878 0.0278730517 -0.0150591425 -0.0040331716 0.0013592989 0.0003050974 0.0086213494 0.0042627117 -0.0253845002 -0.0094438503 0.0007257409 0.0022106569 0.0177465688 -0.0082367545 0.0075158729 -0.0235086774 -0.0140963623 0.0181410304 0.0250245743 -0.0146237128 0.0041083591 0.0100921874 0.0064484416 -0.0513415520 0.0229990922 0.0388335812 -0.0042106099 -0.0374283519 -0.0176080719 0.0070226819 -0.0041096167 0.0064481293 -0.0205985255 0.0105408266 -0.0103665138 0.0029473334 -0.0253075129 0.0105521480 0.0076498986 -0.0344867203 0.0126301280 -0.0096265674 0.0303385173 -0.0228238837 0.0672581173 0.0270892193 0.0091913971 -0.6718355440 -0.5147853994 -0.1048626592 0.0230510362 -0.0054024279 0.0498775573 0.0052981015 0.0045140045 -0.0002482946 -0.0089921580 0.0055738640 -0.0781808935 -0.0222421269 -0.0240013750 0.0021925352 -0.0257954671 -0.0267315308 0.0415523702 0.0125966466 0.0095755378 0.0061194814 -0.0126101465 -0.0197091471 0.0050109727 0.0109763080 -0.0152135634 0.0378548785 -0.0161001610 0.0081791620 -0.0480388192 -0.0042135179 0.0346968643 -0.0786402060 0.0043511052 0.0367676518 -0.0478644751 -0.0000673244 0.0108657067 0.0265293329 0.0119022443 -0.0098170536 0.0131885244 0.2562255399 0.2923362837 0.0280009951 -0.0034933620 -0.0014379997 0.0136640042 0.0633848414 -0.0638984721 -0.0901547614 -0.0441908116 0.0398938336 -0.0313372471 -0.0771160808 0.0850013946 -0.0000811968 0.0026682307 -0.0172901324 0.0239138379 -0.0151157404 -0.1096710264 -0.0761022485 -0.0685849397 0.1106624675 -0.0156464723 0.0000179687 0.0128648200 -0.0126932425 -0.0469929040 0.0578735467 0.0718313021 0.0351878370 -0.0464622961 -0.0090971827 -0.1917007175 -0.1459864518 0.0335263082 -0.0439262733 -0.1029142974 -0.0259723300 0.0830883409 0.1512670239 0.0129163934 -0.1520204836 -0.2016587270 0.2347675679 -0.0188969881 -0.0602465533 -0.0987814507 -0.0020577160 0.0526380876 0.1554639957 0.1434123636 -0.2879491534 -0.0980032546 0.0148392017 0.1030048507 -0.0719629427 0.0605725774 -0.0350583927 -0.0052176507 0.1439446592 0.1768173724 -0.1153573448 0.0021362036 0.0800774512 0.0860156196 -0.2367191710 0.1387503095 0.2160334187 -0.0199650656 -0.1518831787 0.0117937248 0.0417643245 -0.0286703887 0.0572397537 -0.1070844317 0.0607252377 -0.0935156371 0.0770280212 -0.2311773545 0.0954764915 0.0266611905 -0.1636536488 0.0291549520 0.0714807089 0.0252646694 0.0299391276 0.0541083593 0.0393589620 0.0017749059 0.2200065113 0.2827981639 0.0642938113 0.0178174338 0.0654574299 -0.0666674817 -0.0004792762 0.0030809542 0.0005533869 0.0067005440 -0.0114825531 -0.0009974905 0.0067400429 -0.0018469750 -0.0332072117 0.0064233594 -0.0173440858 0.0247161825 -0.0016479685 0.0063464988 0.0018767746 -0.0038405390 -0.0091789789 -0.0334383718 0.0269085563 -0.0130776720 0.0214019348 0.0033848162 -0.0024619490 0.0160222723 -0.0124930374 -0.0179808296 0.0342545387 -0.0093489698 -0.0114212834 0.0409581904 0.0015187527 0.0007662593 -0.0127320597 0.0055642857 0.0044172997 0.0020946745 0.0533995480 0.0589059118 -0.0094233579 0.0027149053 0.0034717377 -0.0012152041 -0.0228136046 0.0030607759 0.0102905845 0.0199823909 -0.0303491692 -0.0120578577 -0.0145532461 -0.0035664951 0.0100477025 0.0029620040 0.0044181955 -0.0010325542 -0.0146723021 0.0060764109 0.0081428763 -0.0091151032 0.0011400964 0.0061633132 0.0075840453 -0.0192921487 -0.0062108151 0.0093788251 -0.0254818298 -0.0153176059 0.0057698615 -0.0104067561 -0.0088776072 -0.0014231877 0.0167124318 0.0008737711 -0.0867194079 -0.0486399690 0.0388413836 -0.1896811691 -0.0626115619 0.0294399700 -0.1298503340 -0.0133919221 -0.0216788669 0.0707853157 -0.0554568041 -0.0195717073 0.1341108287 -0.0659296240 -0.1781810559 -0.1541108695 -0.0303449338 -0.0371595626 0.0948894699 0.0833742765 -0.0543125254 0.0499999413 0.3271454740 -0.0711830496 -0.0989296803 -0.0395870020 -0.0175043040 -0.0581477526 0.0034924134 0.0374194854 0.3107835474 -0.1636533078 0.1233728261 -0.0881830863 0.3511227821 -0.0588033513 -0.0330554187 -0.0400638414 0.0401617043 0.3210340548 -0.2112518039 0.1306657495 0.2314687028 0.0100274401 0.0356395637 -0.0866265099 0.3620309398 -0.2078595871 -0.0008928225 -0.0016061153 0.0040159178 -0.0269778624 0.0330447126 -0.0269844019 -0.0584101587 0.0139855620 -0.0307573516 0.0039187421 -0.0081641842 0.0087465016 0.0013406706 -0.0000909628 -0.0009808971 -0.0014374651 0.0037653794 -0.0060837463 -0.0021936043 -0.0008029164 0.0070441175 -0.0022366238 0.0026379453 -0.0039109754 0.0023700095 -0.0001386324 0.0005437801 0.0019448829 0.0013523887 0.0060322632 -0.0002264359 0.0028790750 -0.0027946583 -0.0003785229 -0.0021638761 0.0024391441 -0.0040751167 0.0043295500 -0.0043912938 -0.0074347433 -0.0056428243 0.0174658167 0.0005040311 -0.0021404049 -0.0022038712 0.0022557364 0.0007251709 0.0001579262 -0.0033206302 -0.0034934544 -0.0052829902 0.0012417243 -0.0152871285 0.0217666581 0.1396731849 -0.0980316215 -0.1400364182 -0.0868406254 0.0970955840 -0.0345856580 -0.0753225972 0.1140391668 -0.0135419028 -0.0031535730 -0.0158664821 0.0178621298 0.1280781106 -0.0613863471 -0.0890205514 -0.1025576785 0.0510170896 0.0256051795 -0.0294389168 0.0532548719 -0.0293830275 0.0347644947 0.1938861200 0.1409540803 -0.0003466352 -0.1581863574 0.0363875621 0.0318880381 -0.0351764556 0.0579344008 -0.0227463648 -0.1218327884 -0.0467476495 -0.1347180192 0.3192296391 0.0012689676 0.0269957302 -0.2988825033 0.3393464451 0.0381279170 0.0183116812 0.0621360998 0.1858293621 0.0634724670 -0.1343980616 -0.0053468702 0.2552043682 0.0687157576 0.0083904143 0.0114930556 0.0864421131 0.0046383714 0.0026503251 0.0691521027 0.0075334773 0.0316538635 0.1301747937 0.0324995813 -0.0626838297 -0.0676428753 0.0724767465 -0.0920855812 -0.0223629042 0.0422388198 -0.0252732037 -0.0433332373 -0.0310427103 0.0288984008 -0.0688959635 0.0217721889 -0.0206041622 0.1022357170 -0.1546146445 0.2786090306 -0.1165879711 0.0083886396 0.0518332259 0.0579347626 -0.0013593846 0.0060960181 0.0946873172 0.0084708530 0.0045718269 -0.1041135154 -0.2433346307 0.0477172254 -0.0852022279 -0.0254071573 0.0384723167 -0.0632113577 0.0012781443 0.0005988272 0.0014398435 -0.0009882509 0.0010955874 -0.0107073966 -0.0036235838 -0.0044895363 0.0019217038 -0.0043396808 -0.0043116942 0.0080204296 0.0005178022 0.0006499924 -0.0001093053 -0.0015305489 -0.0015940237 0.0008555691 -0.0010717258 -0.0030397634 0.0051321465 -0.0005079808 -0.0000220708 -0.0026230850 -0.0101078765 -0.0051512248 0.0040285778 -0.0039463173 -0.0000320837 0.0098545946 0.0034111564 0.0087924911 0.0004075947 0.0038272069 -0.0018087122 0.0023101762 0.0567591580 0.0669284936 0.0036322026 -0.0025982674 -0.0008796788 0.0047195695 0.0193798101 -0.0117892960 -0.0184103933 -0.0175829699 0.0199968056 -0.0013066747 -0.0109141632 0.0178914865 -0.0016104432 -0.0010332843 -0.0037721279 0.0009870923 0.0246087233 -0.0093727199 -0.0154837182 -0.0146127771 -0.0014310370 0.0057952030 -0.0006258432 0.0066357830 -0.0048494668 0.0179033890 0.0229384051 0.0107795322 -0.0002613172 -0.0203984403 0.0054208189 -0.0071496536 -0.0067245404 0.0029136507 0.0027514335 0.0045824380 0.0012346521 -0.0081089499 -0.0035660159 -0.0006899410 0.0100546012 0.0050254483 -0.0009952302 -0.0019957589 -0.0011044617 -0.0016661649 -0.0040501457 -0.0018066618 0.0004038783 -0.0075601290 -0.0096989928 -0.0025645827 -0.0012379031 -0.0006747504 -0.0057486285 -0.0001484657 -0.0034113596 -0.0036673941 0.0015686326 -0.0009218284 -0.0103346957 -0.0024133825 0.0035156766 0.0032267339 -0.0029860192 0.0046446327 0.0003174697 -0.0024380506 0.0027598482 0.0029892661 0.0018548551 -0.0022491041 0.0044483282 0.0004736041 -0.0002534134 -0.0045866023 0.0099095440 -0.0155542792 0.0070369819 -0.0005052719 -0.0018284928 -0.0035153986 0.0026807370 0.0027081317 0.0066960110 0.0015672494 0.0003204378 -0.0059318227 0.0272025032 0.0259403926 -0.0000939948 0.0015210935 0.0014509842 -0.0026827826 0.0371878113 -0.0417370102 -0.0057212797 -0.0959838240 0.1937365017 -0.0985560729 -0.1151900947 -0.0373432347 0.4346488804 -0.0928062265 0.1760828468 -0.2556583162 0.0189574852 -0.0132882794 -0.0046307035 -0.2031558105 -0.1420577611 0.3220425809 0.0807527786 0.1360125548 -0.2030164920 -0.0769479723 0.1143877974 -0.0678178236 0.3072548288 -0.0602871057 0.0598455318 -0.2473323125 -0.1677488523 -0.3751909022 0.0201961069 -0.0170339019 0.0193805597 0.0278347089 -0.0331102129 0.0453953965 -0.0471398007 -0.1579126780 0.0701740881 -0.0354355819 -0.0033312790 0.0033444115 0.0296533182 0.0477453886 0.0323747044 -0.0861457882 0.1308863027 0.1029641870 0.1060236818 -0.0340718265 -0.0419390046 -0.0099699147 -0.0276627167 -0.0031740203 -0.0290527383 -0.0325772376 -0.0004007169 0.1006103162 -0.0242942086 -0.0561512108 0.0299782828 0.0274611450 0.0148981860 -0.0223998955 -0.0227772246 -0.0356284850 0.0610202047 0.1009008212 -0.0315756176 0.0164491545 0.0009750589 -0.0024350604 -0.0107974303 0.0014473419 -0.0066476421 0.0048211967 0.0167297127 -0.0032761133 0.0006272157 -0.0129465611 0.0151702973 0.0013851423 0.0030660045 -0.0073029724 -0.0251980419 -0.0094591955 0.0179924336 0.0391120589 -0.0055147697 -0.0051471418 0.0107346014 -0.0023491756 0.0113801049 -0.0018336641 0.0391127308 -0.0067998632 -0.0210645382 -0.0082063600 0.0430880618 0.0043300005 -0.0076754807 -0.0013480534 0.0133967664 -0.0116452528 -0.0001674440 0.0014167002 0.0039590351 -0.0120405848 -0.0077145610 0.0070587098 -0.0073354385 0.0038997393 0.0009938707 0.0003451327 -0.0048056392 0.0189899423 -0.0097109012 -0.0086318690 0.0220157574 -0.0125421427 0.0001917756 -0.0007611707 -0.0080943620 -0.0206969246 -0.0180428586 0.0015979774 0.2164857161 0.1626924672 0.0402728460 -0.0039383097 -0.0073883733 -0.0113554109 0.0825871389 0.0751580450 -0.0707368240 -0.0336435273 0.0992542278 -0.6528591241 -0.1307705399 -0.1342904852 -0.0171121462 -0.1667561065 -0.1218527201 0.2000406724 0.0908440491 0.0237812239 0.0671496920 0.0453232384 -0.0140894435 0.1084463026 -0.0573695359 -0.0906412319 0.2401706621 -0.1257351811 -0.0804709345 -0.0483018064 -0.2431712086 -0.0565521904 -0.0537443395 -0.0657057749 0.0143509736 0.0245307712 -0.0300454701 -0.0013894997 0.0776630880 0.0152943203 -0.0028952222 -0.0034508435 0.1395465378 0.1200849612 0.1348072855 0.1237797231 0.0178336975 -0.0280172730 -0.1737137465 -0.1088426267 -0.0357202805 0.3446149814 -0.4976155629 -0.3300022944 -0.3086131319 0.0483981341 0.1442015632 0.0354853778 0.1028211294 0.0070300328 0.0017906475 0.1235632700 0.0427003539 -0.2655962616 0.0925077714 0.1516830833 -0.0985190150 -0.1084576744 -0.0232227925 -0.0242205755 -0.0120489169 0.0844695909 -0.2020086113 -0.2298793926 0.0848814599 -0.0115853922 0.0141814276 -0.0058342146 0.0006722193 -0.0150076144 0.0016735095 0.0147214292 0.0011989513 0.0048505096 -0.0083683139 -0.0217528955 0.0207075583 0.0086196537 -0.0001931466 -0.0034762778 0.0299645893 0.0201396994 0.0031557271 0.0255766092 0.0074714618 -0.0018745207 -0.0093278244 0.0016653262 0.0097702767 0.0041391367 -0.0237652239 0.0378271538 0.0245386817 0.0218815429 0.0013157822 0.0053522436 -0.0043892820 -0.0052612048 -0.0056314770 0.0012127942 -0.0102506804 0.0123010207 -0.0214719358 0.0180324501 0.0023608892 0.0039404306 -0.0091459519 -0.0220089610 0.0126566967 0.0044689898 -0.0361002182 0.0287677613 -0.0141466568 0.0123265611 -0.0278636727 0.0293483099 0.0015337752 0.0030623953 -0.0112313663 -0.0105406916 0.0023772745 -0.0021628899 0.0650208415 0.0463463153 0.0057881886 -0.0030561907 0.0225545556 0.0371768284 0.0241599721 0.0204369948 -0.0200841184 -0.0111287113 0.0316866756 -0.1855010919 -0.0389382665 -0.0381725397 0.0043959256 -0.0484236123 -0.0306421939 0.0511789042 0.0256882368 0.0060468688 0.0187844100 0.0085882663 -0.0067282883 0.0372470903 -0.0164022682 -0.0229125649 0.0634602884 -0.0365783619 -0.0212770464 -0.0129314887 -0.0629494174 -0.0199831155 -0.0093497230 -0.0264344059 -0.0039261778 0.0036692223 -0.0058598855 0.0002352715 0.0195751569 0.0042419889 -0.0017958448 -0.0013944923 0.0243118334 0.0110352406 0.0384890032 -0.0008265685 0.0280871184 -0.0555109209 -0.2583930996 0.1979789549 0.2648876886 0.1666028344 -0.1715726295 0.0788183272 0.1709522261 -0.2331366414 0.0090167890 0.0128400392 0.0173765455 -0.0033541150 -0.3507300964 0.0210933084 0.1493101399 0.2480152249 0.0072023610 -0.1043296990 0.0275310934 -0.0601201891 0.0624547798 -0.2829057871 -0.2510558177 -0.0795242986 0.1100285293 0.2607521397 -0.1115174051 -0.0251604954 0.0197256614 0.0036676168 -0.0416716971 -0.0519510666 -0.0094269139 0.0326834054 0.0758628929 0.0122167422 -0.1186693926 -0.0948105765 0.1234331224 0.0268206493 -0.0071732880 -0.0229717548 0.0515328200 0.0294739865 0.0218070342 0.1253297080 0.0210046831 -0.0144658339 0.0058059129 0.0226175580 0.0563644016 0.0184414761 0.0372197637 0.1002094813 0.0291525936 0.0638546677 0.1016331979 0.0273374580 -0.0326913619 -0.0166050986 0.0300350637 -0.0433917211 0.0168864438 0.0400134733 -0.0479863177 0.0221791072 -0.0158408486 0.0260513292 -0.0491860344 -0.0313361804 0.0194677958 0.0426751299 -0.1235436423 0.1682748358 -0.0767906129 0.0144150086 -0.0053283505 0.0575972471 0.0158103516 -0.0173883409 0.0019032563 -0.0122534533 0.0268126488 0.0343816049 0.0043825029 0.0779991709 0.0479237673 -0.0150368256 0.0198725342 -0.0427182278 -0.0050386411 -0.0114889441 0.0041437079 -0.0040509941 0.0068728909 0.0596135186 0.0058826887 0.0127899108 0.0364720251 0.0118050339 0.0295851717 -0.0479770487 -0.0064116954 -0.0014360390 -0.0053493758 -0.0231542050 -0.0136262876 0.0120761455 0.0258213438 0.0228627099 -0.0420352841 0.0075699328 0.0134951836 0.0053943212 0.0580881339 0.0093962375 0.0014368658 -0.0222341107 -0.0274128671 -0.0143054424 -0.0006217154 -0.0085349763 -0.0086899295 0.0033245978 0.0005223570 0.0033189009 0.0058430457 0.0078797707 -0.0163415314 0.0043182135 0.0122232642 -0.0286045790 -0.1154576173 0.0857132491 0.1141950267 0.0842626454 -0.0873097727 0.0274236593 0.0727395356 -0.1052587588 0.0045155819 0.0075201770 0.0074402730 0.0080093998 -0.1832734727 -0.0123331230 0.0623102800 0.1164350987 0.0300936122 -0.0539588607 -0.0025242684 -0.0145521708 0.0262468111 -0.1807028335 -0.0623295125 0.0315832103 0.0754397749 0.0808133415 -0.0573890270 0.0108730975 -0.0058055670 0.0436424804 0.0747921523 0.0089786829 0.0077763599 -0.1748616469 0.0059303689 -0.0099187081 0.1904113655 0.0121774662 -0.0416437860 0.0404089065 -0.0049694093 0.0946540577 0.2469020059 0.0394708768 -0.2451699084 -0.2942911482 0.1936615356 0.0774274091 -0.0768393981 -0.0138481463 -0.0934679094 -0.0018937531 -0.2426131622 0.0259073303 0.0940315095 -0.0516865280 -0.3918714699 -0.0584702594 0.0670731955 -0.0150195488 -0.0667821633 0.0899692008 -0.0817711271 -0.0368315915 0.0402435422 0.0643446344 0.0667997335 -0.0726414263 0.0723492706 0.0170859861 -0.0438983525 0.0108552912 0.0831223403 -0.1776575694 0.0938254421 0.0667193591 -0.1476204966 0.0799417137 0.0037812292 -0.0039008825 0.0689831499 -0.0235786055 0.0111526867 -0.0925968753 -0.1870816098 0.0498408817 -0.0803211291 -0.0185728798 0.0295595587 -0.0619417788 0.0094082446 0.0118514766 -0.0010008519 -0.0005624723 0.0017505360 -0.0819189537 -0.0168639139 -0.0220668443 -0.0148791570 -0.0231459243 -0.0314165481 0.0561026816 0.0053754569 -0.0008015581 0.0024340774 0.0118750435 0.0067227917 0.0027129188 -0.0393017218 -0.0267851768 0.0435461577 -0.0101503739 -0.0083708901 -0.0096169235 -0.0617604108 -0.0335812979 0.0275707658 0.0037476683 0.0086836385 -0.0075158496 0.0160216283 0.0177750213 0.0051354050 -0.0064656180 -0.0043240247 -0.0012000120 -0.1040914856 -0.1237308269 0.0139531238 0.0246130415 0.0009258568 -0.0297172132 -0.0739869258 0.0417668146 0.0650532604 0.0963132894 -0.1056975140 -0.0141132789 0.0452086134 -0.0798262413 0.0043743289 0.0023187208 0.0239759837 0.0112054625 -0.1086898190 0.0198572308 0.0506916476 0.0590540300 0.0410292610 -0.0227388790 -0.0444349187 0.0131082948 0.0371516997 -0.1759879994 0.0018746151 0.0730206704 -0.0182562526 0.0605077048 0.0037457267 0.0459760648 -0.0578663721 0.0227308451 0.0495117449 0.0082789768 -0.0573446280 0.0832045242 0.1271373097 -0.0405753635 0.2216150802 -0.0856760858 0.0752326704 -0.1084128158 0.0598896519 0.0305189085 -0.2742842345 -0.0366086010 0.1418843345 0.0230539675 -0.0312973690 0.0365677104 0.0697414544 -0.0581195399 -0.0142307605 -0.0728726552 0.0730473394 -0.3864919471 -0.1889034298 -0.1235800628 0.2135884004 0.0063676303 -0.0036128427 0.0099436200 -0.0340221658 0.0091847810 0.0162220092 -0.0727045117 0.0717291146 -0.2611219155 -0.0457026238 0.0113611621 0.0471686931 0.1035987062 -0.0299802992 -0.1082531540 0.2481766874 -0.2203161396 0.0907695336 -0.1301322518 0.2228818827 -0.2686863728 -0.0019448873 0.0069796113 0.0470836065 0.0432216781 -0.0626874791 -0.0194285103 0.0510662240 0.0033325796 -0.0022498990 -0.0215886047 0.0346318509 -0.0584985695 -0.0071312751 -0.0049770125 0.0052172978 0.0029374491 -0.0098071050 0.0465082401 0.0102804220 0.0100078660 -0.0052573081 0.0128796228 0.0054517519 -0.0100886082 -0.0046956287 -0.0000966475 -0.0046960485 0.0004015293 0.0025864583 -0.0130884046 0.0076818190 0.0070945177 -0.0156941090 0.0067216442 0.0089042216 -0.0058100683 0.0206822307 0.0097857646 -0.0088262782 0.0198173357 0.0165381716 -0.0401172850 -0.0117684521 -0.0029104239 0.0093834356 0.0062296184 -0.0012236065 0.0026198694 0.1050314251 0.1179589498 0.0180378211 0.0000127216 0.0015576429 0.0004369730 -0.0042710668 0.0007713812 0.0017131683 0.0028630233 -0.0038891200 -0.0013779273 -0.0031747065 0.0005659753 0.0023966776 0.0005202893 -0.0013714799 0.0008684813 -0.0115343398 -0.0059648606 0.0003564415 0.0066658401 0.0036347899 -0.0050081202 -0.0003687267 -0.0004838500 0.0001854219 -0.0066325507 0.0004845725 0.0052753463 0.0106843502 -0.0046299601 -0.0052314524 -0.0151143546 0.0018434062 0.0086931109 -0.0007831977 -0.0026077901 0.0041169512 0.0154740744 -0.0082269495 0.0040883101 -0.0359985174 0.0153078905 -0.0151744402 -0.0145415050 -0.0132148059 -0.0150548546 -0.0326665041 -0.0138917343 0.0230460167 -0.0038822404 -0.0576506906 -0.0157316863 0.0091861320 0.0120521518 0.0093245432 0.0039030813 0.0276526819 0.0007527802 0.0020580978 0.0292783441 0.0501175096 0.0121715718 -0.0104762009 0.0113841997 0.0123261913 -0.0215970591 0.0503047862 0.0123007168 -0.0175997738 0.0091744450 -0.0124961937 0.0122757191 -0.0151383693 -0.0021366563 0.0046543442 0.0085317302 -0.0234394358 0.0487854904 -0.0221628370 -0.0094259053 0.0277408190 -0.0060814618 0.0034049902 0.0007014349 0.0087239698 0.0275066810 0.0144703109 -0.0090303140 0.0233716599 -0.0420526916 -0.0232217237 0.0020601713 0.0016089106 -0.0058314277 -0.0265349223 0.0170100156 0.0776299822 0.0355680685 -0.1231179700 0.0531897384 0.0082278000 -0.0305432185 -0.1384577230 0.0003200916 -0.1486389004 0.2775212619 -0.0055268327 -0.0188123319 -0.0698350193 0.1551447413 0.1366612185 -0.1495060626 -0.2477909854 -0.0839876432 0.0564834002 0.0183276020 0.0486741101 -0.1490774948 -0.1438392998 -0.0689702780 0.0147441993 0.2257281679 0.2413092050 -0.4228073263 -0.0038326621 0.0304242847 0.1270927982 0.0228729065 -0.0379844055 0.0118868571 -0.3029776272 -0.4274964559 0.2316335579 0.0013267659 -0.0048513732 -0.0002083984 0.0141819206 -0.0073971263 -0.0093626349 -0.0062388786 0.0070422679 -0.0006241719 0.0043372208 0.0017681551 -0.0052758747 -0.0024287167 0.0041394303 -0.0013407504 0.0227814308 0.0163579459 0.0031058547 -0.0208111100 -0.0006841116 0.0097249117 0.0023069474 -0.0013209100 -0.0013593141 0.0112948127 -0.0034738670 -0.0106842556 -0.0282541003 0.0114114734 0.0134742818 0.0244690269 -0.0163232272 -0.0183166471 -0.0231409397 0.0033520405 -0.0090806093 -0.0425771088 0.0315572648 -0.0055662620 0.0504167815 -0.0348168285 0.0281407204 0.0375384938 0.0022466552 0.0192243222 0.0604386759 -0.0143931666 -0.0743364232 0.0016903709 0.1015898175 0.0195335578 -0.0144313560 -0.0017316346 -0.0085822678 0.0094822275 -0.0099728713 0.0615032750 0.0078096873 -0.0453977273 -0.1179414397 -0.0230442365 0.0217458397 -0.0184373566 -0.0036277774 0.0237246000 -0.0507663521 -0.0124411577 0.0261829083 0.0225690297 0.0262624831 -0.0259267053 0.0104748830 0.0046401158 -0.0207269111 0.0309626144 -0.0123513016 -0.0075332526 0.0078069456 0.0406603258 -0.0687118938 0.0630843260 -0.0014563316 0.0048939781 -0.0232516073 -0.0751534634 -0.0357285290 0.0132389550 0.2147359083 0.2814646936 0.0860249719 -0.0054429531 -0.0009490179 0.0122466817 -0.0411982153 -0.0251960939 0.0253460514 0.0169106597 -0.0597951314 0.2455470992 0.0601073284 0.0586491979 -0.0421585893 0.0742547340 0.0229489791 -0.0478185101 0.0065774902 0.0097817897 -0.0206541607 0.0681067010 0.0519741799 -0.0955825839 0.0640674592 0.0591309506 -0.0928553264 0.0104511089 0.0291551816 -0.0592323467 0.0953226715 0.1100341179 -0.1657893989 0.1126106230 0.1213305951 -0.2226679972 -0.0909721676 -0.0628850646 0.0863348572 0.0462569610 0.0009780665 0.0103874921 0.4900169675 0.5024677448 0.1524865902 -0.0204456708 0.0174861039 0.0197664812 -0.0150510872 0.0036015187 0.0000500792 -0.0346511887 0.0312292358 0.0059056717 -0.0515825629 0.0437382593 0.0196798793 0.0153111349 -0.0233946536 -0.0184977676 0.0433531089 -0.0190405998 -0.0233858274 -0.0093431505 -0.0410398599 0.0006309160 0.0451350618 -0.0381272810 -0.0297179343 0.0964256165 -0.0570333227 -0.0751349895 0.0381149956 -0.0295237307 -0.0290699504 -0.0538988419 0.0773412043 -0.0166118668 -0.0373817698 -0.0969862123 0.0052268814 0.0290543557 0.0668426740 0.0317051406 -0.0616777470 -0.1519173787 0.1546520646 0.0503402564 0.0977019012 0.0174055828 0.2452275681 0.2887940895 0.0908740114 0.2375195469 0.1506054323 0.0342471477 -0.0112230580 -0.0669730775 0.0087021762 -0.0400486726 -0.0998924246 -0.1028524606 -0.0051199114 0.0238083546 0.1657396901 -0.0106417562 -0.0181610230 -0.0717679881 -0.0652191258 0.0888569513 -0.3770824125 -0.0539590263 0.0777406154 -0.2182232434 0.0078266964 0.0071190713 0.0841791377 -0.0229340820 0.0663526086 -0.2167298554 0.2270772608 -0.3863337055 0.1551820766 -0.0726551594 0.0001702599 -0.1866398631 0.0073749546 -0.0141182585 -0.0364629625 -0.0269605825 0.0725960680 0.0340902202 -0.0828413470 0.0919362054 0.0403216797 -0.0002535754 -0.0099730039 0.0473397350 0.0008709311 0.0023553779 0.0063317679 0.0013491892 -0.0055673742 -0.0104083602 -0.0045538973 -0.0072612694 -0.0027367436 -0.0055440550 -0.0129637085 0.0258847100 -0.0001267013 -0.0022620161 -0.0069355267 0.0091135814 0.0086305658 -0.0065611099 -0.0249684144 -0.0085490374 0.0052116943 0.0010459542 0.0021637671 -0.0098559927 -0.0096098102 -0.0070797544 0.0027762541 0.0065267457 0.0094105604 -0.0114000777 0.0037797865 0.0008149225 0.0065538171 0.0010800205 -0.0022761338 0.0000871036 -0.0711306938 -0.0841841600 0.0096211108 0.0133847433 -0.0162367718 -0.0167385869 0.0151612433 -0.0005741049 0.0015989453 0.0212335789 -0.0170981424 0.0032336208 0.0507677034 -0.0404993787 -0.0204359326 -0.0148391527 0.0168057757 0.0180721454 -0.0529509151 0.0085277385 0.0229689673 -0.0004578456 0.0375075720 0.0013063074 -0.0222737284 0.0233464247 0.0127435679 -0.0670941272 0.0427624157 0.0559674807 -0.0032399098 0.0110183988 0.0066590567 0.0375540777 -0.0565954720 0.0201401547 -0.0523686749 0.0197443104 0.1002307790 -0.2507549673 -0.2168296283 0.0555839781 0.0397110786 0.1315048139 -0.1987914904 0.0501671786 0.0319192704 -0.0759184935 0.0969417536 0.1484716782 0.1223458351 -0.0511566807 -0.3178955737 -0.0956616022 0.0091313510 -0.0191363765 -0.0053035046 0.0540750549 0.1742083906 0.2320734703 0.0397337060 0.1195756081 0.2069206927 -0.0128145907 -0.0803222329 0.0077306800 0.0763894159 -0.0067342071 -0.3761135817 0.0401579302 0.0318690162 0.1861362888 0.0106586402 0.0730196686 0.0153849217 -0.2041829804 0.2070568391 -0.2333601461 -0.0025507139 -0.2117655499 0.0639387713 -0.0235028120 -0.1166339940 -0.0600067407 -0.0056343537 0.0152632782 0.0581164000 -0.0027162417 -0.0184470948 -0.0985785319 0.0531217269 -0.1374143444 -0.1311229449 -0.0008629113 0.0083459266 -0.0356230451 -0.0033993307 -0.0035137950 0.0034500476 0.0010640223 -0.0040574607 0.0249317110 0.0053903929 0.0053181734 0.0018896312 0.0069921090 0.0036665360 -0.0065149504 0.0039967045 0.0036114000 -0.0024981850 0.0111050550 0.0076372266 -0.0128435211 0.0187519249 0.0115629010 -0.0150045959 -0.0014068821 -0.0009367221 -0.0005244076 -0.0039547489 0.0129554454 -0.0161504817 -0.0011198691 0.0003746974 -0.0028790495 -0.0084142231 -0.0031914658 0.0042826407 0.0046987986 0.0007975338 0.0014901379 0.0796138999 0.0845403492 0.0113831239 -0.0862838874 0.1507845744 0.0777705522 -0.2658883437 0.1352787460 0.1367219409 -0.0362481902 0.0177137859 0.0002341352 -0.3058714231 0.1796647270 0.1636815545 0.1727414843 -0.1133046433 -0.1082586039 0.2932378265 -0.1094654791 -0.1469941161 0.2684075215 -0.1425359203 -0.1433581413 -0.0066164527 -0.0744565421 -0.0234370615 -0.1135037290 -0.0625549384 0.0413069489 -0.0654756319 -0.0867116824 0.0149933818 -0.0194297624 0.0290067107 0.0079154569 0.0868390955 -0.0152886991 0.0277176583 0.0191476707 -0.1062090399 0.0111624438 0.2070257636 -0.0054164834 -0.0501073523 -0.0267994858 -0.0299774959 -0.0044368598 0.0795142763 0.0647926941 0.0125548334 -0.1899221899 -0.1992959830 -0.0225928080 -0.0121607861 0.0006266240 -0.0379510309 -0.0106271711 -0.1177955134 -0.0982082133 0.0492504158 0.0972372163 0.0593931063 0.0514094663 -0.0524835174 0.0756892314 0.0305128944 -0.0765273670 0.1857911942 0.0566043454 -0.1002083407 0.0877862801 -0.0495395047 0.0599074779 -0.0240147202 -0.0464792494 0.0672830009 -0.0638693920 -0.0096115612 0.0404983406 -0.0220227212 -0.0700762029 0.1133632616 -0.0959173586 0.0008633107 -0.0003654332 0.0239790947 -0.0457003304 0.0208907611 -0.0688554827 -0.0583274466 0.0697168789 -0.0611063195 -0.0403742747 0.0284911458 0.0294073049 -0.0096759373 -0.0032721530 -0.0137985254 0.0018923047 -0.0041531315 0.0412869200 0.0203238072 0.0242793426 -0.0283867284 0.0227293567 0.0211979727 -0.0483777673 0.0021222990 -0.0000829328 0.0183891410 0.0036269386 -0.0036523181 0.0062753065 0.0271302529 0.0101715541 0.0015050484 -0.0026851574 -0.0007375848 -0.0053803872 0.0261984276 0.0307754735 -0.0476362408 0.0248163170 0.0296314760 -0.0188557683 -0.0138656304 -0.0139459505 0.0110471929 0.0050959784 0.0037858496 0.0012913195 0.1072988580 0.1105182742 0.0219073200 -0.0243764185 0.0482056595 0.0235488362 -0.0809071133 0.0434098899 0.0421917411 -0.0069086844 0.0034617114 -0.0026094190 -0.0943544839 0.0573647799 0.0510103025 0.0600946429 -0.0286343989 -0.0352385880 0.1291090992 -0.0212540972 -0.0536412269 0.1175014952 -0.0358911549 -0.0588949322 -0.0374842835 -0.0042587341 0.0170346395 -0.0819600831 0.0020780292 0.0463910690 -0.0769940385 -0.0110656332 0.0413220870 0.0184017046 -0.0239175506 0.0020752048 -0.0408230297 0.0163816523 -0.0110241202 -0.0225750067 0.0357174853 -0.0074244537 -0.0774579248 0.0166082912 0.0034684183 0.0041254661 0.0162153166 -0.0054800849 -0.1070846047 -0.0713704568 0.0075735029 0.0851238892 0.0673607562 0.0021836030 0.0155553027 0.0012427142 0.0236498346 0.0139577120 0.1149162891 0.0815034154 -0.0405011722 -0.0676473268 -0.0290546556 -0.0362404199 0.0317488320 -0.0391465822 -0.0077885319 0.0422585841 -0.1133203808 -0.0317782223 0.0647241683 -0.0202745297 0.0330069700 -0.0347419532 0.0070444703 0.0169350433 -0.0355719363 0.0480667458 -0.0185437333 -0.0029852626 0.0021475392 0.0527025701 -0.0842609219 0.0787757934 -0.0029153299 0.0035098169 0.0039398263 0.0366248498 -0.0260913631 0.0165314205 0.0659361920 -0.1048045236 -0.0031610472 -0.0030064658 0.0006603133 -0.0110205443 0.0432623847 -0.0395342207 0.1632666085 -0.0194761402 0.0202852102 0.0074923458 -0.0993520247 -0.1283640674 0.3523086777 -0.1011691552 -0.0931626286 0.2549568088 0.0651600453 0.1002362786 -0.1854886555 0.1088410002 0.1155381171 -0.2884502918 0.2365450451 0.1599748039 -0.2982309949 -0.0691197932 -0.0612559815 0.0166417037 -0.1752584450 -0.0749348442 0.0460852537 -0.2145047558 -0.1764844294 0.2408711134 -0.0034912710 -0.0009829990 -0.0041989331 -0.0141372833 0.0103172899 -0.0110035540 -0.0220117652 -0.0016876196 -0.0158697989 -0.0354648665 0.0747546332 0.0362015773 -0.1256156211 0.0649825582 0.0636207652 -0.0067222734 0.0008510757 -0.0081311183 -0.1485769758 0.0898950725 0.0802898683 0.0922147127 -0.0430026028 -0.0544666198 0.1993652535 -0.0340158062 -0.0859749639 0.1843878016 -0.0571091112 -0.0908885025 -0.0650967351 -0.0001473757 0.0327488812 -0.1371638253 0.0092996364 0.0793572400 -0.1285487191 -0.0099809830 0.0710260448 0.0262717642 -0.0507551432 0.0008216681 -0.0913263871 0.0217812089 -0.0158907859 -0.0378808455 0.0688273467 -0.0065760467 -0.1373140354 0.0185294261 0.0093729364 0.0116719639 0.0316304881 -0.0129206021 -0.2048311516 -0.1375531233 0.0165752452 0.1635489865 0.1194597983 0.0013074336 0.0347387806 0.0053363947 0.0510664094 0.0355623474 0.2582965093 0.1926372474 -0.0804947865 -0.1274365637 -0.0408940781 -0.0776333956 0.0607275949 -0.0845076961 -0.0103336663 0.0877784911 -0.2680964084 -0.0659455593 0.1422421022 -0.0369124957 0.0707426084 -0.0683585471 0.0168287568 0.0230493606 -0.0611987613 0.0848236407 -0.0373217865 -0.0237656351 0.0103053165 0.1091749530 -0.1864986512 0.1604727523 -0.0029190013 0.0081292557 0.0125143369 0.0591163044 -0.0483768473 0.0295792219 0.1388432253 -0.1784978359 -0.0025994749 -0.0015213613 -0.0006483145 -0.0237707873 -0.0138048034 0.0270838300 -0.0778479582 0.0096509751 -0.0069707838 -0.0515862649 0.0337272411 0.0449129441 -0.1744173530 0.0306074129 0.0289407260 -0.0900597125 -0.0435563576 -0.0589223909 0.0849278083 -0.0717888339 -0.0644033644 0.1610660740 -0.1694226546 -0.1045837029 0.1688365143 0.0464239478 0.0397375385 -0.0020962513 0.0727886583 0.0063343665 0.0344162657 0.1081102863 0.0847431256 -0.1099562648 0.0141118956 0.0130773251 -0.0102449345 0.0031874759 -0.0088664350 0.0063580734 -0.0652377896 -0.0654579128 -0.0212080047 0.0092064822 0.0030062590 -0.0099367549 -0.0526888804 0.0027589745 0.0193466583 0.0382945334 -0.0518794280 -0.0165108093 -0.0195700151 -0.0283598065 0.0190625579 -0.0352803421 -0.0429797800 0.0139760196 -0.1886103576 -0.0617669150 0.0572283797 -0.1666463233 -0.0262601586 0.0613363054 0.1126365158 -0.0229629409 -0.0798167794 0.1227611995 -0.0044584674 -0.0631827413 0.1906042595 -0.0418621895 -0.1125594376 -0.0514222570 0.0751408217 0.0100577436 0.0711886378 -0.0735779009 0.0381674130 0.2589137986 -0.1661650484 0.0390840307 0.3344077258 -0.1173915303 0.0176774193 -0.0790415154 0.0157076704 -0.0309325316 -0.3094581252 -0.1236246300 0.1188325548 -0.0256100929 -0.1814156386 -0.0337307380 0.0640245892 -0.0068831967 0.0538571532 0.0306133356 0.2874686969 0.1132247609 -0.1119806893 -0.1165164629 0.0876707441 -0.0696267478 0.0656157256 -0.0342664660 0.0004509560 0.0699638619 -0.1412284300 -0.0666729612 0.1184884750 -0.0130878215 0.0554854085 -0.0561698789 -0.0210620439 0.0213656178 -0.0681608887 0.1371230815 -0.1011647293 0.0836077089 -0.0445846882 0.1126683815 -0.1549774046 0.1860055701 0.0058005981 -0.0052281913 0.0469067142 -0.0295684469 0.0506324649 -0.1028509034 0.0407457749 -0.1414299044 -0.1647115036 -0.0480566719 0.0454818734 0.0555760331 -0.0128755761 -0.0096766875 -0.0063194859 0.0002042755 -0.0065356163 0.0662609593 0.0260384751 0.0303094845 -0.0122360401 0.0315627185 0.0232034396 -0.0517357388 0.0211156745 0.0133215261 0.0157645510 0.0357154653 0.0149305995 -0.0230512162 0.0735399334 0.0336792660 -0.0195853606 -0.0244914963 -0.0177188900 -0.0102044339 -0.0060428613 0.0197182037 -0.0579493159 -0.0107466404 0.0033952312 0.0072426783 -0.0014410194 -0.0007624959 0.0095326915 0.0010156463 0.0017295915 0.0001385764 0.0396885997 0.0239819357 0.0294376556 0.0022249667 0.0075534666 -0.0011787079 -0.0202152424 0.0065473249 0.0086573435 0.0162267706 -0.0177767950 -0.0068551155 -0.0104139572 -0.0031768548 0.0100569309 0.0011648844 -0.0083730581 0.0021106085 -0.0079349972 -0.0132343671 -0.0000245997 0.0150428677 0.0031103087 -0.0106384683 -0.0169399413 0.0181625437 0.0104744567 -0.0185746609 0.0238332014 0.0224911729 0.0001483471 -0.0089729659 0.0079567749 -0.0128872334 0.0024277500 0.0099133806 -0.0333692201 0.0211593820 0.0201915977 0.0163083622 -0.0364000117 0.0151486551 -0.1967873517 0.0835767325 -0.0448021970 0.0270972664 0.0089595156 -0.0198614176 0.0814344503 0.0692699867 0.0156961313 0.1841312840 0.1192411055 -0.0041679881 -0.0305896030 -0.0189373791 0.0111981567 -0.0405048481 -0.1514232145 -0.0937119703 0.0237824614 0.0035307243 -0.0226151119 0.0314929423 0.0266437460 -0.0056853019 -0.0703149504 0.0317378259 0.1151243686 0.0012195796 -0.0512582500 -0.1132577153 -0.0210379575 -0.0185904629 0.0021929373 0.0793118178 -0.0687308456 0.0433083210 0.0468019501 0.0340906328 -0.0065851027 -0.0248652188 0.0888486915 -0.0329826312 0.0018421211 0.0027068817 0.0300170951 0.0244598367 -0.0060844298 -0.0309061548 0.1461762134 -0.2480473612 -0.0991751782 0.0142199421 -0.0123527013 -0.0161071447 -0.0859598534 -0.0329297770 -0.0469969784 0.0177437662 -0.0741537715 0.3641098699 0.1636329117 0.1851428925 -0.1836192974 0.1989327667 0.1048964646 -0.2506973540 0.1284479336 0.0383210871 0.1047193647 0.2674879511 0.1260317798 -0.0779312519 0.2964091810 0.1528608665 -0.0685028558 -0.1403529490 -0.0621989663 -0.0426637231 -0.0720305986 0.0055572267 -0.1390097278 -0.0830711654 0.0016758433 -0.0620016582 0.0328257069 0.0312122339 0.0087630193 -0.0039291581 -0.0100671131 0.0057344024 -0.0902614140 -0.1411439011 0.0370787024 0.0019136499 0.0067172020 -0.0048518881 -0.0328825716 0.0123526120 0.0180675910 0.0192106973 -0.0225908065 -0.0037378941 -0.0099086074 -0.0129265275 0.0109988541 -0.0038888977 -0.0171673698 0.0051030558 -0.0528491017 -0.0280001180 0.0131613720 -0.0364044663 0.0000726322 0.0093616841 0.0213308736 0.0031122060 -0.0196265113 -0.0007237197 0.0216103149 0.0133780826 0.0431628342 -0.0184461404 -0.0229938815 -0.0041545984 -0.0039295422 0.0066439784 -0.0583994595 0.0128617297 0.0687110801 0.1089881386 -0.1701707219 0.0561291736 -0.1430785662 0.0959250602 -0.0857706646 0.0477249986 0.0463668945 -0.0507409040 0.1022599788 0.1402846483 0.0756843757 0.3512646935 0.1620362678 -0.0244317327 -0.0385821770 -0.0647441015 0.0032726993 -0.0686678943 -0.2353880023 -0.1880547431 -0.0059300588 -0.0936797987 -0.0946130396 0.0432439386 0.0583256420 0.0207874973 -0.1087571621 0.0512252150 0.2519817286 0.0010953008 -0.0935308456 -0.1245426976 -0.0305286088 -0.0356323401 -0.0173093122 0.1267196584 -0.1256934325 0.1206458466 0.0242548493 0.1264183526 -0.0447114357 -0.0149989859 0.1277102513 0.0010456898 -0.0001245438 0.0076258750 0.0567753265 -0.0209586647 -0.0060725321 -0.0803297098 0.2744518732 -0.3448724124 -0.1815792230 -0.0117975515 0.0127109153 0.0042059525 0.0383667945 0.0107091855 0.0181321507 -0.0106175909 0.0389240650 -0.1543159536 -0.0716514386 -0.0796233898 0.0922584985 -0.0881571584 -0.0369799216 0.0919957652 -0.0624367990 -0.0130572261 -0.0435500085 -0.1390745797 -0.0700614907 0.0351334805 -0.1172967739 -0.0670379201 0.0335737850 0.0701775638 0.0243630367 0.0124548799 0.0456569113 0.0251500013 0.0179190781 0.0483302513 0.0070023210 0.0403318869 -0.0246566384 -0.0175855571 0.0077996459 0.0058113658 0.0055577500 -0.0031524060 0.1008190591 0.1285154946 0.0004899481 0.0687096887 0.0956287980 0.0020240244 -0.3176210816 -0.0102187371 0.0592677391 0.2398489712 -0.3041795556 -0.1998408477 -0.3166345092 0.0349433416 0.2031708829 -0.0852303372 -0.1918613845 -0.0232442405 -0.2785177088 -0.1421260258 0.1202772341 -0.3557345533 -0.2090988235 0.1023297263 0.1044233384 0.1621403986 0.0044405732 0.1085752917 0.1471762561 -0.0214620266 0.0398352681 0.1849802420 0.0395762543 0.0081173603 -0.0099075781 -0.0000576372 -0.0250908175 0.0278616484 -0.0410839345 -0.1178023453 0.1215319657 -0.0355290318 -0.0790273047 0.0123214384 0.0146834092 0.0152783460 -0.0075085892 0.0255348674 0.0271320618 -0.0297877448 -0.0613788971 -0.0392842733 0.0614480056 0.0230619663 -0.0066276192 0.0181277068 -0.0255810770 0.0123426559 -0.0140439497 0.0163298964 0.0219957902 0.0222287171 -0.0556814622 0.0049337425 -0.0382625478 0.0084205428 0.0439270738 -0.0474138112 -0.0133463128 0.0228464460 -0.0111276958 0.0669988158 -0.0056552250 0.0280867336 0.0104226840 -0.0490659765 0.0610540601 -0.0747571324 0.0144984333 -0.0550351681 0.0244134397 -0.0254390271 0.0018000235 -0.0488533311 -0.0012111026 -0.0009573998 -0.0072317973 0.0327790680 -0.0391383319 0.0390735013 0.0627481776 -0.0587055078 0.0347376087 -0.0200843317 -0.0193093365 -0.0040781813 0.0026927480 0.0006723807 0.0013552400 -0.0009143385 0.0031310365 -0.0100685074 -0.0051633508 -0.0050777775 0.0081392055 -0.0060992904 -0.0030143867 0.0072319133 -0.0043479598 -0.0001107648 -0.0036566802 -0.0150726184 -0.0090928414 0.0037955245 -0.0089881459 -0.0029698478 0.0007061998 0.0066968494 0.0005554656 0.0003383415 0.0030889793 0.0040769601 -0.0024499796 0.0034690508 -0.0014901513 0.0067440105 -0.0012526555 0.0005071816 0.0020870897 -0.0010503915 0.0007101707 -0.0017203663 -0.0046630891 0.0019330540 -0.0021679763 0.0028252341 0.0049555633 -0.0012803468 -0.0171345803 0.0032164194 0.0061312007 0.0127622661 -0.0146183710 -0.0066035884 -0.0109511830 -0.0024045277 0.0087778872 -0.0020248865 -0.0085502635 0.0015909152 -0.0179077111 -0.0129813843 0.0031260318 -0.0049677922 -0.0021435222 -0.0010164412 -0.0011025440 0.0111975756 0.0002647945 -0.0085032623 0.0181301625 0.0129467454 0.0039401460 -0.0004629723 0.0017488241 0.0067136521 -0.0084242763 0.0029388220 0.0700801314 0.0532541118 0.0011137360 0.1159448448 -0.0816926994 -0.0136497971 -0.1791599135 0.1335393485 -0.0756795851 -0.0265438015 -0.1516748976 -0.0089728211 0.0731828454 -0.0952415852 -0.0803860833 -0.1557542279 -0.0990945703 -0.0138372495 -0.0691113593 0.1063970630 0.1283167837 -0.0116513350 -0.0823596998 0.2012972596 0.1698679700 0.4037238726 0.3465443584 0.0590758740 0.0323556093 -0.1375463288 -0.1516184131 0.1151138338 -0.1330884246 -0.0250594236 0.0084883215 -0.4341483453 -0.0206663330 -0.0408928969 0.0564445998 0.1511812714 -0.1048894866 -0.0245738026 0.1883414157 -0.1217514629 0.0712119798 -0.0628193338 0.1085561367 -0.1261617822 -0.0019338454 0.0021196742 0.0135534492 -0.0274042961 -0.0127871683 -0.0306387880 0.0327598182 -0.0169673405 -0.0357861872 0.0020155100 -0.0028202295 -0.0050810366 0.0144716978 -0.0101576792 0.0000425137 -0.0137628632 0.0342552609 -0.0293370981 -0.0202230512 -0.0188257194 0.0726608882 -0.0294210794 0.0153755022 -0.0252316411 -0.0285423542 0.0152259044 -0.0053738551 -0.0911506466 -0.0553397464 -0.0029570678 0.0257517651 -0.0139273910 0.0201474003 0.0329040461 -0.0121144439 -0.0117071404 0.0185603156 0.0552021719 -0.0877995242 0.0350706493 0.0101311926 0.0609697766 -0.0135506566 -0.0013391862 0.0266124909 -0.0007922619 0.0035675404 -0.0081717009 0.0182384298 0.0400254603 0.0202888814 0.0016948372 -0.0045368041 0.0069310709 0.0254780494 -0.0193187096 -0.0212755315 -0.0113054242 0.0104524875 -0.0070298731 -0.0041647183 0.0182536201 -0.0030386287 -0.0008188646 0.0112766978 -0.0050602224 0.0116242537 0.0164978979 -0.0040445238 0.0367963720 -0.0056751348 -0.0130059376 -0.0148480938 -0.0003134812 0.0149421877 -0.0056725749 -0.0151030410 -0.0065544605 -0.0084255186 0.0046768147 0.0066178778 -0.0226090235 0.0097244780 0.0012296273 -0.0060228336 -0.0110472137 -0.0138716050 0.0000984492 0.0525158824 -0.0051168378 -0.0069411593 -0.0207141576 0.0148642519 -0.0011755743 0.0200196757 0.0142920269 -0.0239984248 -0.0061207367 -0.0047258749 0.0009455106 0.0283580518 0.0143714767 0.0163663022 -0.0069924309 -0.0253083442 0.0091410896 0.0333047342 -0.0239535816 -0.0271572012 -0.0587930838 -0.0608536636 -0.0156717826 -0.0173959689 0.0205850995 0.0452119760 -0.0346893971 -0.0033365687 0.0047034157 0.0108503854 0.0916338169 0.0070201824 0.0145426652 -0.0054743484 -0.0453247133 0.0397594098 -0.0190318714 -0.0323594362 -0.0034998418 -0.0026500923 0.0090852509 -0.0349548779 0.0139924305 0.0051512567 -0.0005660157 0.0055250129 0.0158890763 0.0049272211 0.0040354061 0.0515403571 -0.0246059599 -0.0043062077 0.0135802866 -0.0111317472 -0.0108878963 0.0268274075 -0.0700273260 -0.0265547222 -0.0631478782 0.1355894615 0.0364887743 -0.0136374405 0.0040135952 0.2671114632 -0.0446030920 0.1309420888 -0.2604984535 -0.0739653946 0.0990048888 0.0333878520 -0.3176931434 -0.2126626597 -0.0509861536 0.2586813969 -0.0175879740 0.1139369486 0.0974475591 -0.0993731696 -0.0935728953 -0.0204504413 0.2385875437 -0.4690671749 0.1130741667 0.0312225296 0.3215732681 -0.0162890383 0.0494202302 0.1317986264 -0.0118228878 0.0016263184 -0.0393930461 -0.2159916755 -0.1322831344 0.1062213804 -0.0298935912 -0.0190687222 -0.0196053008 0.0292521090 0.0568518713 0.0421526847 -0.0460253021 0.0658450225 0.0885405312 0.1135455480 -0.0655402089 -0.0567528429 0.0315983554 0.0240256505 0.0326848114 -0.0502230889 -0.0529490250 -0.0238652176 0.0147012184 0.0999620467 -0.0019519765 0.0372851700 -0.0761085658 -0.0925584291 0.0267146609 0.0004100201 0.0159479305 0.1536714356 -0.1766375691 -0.1187720100 -0.0402540983 0.0398782690 0.0074459610 -0.0253151421 0.0366956022 -0.0872015248 0.0195917310 0.1753783191 -0.0673020209 -0.1254883258 -0.0101531150 0.0547975440 0.0062487919 -0.0353261189 0.0663865727 -0.0931639805 -0.2006939520 -0.1496361235 -0.0056116528 0.2102113338 0.0716709605 -0.0111436935 0.0706645114 -0.0384328964 0.0354542854 0.0096725170 0.0766126413 0.0382103330 0.0417897986 -0.1566852386 0.0046112603 -0.0845049676 -0.0098258575 0.1077391944 -0.1163566294 -0.0409764484 0.0431850667 -0.0008703289 0.1149001277 -0.0043213276 0.0575247690 0.0336393754 -0.0994001513 0.1319378946 -0.1713153227 0.0402549713 -0.1472058159 0.0679425584 -0.0528415513 -0.0231539264 -0.1102008937 0.0060817588 -0.0009137941 0.0369682721 0.0371138346 -0.0671193107 0.0130439739 0.4334984982 -0.4879739767 -0.1152444571 -0.0480867274 0.0687755097 0.0635953780 0.0003182568 0.0027705739 0.0012473429 0.0016816728 -0.0025620646 -0.0055231576 -0.0014397893 -0.0022225400 -0.0067863520 -0.0014805363 -0.0052927045 0.0112572437 -0.0001306950 -0.0038089710 -0.0020385032 0.0052847009 0.0046782431 0.0033394196 -0.0096830160 0.0002420860 -0.0049645461 -0.0015515423 0.0069091846 0.0049139909 0.0042962690 -0.0177550574 0.0323806373 0.0020061681 0.0049102343 -0.0192912447 -0.0026274131 -0.0040607513 -0.0073018650 0.0009021696 -0.0000819134 0.0026056486 0.0455233698 0.0453080307 -0.0055116195 -0.0391145995 0.0293407309 -0.0879642460 -0.1796576016 0.2334859291 0.2215146695 0.0840832181 -0.0410121308 0.1606522025 0.1685473664 -0.2431891130 -0.0288808163 0.0660615919 -0.0513634412 0.1223999862 -0.1182284429 -0.3041167380 -0.0967883068 -0.0144599686 0.2887876206 -0.0285765504 -0.0322393325 0.0353991828 -0.1392673059 0.0013892804 0.2881002980 0.1999801179 0.1003088602 -0.3444653700 -0.0651999338 0.0547025983 -0.0638193244 0.0027824675 -0.0106620384 0.0112311504 0.0166982887 -0.1664043608 0.0157253412 0.0065438795 -0.0460293035 0.0432065143 -0.0343843815 0.0117066578 0.0171155248 -0.0246423149 0.0623414996 0.0889400326 0.0468536261 -0.0189979623 -0.0753124273 -0.0288933669 -0.0008046661 -0.0292776514 0.0093017561 -0.0153706369 -0.0147533431 -0.0287507734 -0.0026998903 -0.0040096090 0.0576293106 0.0036194497 0.0287907723 0.0062004689 -0.0515553029 0.0502732303 0.0057415451 -0.0064609535 -0.0111966688 -0.0289156477 -0.0033167554 -0.0204233138 -0.0108728925 0.0384628779 -0.0493715804 0.0567239458 -0.0048196736 0.0524252040 -0.0231898349 0.0113971748 0.0264932406 0.0289988602 -0.0133058265 0.0116769690 -0.0552990472 0.0226659338 -0.0231701712 0.0328456156 -0.1949523771 0.2507032108 0.1189011442 -0.0176393600 0.0215033610 0.0765446878 0.0012070630 -0.0092475445 -0.0053548999 -0.0073220337 0.0157957947 0.0130893917 0.0039307564 0.0062085332 0.0256027785 -0.0011187137 0.0165767945 -0.0359741358 -0.0048424526 0.0117352573 0.0083096599 -0.0192522034 -0.0131498796 -0.0142224286 0.0278155398 -0.0046969687 0.0230337625 0.0066789904 -0.0109118037 -0.0107675793 -0.0252696822 0.0068510442 -0.0258490714 0.0106389390 0.0045372423 0.0303354169 0.0025699214 0.0157944870 0.0078153928 -0.0007338792 -0.0030997881 -0.0022868779 -0.0650459707 -0.0600415403 0.0065661382 -0.0100804677 0.0398008119 -0.0668689773 -0.1480138870 0.1547177815 0.1406822315 0.1248334471 -0.0986019930 0.0755270690 0.1060710192 -0.1882644841 0.0045465780 0.0237712707 -0.0415381011 0.0999485118 0.0765538932 -0.2100498094 -0.1230496529 0.1037525619 0.2302591657 -0.0823118372 -0.1659594498 0.1319455416 0.0472834133 0.0700058634 0.1869413779 0.0577200560 -0.0539548581 -0.2106371741 0.0888960070 -0.1021663283 0.1254859125 -0.0263430466 0.0275176215 -0.0420499898 -0.0071189672 0.4147588224 -0.1043427966 0.0132022059 0.0885376300 -0.0925492295 0.0695587830 -0.0320741957 -0.0219982109 0.0385598055 -0.0719362878 -0.0943305131 -0.0483168272 0.0480170092 0.1123203043 0.0477589870 0.0153706168 0.0382297829 -0.0146646930 0.0230050263 0.0295441298 0.0045057247 -0.0177938959 -0.0173141813 -0.0708290665 -0.0212314152 -0.0413949226 -0.0021303970 0.1069055945 -0.0916222828 0.0006884090 -0.0119252701 0.0452240699 0.0388932436 0.0161627617 0.0320851997 0.0089448829 -0.0750692731 0.0846535010 -0.0723738693 -0.0229880590 -0.0701530147 0.0264793950 0.0030278832 -0.0785293318 -0.0131450025 0.0137878626 -0.0110306944 0.0231044258 -0.0595243311 0.0853669211 -0.0487985876 0.1564225027 -0.2216060022 -0.1468047328 0.1605686974 -0.1759430141 -0.0466408434 0.0057902280 0.0135340595 0.0075476610 0.0083421065 -0.0121829192 -0.0397901851 -0.0164057817 -0.0187247413 -0.0123361202 -0.0116841308 -0.0268613792 0.0588902428 -0.0031794952 -0.0194898430 -0.0154650524 0.0198773293 0.0162983575 0.0064360597 -0.0540722122 0.0049473254 -0.0372396756 -0.0053946933 0.0134749341 0.0142620110 0.0916508075 0.0191384500 -0.0087169896 0.0090464557 0.0220895656 -0.0176719372 -0.0125958874 -0.0318852487 -0.0031406449 -0.0009517083 0.0094895907 0.0000752448 0.1339503943 0.0938693563 0.0299386733 0.0010464184 -0.0001397502 0.0002561661 -0.0075852744 0.0020763082 0.0054113317 -0.0030322315 0.0038861603 -0.0006020540 -0.0114394486 0.0061488949 0.0033071682 0.0024467233 -0.0033892480 -0.0045458997 -0.0175896841 0.0027282944 0.0120329456 -0.0293028359 -0.0102577349 0.0134089136 0.0163839361 0.0004878466 -0.0106706107 -0.0477673443 0.0271267140 0.0450405330 -0.0471549494 0.0371996440 0.0195117771 0.0671494205 -0.0812758009 0.0113824686 -0.0158739826 -0.0241368576 0.0756891960 0.4268100332 -0.2594991835 0.0788769077 -0.0478960799 0.0179252190 -0.0000616500 -0.0015071333 0.0012622637 0.0055980432 -0.3099393803 -0.2747777008 -0.0341841214 0.3130017699 0.2960068126 0.0423561570 -0.0235287489 0.0525081181 -0.0064135130 0.0290642691 0.0309833396 0.1464721676 -0.0092752210 -0.1030576120 -0.3102279599 0.0302000504 -0.0496751716 -0.0361499546 0.0528243690 -0.0911932222 0.0724507385 0.0619302069 -0.0532354911 0.0587513723 -0.0170946169 0.0360929545 0.0364039904 -0.0121082147 0.0588024523 -0.1237300981 0.0654714461 -0.1134421077 0.0610370731 -0.0641964187 0.0066716451 -0.1166175425 -0.0114411323 0.0108148197 -0.0249322040 -0.0240180247 0.0438147293 -0.0408401883 -0.2334686975 0.2449174764 0.0242797867 -0.0228662294 0.0189135558 0.0016398636 -0.0026486567 -0.0033911718 -0.0016366635 -0.0015429830 0.0006165188 0.0122503367 0.0059460033 0.0063247329 -0.0004488390 0.0059356700 0.0066112555 -0.0150486146 0.0040009357 0.0042999684 0.0041052954 0.0037933306 0.0010158165 -0.0028394262 0.0105961274 -0.0022609025 0.0111262186 -0.0032003843 -0.0049869743 -0.0047108982 -0.0191394036 -0.0054883938 -0.0019327575 -0.0095374268 -0.0082662045 0.0131560947 0.0036112491 0.0120596124 0.0000950829 0.0031518071 -0.0038868296 0.0014474855 -0.0500983239 -0.0415875247 -0.0071717268 -0.0005050885 0.0020506280 -0.0025998529 -0.0023018432 0.0038280926 0.0013966327 0.0076504382 -0.0077414614 0.0017236058 0.0079921059 -0.0100881005 -0.0003266910 -0.0019795598 -0.0004135005 0.0055945883 0.0206207168 -0.0080016285 -0.0131307966 0.0152063179 0.0116633307 -0.0085185194 -0.0128366546 0.0037152895 0.0085527126 0.0361686490 -0.0130580395 -0.0303481634 0.0180093611 -0.0201148129 -0.0043273727 -0.0361643791 0.0484620690 -0.0029764834 -0.0320959208 -0.0168651665 0.0003075478 -0.3334144551 0.0809359446 -0.0065143802 0.4644305535 -0.1277379221 0.0191843130 0.0332611642 0.0419873101 -0.0374129451 -0.2223956954 -0.1484632176 0.0214691709 -0.0482822887 -0.1185635254 -0.0502396085 -0.0565214783 -0.0149792262 0.0084094061 0.0526612205 0.1416689773 0.4250769404 0.0023972956 -0.1216317695 -0.2624080501 0.1003910341 0.0203338412 -0.0340289638 -0.1484327307 0.1046299351 0.0105526066 0.1341047183 -0.2261803472 0.0453344210 -0.0672317086 -0.0234373406 0.0285693227 0.1391175161 -0.1034804268 -0.0275880740 0.1524267257 0.0255167685 0.0201735330 -0.0974786628 0.2136268300 -0.1275907188 0.0066492175 -0.0060682025 0.0015196149 0.0262737842 -0.0010341562 0.0234912059 0.0191853998 -0.0353045603 0.0134601231 0.0157828301 -0.0160916163 -0.0014902557 0.0023247088 -0.0038112678 -0.0014852719 -0.0034194261 0.0083706817 0.0010287157 -0.0004320869 -0.0000642639 0.0156299789 -0.0041355301 0.0042897821 -0.0101155482 -0.0027854250 0.0047323992 0.0010423254 -0.0021142601 0.0002162653 -0.0144000304 0.0008533173 -0.0065671517 0.0145776009 0.0024081223 -0.0013393456 0.0000343024 -0.0153927220 -0.0052445775 0.0088147553 0.0117206691 0.0091399186 -0.0046787616 0.0020855950 -0.0027989464 -0.0011559407 -0.0034778115 0.0023191539 -0.0008998104 0.0109055082 -0.0107162808 0.0191347415 0.0017025553 -0.0014640065 0.0051183335 0.0083523658 -0.0109154328 -0.0091496629 -0.0047558993 0.0026085691 -0.0074325095 -0.0062644829 0.0127622779 0.0010778176 0.0002622951 0.0025649912 -0.0013586459 -0.0401848336 -0.0039662650 0.0074402384 0.0374090617 -0.0109484852 -0.0118307822 -0.0030879866 -0.0000181577 -0.0070894869 -0.0116114720 0.0121040809 0.0130219365 0.0285711124 -0.0221616969 -0.0178009587 -0.0031794864 -0.0045205927 -0.0024328480 0.0053135760 -0.0003194231 -0.0004450134 -0.0259395214 0.0058240232 -0.0018884341 -0.0203898356 0.0061804090 0.0007779940 0.0004490313 0.0051720339 -0.0007783320 -0.0179212213 -0.0075987895 0.0040773285 -0.0075503198 -0.0079953742 -0.0015587332 -0.0013910543 -0.0016878528 -0.0004050906 0.0033359649 0.0124735587 0.0221776635 -0.0024086433 -0.0119752325 -0.0176432340 0.0049921960 0.0010914081 -0.0010244904 -0.0096474678 0.0082442647 -0.0063898716 0.0092413321 -0.0144023530 0.0109523621 -0.0040275450 -0.0017533253 0.0012816927 0.0078986969 -0.0065581914 -0.0007787684 0.0079473881 0.0029516830 0.0004212566 -0.0054590993 0.0127994050 -0.0064623313 0.0011280824 0.0016414494 0.0025843015 0.0051104115 -0.0049467290 -0.0001987091 -0.0017894346 0.0238628555 0.0082064371 -0.0007596735 0.0026602934 0.0044994760 -0.0510731223 0.0886178421 0.0248756262 0.0786031668 -0.1871017256 -0.0068888881 -0.0110880798 0.0026878964 -0.2967188965 0.0908525432 -0.1140965252 0.2514413645 0.0524627769 -0.0831307120 -0.0343202792 -0.1546763824 -0.1535259132 0.4383965415 0.0113540934 0.1666848146 -0.3450686027 0.0172416562 -0.0026437663 -0.0256343102 0.2157882419 0.2011388575 -0.3073921008 -0.2159220450 -0.2095034705 0.2892575050 -0.0054148463 0.0195225561 0.0524666814 -0.0078497231 0.0027061392 -0.0167567675 -0.0755329951 -0.0170687436 0.0235480100 0.0412361501 -0.0073883007 0.0730302454 0.0695558771 -0.1770976549 -0.1395291999 -0.0303013636 -0.0088607895 -0.1493558816 -0.1206982808 0.1685927106 0.0475669527 -0.0360112614 0.0089044907 -0.0266811789 -0.4276141317 0.0580667801 0.1840805532 0.5355337800 -0.1236418677 -0.2242441560 -0.0495375288 0.0322907462 -0.0532876136 -0.1846745292 0.1438361720 0.1531120775 0.3194648074 -0.2313239171 -0.1809383559 -0.0006959646 0.0031845360 0.0023442659 -0.0007990838 -0.0007888106 0.0031266660 -0.0013737305 -0.0064020577 0.0027141823 -0.0085238018 0.0022357458 -0.0017382132 -0.0016588630 0.0006547010 -0.0019194777 -0.0064495337 -0.0013485886 0.0039499087 0.0147155219 0.0091428816 -0.0002527057 0.0001020107 0.0007514153 0.0009831392 0.0004679854 0.0006129218 0.0020300036 -0.0025976030 -0.0066104092 -0.0089404127 -0.0005416923 -0.0008245821 -0.0013238518 0.0072351759 -0.0068511526 0.0090910340 -0.0016735628 0.0016285566 -0.0048733064 0.0009910502 0.0013344381 0.0007054957 -0.0024235413 0.0034552267 -0.0031113962 -0.0005870253 -0.0034239871 0.0015416468 0.0002544484 -0.0038799132 -0.0009397568 -0.0030813085 0.0026405211 -0.0170766287 0.0056064900 -0.0012866249 -0.0000562667 -0.0248401346 0.0196728604 0.0067677408 0.0261536661 -0.0185247961 0.0385880459 0.0089442064 -0.0037622902 0.0002785460 -0.0048520916 0.0153159381 -0.0226536828 -0.0053911765 -0.0104920302 0.0212512253 -0.0151488046 0.0072586690 -0.0108739586 -0.0100453199 -0.0029894597 0.0027577696 0.0455942682 0.0377764528 -0.0608653116 -0.0060009553 -0.0073780356 0.0077957857 -0.0070372537 0.0016453232 0.0118374727 0.0289506935 0.0234296403 -0.0189744931 0.0186094291 0.0158258697 -0.0567436822 0.0031303105 -0.0081075425 -0.0008551053 -0.0014787301 0.0015883835 -0.0004706307 0.0115473422 0.0261301971 -0.0200611234 -0.0010033837 -0.0022450935 -0.0005044826 0.0009947376 0.0040496236 0.0051696156 -0.0063026579 0.0091170547 0.0058964268 -0.0019052669 0.0034436817 -0.0024515081 0.0053660391 0.0008266495 -0.0016452534 -0.0170505650 0.0012894771 0.0084561522 -0.0202000608 0.0001096080 0.0105539090 0.0058066413 0.0004302361 -0.0027640991 -0.0216500393 0.0109552869 0.0216089006 -0.0425955514 0.0168385596 0.0215913615 0.0120365354 -0.0254854400 0.0077897898 0.0042037592 -0.0032327285 -0.0361466695 0.3885754262 -0.0015579219 -0.0131503487 -0.3288781722 0.0391045862 0.0275458740 -0.0295554784 0.0185249671 0.0541036097 0.1763633702 0.1824720346 0.0201840927 -0.2092218641 -0.0654778603 0.0394482506 0.0350682466 -0.0268890153 -0.0416423877 0.0716285802 0.2256040745 0.2028161241 -0.0380238396 -0.0744039367 -0.0256846441 0.0367784944 0.0163037722 0.0198276764 -0.1742246153 0.1932101896 -0.3069973183 0.1308639533 -0.1869634324 0.3190346779 -0.0539235115 -0.0334711919 -0.0048879282 0.1112797367 -0.1146695037 0.0470147121 0.0732257044 0.0735462899 -0.0225647880 -0.0499293429 0.1539010891 -0.0278118444 -0.0013829762 0.0035775479 -0.0053834602 -0.0151744564 0.0107547233 -0.0086316334 0.0408125231 -0.0406366598 -0.0240023107 -0.0038920190 0.0026351917 -0.0024516298 0.0192453194 0.0048533399 0.0068593221 -0.0028100102 0.0167614009 -0.0807216767 -0.0176543594 -0.0350022254 0.0007244201 -0.0335432863 0.0115086009 0.0017057936 -0.0276547223 -0.0218031168 0.0099691002 0.1007821063 0.0819813478 -0.1067602851 0.0378685388 0.0327191987 -0.0710690803 -0.0234296737 -0.0079546835 0.0245619152 0.1421441401 0.0907277884 -0.1225077116 0.0543141018 0.0588779637 -0.0762584662 0.0067239470 0.0079397604 0.0019749491 0.0045409173 -0.0048378089 -0.0000671485 -0.0494430238 0.0223212122 -0.0700336800 0.0040128088 -0.0016251422 0.0069772640 0.0051091859 -0.0153813790 -0.0101990203 -0.0060495244 0.0035787560 -0.0132537376 -0.0129618707 0.0185883771 0.0037025682 -0.0008455751 0.0007734281 -0.0034892018 -0.0539629102 0.0066988914 0.0238746253 0.0463854145 -0.0097288942 -0.0199920175 -0.0047911017 0.0072812877 -0.0051244842 -0.0443982497 0.0240979044 0.0334718829 0.0124470916 -0.0189330238 -0.0058663934 0.0094573476 -0.0048090077 0.0079711583 -0.0059034723 0.0031193188 -0.0173325194 0.1867346271 -0.0231078192 -0.0081990180 -0.0687649004 -0.0036937267 0.0232076808 -0.0106706132 0.0008378515 0.0228357304 0.0883340367 0.0756583308 -0.0002713597 -0.0830606277 -0.0235420297 0.0167197142 0.0133236515 -0.0096862575 -0.0174361175 0.0260510441 0.0789547007 0.0668860088 -0.0091809073 -0.0105328394 0.0128159312 0.0118652006 0.0065738950 0.0093314949 -0.0643152277 0.0740076911 -0.1203541995 0.0456424561 -0.0664204911 0.1179661242 -0.0193696899 -0.0126372273 -0.0032260993 0.0409097602 -0.0432400307 0.0211100847 0.0250249682 0.0284843934 -0.0098293485 -0.0161492581 0.0540715558 -0.0055782638 -0.0024229584 0.0007726479 -0.0114325229 -0.0137406371 0.0108951553 -0.0011441436 0.0347882959 -0.0428167100 -0.0174650417 0.0052205694 -0.0071126233 0.0026697620 -0.0525237322 -0.0190042344 -0.0198071853 0.0039758262 -0.0393979515 0.2305259040 0.0521670978 0.1000932178 0.0133781895 0.0926084974 -0.0278035456 -0.0171747860 0.0799289640 0.0647190606 -0.0294550341 -0.2615442666 -0.2136197569 0.2725481248 -0.1278230092 -0.1108120073 0.2309660442 0.0551336703 0.0269108844 -0.0667438358 -0.3723671775 -0.2825347420 0.3757765518 -0.1485997932 -0.1474979632 0.2019773635 -0.0264899595 -0.0228659585 -0.0083834975 -0.0023702847 0.0082405735 0.0042947244 0.1332448295 -0.0164278548 0.1428361391 0.0019038568 -0.0002478163 0.0006814773 -0.0021314713 -0.0030224281 -0.0009267674 0.0000357337 -0.0001443979 -0.0040367696 -0.0034899481 0.0028291750 0.0014249749 -0.0025905891 0.0009976097 0.0002460796 -0.0048639265 -0.0017745694 -0.0023703009 0.0118126084 -0.0052791163 -0.0031682751 -0.0005027610 0.0019613227 -0.0008967516 -0.0182366069 0.0076701353 0.0135407786 0.0048086366 -0.0012979504 -0.0026018972 0.0051693632 -0.0011684325 0.0059359453 -0.0163303749 0.0012496118 -0.0005395955 0.0522485626 0.0064234810 0.0049972468 0.0668616337 -0.0130381517 -0.0094690176 0.0020938578 -0.0050128492 0.0018642780 0.0250739447 0.0102078588 -0.0061102248 -0.0041187826 0.0014173885 0.0012709540 -0.0005938607 -0.0013167003 -0.0019922166 0.0001879281 -0.0007248054 -0.0002109475 0.0049100546 0.0142475021 0.0189181999 -0.0007806491 0.0008366135 0.0003459334 -0.0013654349 -0.0001266522 0.0051566265 -0.0019056852 0.0040360434 -0.0024436809 0.0004152413 0.0003701091 -0.0009458705 0.0012514089 -0.0008395675 0.0031685505 -0.0008414281 -0.0013076949 -0.0004767294 0.0016160915 -0.0041828948 0.0034532744 -0.0017097914 -0.0005475025 -0.0076876884 -0.0021409977 0.0076269696 0.0025206946 0.0048819320 -0.0209508514 -0.0045470968 0.0016367163 -0.0024463668 0.0006506030 -0.0029626146 0.0355191166 0.0153198010 0.0050209467 -0.0065045772 -0.0560301018 -0.0034567368 -0.0048936877 -0.1085543325 -0.0131095000 -0.0245923215 0.0930364658 -0.0298049753 0.0271647423 0.0136134866 -0.3044276953 -0.2044156165 0.2302200110 0.3953002770 0.2465503824 -0.3405577847 0.0003431489 -0.0650826155 0.0191858038 -0.2529612906 -0.1565948583 0.1687947816 0.3695046159 0.3021690535 -0.2820430703 0.0028524965 0.0004458992 -0.0275046586 0.0131099793 -0.0104252988 0.0097995495 -0.0283644405 0.0272996131 -0.0956966904 -0.0007851833 0.0000078803 -0.0009730845 -0.0013844233 0.0023367458 0.0017384760 -0.0007835461 0.0007625706 0.0004010011 0.0028020779 -0.0018631762 -0.0018328999 -0.0003235633 0.0004604278 -0.0026402524 0.0197543452 0.0053465809 -0.0051401865 -0.0230807766 -0.0021125975 0.0092403311 0.0009424693 -0.0007784648 0.0019265546 -0.0234310221 -0.0031589439 0.0087105052 0.0270880143 -0.0012018699 -0.0139088222 -0.0002240632 0.0001383339 -0.0005783177 0.0301125263 -0.0036341749 -0.0182571175 0.0467846012 0.0534600314 -0.0133667530 -0.2479731089 0.0554453339 -0.0180284768 -0.0401266313 0.0279858374 -0.0094876085 0.1953332764 0.2876151969 0.1274704160 -0.2019516408 -0.1737193531 -0.0255956018 -0.0018847955 -0.0336386913 0.0439796313 0.0514791873 0.1411419622 0.3228407911 -0.1374178848 -0.3123373898 -0.2673446187 0.0096389459 0.0016822087 -0.0615240055 0.1578906023 -0.2102788158 0.4651091956 -0.0396438803 0.0451218470 -0.2391921185 0.0199707892 0.0397513497 0.0190369047 -0.0182135240 0.0692237148 -0.0671436873 0.0177128152 -0.1211347858 0.0466786573 0.0059181860 -0.1228321979 -0.0148665378 -0.0003505530 0.0002031386 0.0032730072 -0.0036380452 -0.0095243259 -0.0036730820 0.0135994340 0.0008730789 -0.0038593586 0.0000275482 0.0010911070 0.0009911087 -0.0012917781 -0.0003565936 -0.0002880901 -0.0003942846 0.0002084895 0.0055498713 0.0018087358 0.0031525693 -0.0001097694 0.0018087481 -0.0011625941 0.0006358285 0.0014712645 0.0027973489 -0.0007217933 -0.0121878312 -0.0088718062 0.0095541519 0.0026938818 0.0005073908 0.0021650563 0.0008196016 0.0008411084 -0.0012282996 -0.0145434496 -0.0162590793 0.0213631154 0.0055273499 0.0056409765 -0.0047539503 -0.0030358055 -0.0020980289 0.0000600605 0.0021346807 -0.0009993399 0.0005827396 0.0033877766 0.0180071980 -0.0140178893 -0.0083370238 -0.0379272536 0.0165749179 0.0620676724 0.0182219283 0.0453742943 -0.0978184097 0.1335006519 0.0717896759 -0.0622601642 0.1080239504 -0.0278099819 0.0973292475 0.0071014902 -0.0015634642 -0.5876060598 -0.0399638249 0.2190272564 0.0357357145 0.0422967864 0.0090082267 0.0152564919 0.0121258287 -0.0391767777 0.1868005587 0.0482695170 -0.0524505773 -0.5930946183 0.0291816976 0.3183714870 0.0011385476 0.0003312113 0.0124626914 -0.0154577215 0.0040446207 -0.0087284640 0.0329095496 -0.0008581995 -0.0060172146 0.1186155891 -0.0359631231 0.0199983928 0.0063723613 -0.0031449328 0.0008324220 0.0306498882 0.0142946439 -0.0060380336 -0.0376477163 -0.0303897941 -0.0041811754 -0.0057110154 -0.0055097878 0.0019690681 -0.0021332476 -0.0048037906 0.0144561810 0.0034577597 0.0097410924 0.0181986634 -0.0018947159 0.0021594894 -0.0048835935 0.0187779555 -0.0254233338 0.0626665997 -0.0136676627 0.0182402358 -0.0444130076 0.0049226796 0.0044416323 0.0001156683 -0.0053996174 0.0089733651 -0.0010129836 -0.0030679859 -0.0132438429 0.0033876814 0.0059398167 -0.0205193827 0.0063287824 0.0008119512 -0.0018526770 -0.0071741744 -0.0080589095 0.0161581127 0.0074004130 0.0490558812 -0.0691612245 -0.0159240772 -0.0112658845 -0.0099996486 -0.0212098500 0.0004462101 0.0000553220 -0.0003417573 0.0000647937 0.0001663074 -0.0019222714 -0.0002095877 0.0005618094 0.0028661190 0.0010732334 -0.0010065062 0.0009966329 0.0002645493 -0.0012927055 0.0001738074 0.0063668954 0.0038932465 -0.0052403273 -0.0048392912 -0.0008316798 0.0004564233 -0.0010406892 -0.0010663967 0.0030295905 0.0028758431 0.0150731860 -0.0164685140 -0.0073438235 -0.0116237516 -0.0106269783 0.0014672872 0.0036710231 -0.0011443898 0.0002392958 -0.0007282126 0.0004367087 -0.0094791446 -0.0106526134 0.0008440200 0.0128246119 0.0401820672 0.0068000147 0.0026135492 -0.0662327072 -0.0973788861 0.1192652704 -0.1626355743 -0.0563825284 0.0245900949 -0.0834824027 0.0636309475 -0.0692923497 -0.0186668821 0.0685619390 0.0861134597 -0.1041922631 -0.0881149341 0.4967586204 0.0281941316 -0.2183506398 -0.0222330601 -0.0326252336 -0.0081320283 0.6454750124 -0.0452536638 -0.3041872025 -0.1737282163 0.0663465783 0.0528324921 0.0047746105 -0.0053622026 -0.0018217884 0.0236514047 -0.0063294672 0.0084661830 -0.0575735367 0.0135559428 0.0051102742 -0.1491493108 0.0442383331 -0.0249176382 -0.0085904671 0.0062208577 -0.0030874702 -0.0282547691 -0.0026195877 0.0142733965 0.0268383411 0.0150685571 0.0007264700 0.0056258708 0.0053889300 0.0033684784 0.0036208119 0.0043987319 -0.0025592132 -0.0149212776 -0.0350899927 -0.0422195788 0.0022463753 -0.0031456382 0.0005198212 -0.0113060378 0.0114422358 -0.0327486034 0.0106883631 -0.0098156878 0.0275031830 -0.0029388049 -0.0019152286 0.0015235663 0.0021393466 -0.0028703915 -0.0056039846 0.0023628727 0.0067320686 -0.0003915013 -0.0056182818 0.0124939230 -0.0089722471 0.0019454017 -0.0006237224 0.0147481405 0.0045136689 -0.0157610360 -0.0094282753 -0.0324886406 0.0472650530 0.0066375471 -0.0242399305 0.0414602862 -0.0204635716 -0.0017672253 0.0000726195 -0.0007501239 0.0000670476 0.0001375830 0.0083860310 0.0019005866 0.0040958339 -0.0006148651 0.0017574992 -0.0028473887 0.0029541238 0.0016694133 0.0033256448 -0.0005287723 -0.0173339907 -0.0125509963 0.0150997312 0.0070786551 0.0028036892 -0.0003825246 0.0012686682 0.0005592007 -0.0024675440 -0.0202676172 -0.0222568901 0.0288395674 0.0102286570 0.0116897456 -0.0013157741 -0.0018224851 -0.0039608858 0.0012710745 0.0011824171 -0.0004204230 0.0000692874 0.0003801810 0.0211756165 -0.0177956858 0.0035921753 0.0194794148 0.0002897615 -0.0072547122 -0.0281175360 -0.0455698001 0.0513485509 -0.0749685924 -0.0342695068 0.0280030865 -0.0493371261 0.0230603007 -0.0398277452 -0.0047018443 0.0173400773 0.1455909085 -0.0160418905 -0.0676899122 0.1252891135 -0.0077361134 -0.0579404389 0.0022231134 -0.0130520463 -0.0043466169 0.0648340036 0.0156775443 0.0034052314 0.0367412812 0.0432105727 -0.0406611716 0.0330771193 -0.0478127135 0.0165673376 -0.1319809678 0.0517010306 -0.0318606714 0.4278324398 -0.0883036114 -0.0129014442 0.5596233199 -0.1345200138 0.0722234559 0.0284045043 -0.0342378513 0.0267913653 0.2096231398 0.0923049883 -0.0409881358 -0.1208477574 -0.0022977277 0.0156025701 -0.0212964810 -0.0505984996 -0.0397492249 0.0089570302 0.0793957357 0.1244687617 0.0672912665 0.1792060634 0.2592477243 -0.0095348948 0.0251924385 -0.0217991344 0.0519200058 -0.0812322001 0.2672395011 -0.0178325027 0.0223946366 -0.0464414536 0.0010539271 0.0247733058 -0.0098764514 0.0581274388 -0.0153572895 0.0585239041 0.0403630795 -0.1076679143 0.0178659585 0.0241286453 -0.1192783355 0.0752655805 -0.0045760156 0.0050672555 -0.0206969627 0.0035050949 0.0279232751 0.0254966896 0.0680824994 -0.0978807455 0.0001641827 -0.0131576251 0.0192743163 0.0011771909 0.0002639189 -0.0022785029 0.0024020673 -0.0016054288 -0.0028134809 -0.0128546562 0.0029271807 -0.0028830773 -0.0064202828 0.0043880327 0.0108768624 -0.0159149649 0.0023463971 -0.0078619959 0.0011694084 0.0496698665 0.0340248516 -0.0300019911 -0.0270922556 -0.0159152246 0.0164833237 -0.0072925452 0.0019422728 -0.0024590892 0.0626616007 0.0307013526 -0.0504159067 -0.0464958119 -0.0291973445 0.0580063351 0.0057143397 0.0184265760 0.0054954147 0.0026910251 -0.0062783371 -0.0009602361 -0.0826014359 -0.0268305968 -0.0313404021 -0.0010042096 -0.0056248159 -0.0005804427 0.0015352200 0.0102945501 0.0157294789 -0.0142047817 0.0221108938 0.0118333632 -0.0102180757 0.0150981431 -0.0066564503 0.0122597692 0.0006835202 -0.0048103283 -0.0407665204 0.0032375545 0.0185697217 -0.0360802651 0.0031187913 0.0165635353 -0.0034525900 0.0018633584 0.0034809477 0.0125435593 -0.0148312757 -0.0234860192 0.0020401249 -0.0157272578 0.0049330669 -0.0169423435 0.0233365364 -0.0021341525 0.0521411891 0.0029612801 0.0271558093 -0.2771995505 0.0511348645 0.0093306386 0.0127503030 0.0610660071 -0.0815164558 -0.0956122426 -0.0661323918 -0.0058334844 0.1322177368 0.1368942001 0.0150147037 0.4237170726 0.3664401453 0.0507025329 0.0298889523 -0.0366213857 -0.0625041191 0.0568136597 0.2369287966 0.1686449798 0.0220917531 0.1334759971 0.2533340326 -0.0187583189 0.0347635421 -0.0555510544 0.0377536116 -0.0610738632 0.2096590302 0.1014497931 -0.1206418774 0.3448894307 -0.0346442805 0.0316922338 -0.0059347996 0.1752728553 -0.0828794904 0.0831056368 0.1565898795 -0.1751174267 0.0395916373 0.0008805854 -0.1388979960 0.1098565541 0.0030257948 -0.0023501798 0.0055948582 0.0107681688 -0.0208354361 -0.0051055191 -0.0507467288 0.0521176587 0.0149476984 0.0027794264 -0.0027056630 -0.0006905347 0.0025022009 0.0021579500 0.0005651443 0.0004045570 0.0019372397 -0.0108748764 -0.0034986688 -0.0064761819 -0.0062997331 -0.0072822367 0.0023014829 0.0014472921 -0.0070443692 -0.0032630795 0.0052570953 0.0020958778 0.0020994438 -0.0083374632 0.0225585294 0.0167007997 -0.0257801708 0.0075112229 0.0006651154 -0.0026585190 -0.0197664201 -0.0016856532 0.0058567466 0.0027993668 -0.0074698450 -0.0048075336 0.0015954784 -0.0087744947 -0.0061548583 -0.0095262372 0.0086697905 -0.0002184538 0.0791364477 -0.0339931654 0.0863830006 -0.0007844260 -0.0011129945 -0.0013534755 -0.0002140513 0.0053660453 0.0056614151 -0.0023699676 0.0052569681 0.0058778358 -0.0020933408 0.0013235320 -0.0019381869 0.0041853216 0.0001043948 -0.0008227441 -0.0060155142 -0.0035452121 -0.0012870279 -0.0206177144 0.0037236192 0.0080591178 -0.0022010914 0.0029243840 0.0016215553 -0.0071523513 -0.0063004181 -0.0082920872 0.0099587065 -0.0142951862 -0.0003542973 -0.0062577799 0.0031152690 -0.0113402971 0.0106940032 -0.0072737433 0.0058981911 -0.0440287594 0.0433160048 0.0084393206 -0.0003172479 0.0149573497 -0.0332800600 -0.0038575323 -0.0017447021 -0.0002084142 -0.0203919124 -0.0170588973 -0.0034322410 0.0380957389 0.0295188507 0.0041824572 -0.0001018683 -0.0052638671 -0.0094160150 0.0047687943 0.0145773677 0.0172451355 0.0058961701 0.0285024354 0.0437134174 -0.0014703705 0.0042722549 -0.0054683322 0.0010777937 -0.0060013298 0.0279005956 0.0105573430 -0.0117215339 0.0362635958 -0.0054332319 0.0053118829 -0.0024352482 0.0279498098 -0.0135063509 0.0162572283 0.0247514007 -0.0269038437 0.0047099426 0.0018434194 -0.0234439282 0.0217694830 0.0017386410 0.0001223462 0.0077416470 -0.0053717948 -0.0000880205 -0.0019166103 0.0108566875 0.0094294834 -0.0002637490 0.0027026469 -0.0027888004 0.0011373317 -0.0183747837 -0.0035165131 -0.0460221415 0.0451221011 -0.0296697746 0.2609630274 -0.0393097607 0.0632697521 0.2162485615 0.0387943059 -0.1503510286 0.1372887333 0.0633553362 0.0467800201 -0.0692189099 -0.1443547474 -0.1003070892 0.1770495431 -0.2103226826 -0.1644845074 0.2549646178 -0.0508868371 -0.0219180890 0.0684540927 0.0774746365 0.1221930185 -0.1280261851 0.0860683457 0.0870828092 -0.2061863110 -0.0111488133 0.0227032427 0.0364143677 0.0464316372 -0.0403797022 -0.0034312552 -0.3641475722 0.2948502641 -0.5235622699 0.0054261857 -0.0054061863 -0.0030777832 -0.0174192444 0.0087076648 0.0226386049 -0.0118810206 0.0282196136 0.0098784580 -0.0271776094 0.0145803623 0.0016576833 0.0009328233 0.0004876057 -0.0001726638 -0.0095650907 0.0028154436 0.0060038679 -0.0041896493 0.0040511223 0.0004431403 -0.0022721204 0.0032876024 0.0019365997 -0.0043448716 -0.0075728977 -0.0114641437 0.0036548433 -0.0149722148 0.0042428728 -0.0053409929 0.0077271151 -0.0059000459 0.0131851808 -0.0323775002 -0.0050945473 0.0239151102 0.0076364290 0.0015690600 -0.2653451335 0.0061180221 0.0323682442 0.0941043550 0.0737319896 0.0098995821 -0.3156449380 -0.2556263422 0.0396321694 -0.2914347576 -0.1446048320 -0.0232681776 -0.0192356992 -0.0167378088 -0.0051401971 -0.0282384308 -0.1606253784 -0.0879040438 0.0083435351 0.0943868938 0.1676675936 -0.0098437064 0.0172957296 -0.0286599323 0.0489948395 -0.0523475829 0.1159077614 0.0417066958 -0.0894950849 0.1453297996 -0.0538096523 0.0684568906 -0.0393745594 0.2987185517 -0.1367881306 0.2092443000 0.2403095547 -0.3218053798 0.0425705685 0.0285416406 -0.2888334989 0.2548945839 0.0006728925 -0.0008278612 0.0050552996 -0.0062104376 0.0002905735 -0.0091193536 -0.0000915737 0.0143366514 -0.0098290937 0.0039231689 -0.0046135011 -0.0002130281 -0.0005481961 -0.0045534375 0.0166821603 -0.0219818614 0.0111000312 -0.0705895334 0.0294665611 -0.0013935294 -0.0678251865 0.0049881518 0.0491293176 -0.0521141335 -0.0054669923 -0.0035063408 0.0090722463 0.0141631808 0.0074125852 -0.0245003645 0.0221935950 0.0221369880 -0.0295647920 0.0078138820 0.0103542243 -0.0152697618 -0.0392984086 -0.0494460510 0.0648254845 -0.0218963729 -0.0127121322 0.0359488894 -0.0069382136 -0.0052501261 0.0093989269 0.0071065005 -0.0038509361 -0.0009456414 -0.0326733520 0.0580664004 -0.0678133130 0.0037142724 -0.0022841378 -0.0024744561 -0.0133308563 0.0037236658 0.0119144307 -0.0046034170 0.0136467586 0.0039943621 -0.0138149736 0.0039780377 0.0024128543 -0.0021470754 0.0005438703 0.0025211703 0.0007445915 -0.0025379520 -0.0023561235 0.0037515118 0.0054620232 -0.0033529302 0.0019445708 0.0038959093 -0.0014234012 -0.0266629244 0.0017513388 0.0076933895 -0.0154216490 -0.0101909983 0.0135656056 -0.0019247457 0.0027316300 -0.0043980558 0.0148378854 0.0001042950 0.0036514204 -0.0609617157 0.0133475840 0.0003862843 0.0492108727 0.0019037599 -0.0103654831 -0.0236369655 -0.0147633143 -0.0019068736 0.0420307784 0.0328361805 -0.0173899873 0.0918832088 0.0429444897 0.0076309381 0.0026881492 0.0006181672 -0.0068033806 0.0115812445 0.0418755908 0.0384473204 -0.0011274040 -0.0021833524 -0.0084529278 0.0023436912 -0.0015168902 0.0064503902 -0.0087508923 0.0109439190 -0.0167846302 -0.0071138643 0.0126975849 -0.0241427502 0.0092017849 -0.0136752673 0.0070472498 -0.0560009263 0.0246353503 -0.0405877756 -0.0385599245 0.0648029123 -0.0087773113 -0.0037779834 0.0573263657 -0.0421206252 0.0002935718 -0.0002447816 -0.0000750271 -0.0136008481 0.0072533306 0.0014616303 0.0336389746 -0.0186539359 -0.0070011295 0.0042021475 -0.0059620877 0.0006988804 -0.0053838783 -0.0222235063 0.0705057536 -0.0924185088 0.0406606425 -0.2921255334 0.1286372858 -0.0008651111 -0.2839389756 0.0328208796 0.2108166035 -0.2301693690 -0.0146309571 -0.0174828975 0.0328550433 0.0884667535 0.0532177060 -0.1013067159 0.0558963869 0.0609243481 -0.0821359187 0.0299463461 0.0479049957 -0.0565542548 -0.1768328017 -0.1380623457 0.2018858803 -0.1615266040 -0.1277787442 0.1459183347 -0.0292487382 0.0024621623 0.0618516412 0.0451986737 -0.0343723832 -0.0083896719 -0.3380988327 0.3233803516 -0.4824903395 0.1063420164 -0.0785640939 -0.0631914813 -0.3519992040 0.1349900229 0.3813927981 -0.1693797446 0.4753995382 0.1812385621 -0.5096050641 0.2003990842 0.0743404638 -0.0297254168 0.0039994377 0.0136903662 0.0728963467 0.0418085103 0.0096358865 0.0615626138 0.0580227861 -0.0536955245 -0.0286629810 -0.0068652239 0.0158489825 0.1565266227 -0.0558718612 -0.1231141564 0.1297993380 -0.0399965056 -0.0696266964 0.0023002253 -0.0027834392 -0.0056115135 -0.0104687501 0.0044269639 0.0001308963 0.0456454494 -0.0075911188 0.0021228165 0.0077384693 0.0027800109 -0.0041122315 0.0018812193 -0.0005918743 0.0037836388 0.0075172126 0.0033478837 0.0003158655 -0.0057048626 0.0116042234 0.0040894988 -0.0040969249 -0.0061886848 -0.0083921517 0.0033925359 0.0247076160 0.0297444955 0.0108287939 0.0170562164 0.0127876476 0.0025158630 -0.0002313614 0.0062963466 -0.0045846294 0.0031796235 0.0056099177 -0.0114974497 0.0160109745 -0.0398778280 0.0055946850 -0.0048890941 0.0013074129 -0.0276099936 0.0123903146 -0.0100733394 -0.0230916756 0.0234913063 -0.0046306743 0.0006706117 0.0221643724 -0.0165170520 0.0006544469 0.0001108601 0.0064785210 0.0070633346 -0.0081460108 -0.0023176191 -0.0201718671 0.0275899097 0.0081670882 -0.0006299080 0.0137939514 -0.0018995378 0.0000649231 0.0005194640 -0.0022657625 0.0026541879 -0.0001982346 0.0109962612 -0.0034812267 0.0000868663 0.0076079419 -0.0024834210 -0.0065588079 0.0069439067 0.0006560550 0.0003422237 -0.0007475207 -0.0006132684 -0.0001322221 0.0026883679 -0.0012157899 -0.0021506994 0.0029292897 -0.0018524152 -0.0010434642 -0.0003342469 0.0140513957 -0.0034230095 -0.0002705775 0.0057187552 0.0097083182 0.0077877024 0.0014427204 -0.0003335054 -0.0008894960 -0.0017498750 0.0008758515 -0.0002265388 0.0081067125 -0.0085606307 0.0127712149 0.0002031063 0.0006182543 0.0003759372 -0.0004244272 -0.0032511448 -0.0038672627 0.0011973945 -0.0029823907 -0.0031732779 0.0031370097 -0.0030402317 0.0009505099 -0.0027228716 -0.0001948682 0.0010709968 0.0065190614 0.0042684891 0.0023752699 0.0054293954 0.0047900672 -0.0055761070 0.0038779645 0.0011374410 -0.0017191085 -0.0230270499 0.0036133310 0.0125502633 -0.0174671122 0.0006004980 0.0113206353 -0.0001029282 0.0019594631 0.0030808557 0.0087009355 -0.0043344913 -0.0008117303 -0.0123196439 -0.0106509456 -0.0026021326 -0.0338870494 -0.0030202765 0.0178237076 0.0053639800 0.0077035977 0.0059085190 -0.0400591891 -0.0332786268 -0.0031729128 -0.0030107213 0.0124056989 0.0060038419 -0.0082981253 -0.0129910357 -0.0183633683 0.0068365280 0.0335200847 0.0533518584 0.0163333331 0.0425725193 0.0483744210 0.0024055360 0.0031035860 0.0072526683 0.0027565489 -0.0013070649 0.0240449605 -0.0145132967 0.0117006865 -0.0489913879 0.0052979996 -0.0044472107 -0.0000236029 -0.0281145329 0.0119811957 -0.0050173219 -0.0149214699 0.0196549192 -0.0045004139 0.0045410543 0.0218684089 -0.0053901247 -0.0004865490 -0.0004224733 -0.0030237257 -0.0058414726 0.0046138761 -0.0016229244 0.0128942823 -0.0103282249 -0.0069426111 0.0018121222 -0.0032893507 -0.0001246610 0.0329299944 0.0508214349 -0.1220235366 0.1579238726 -0.0320650105 0.3985799007 -0.2414616396 -0.0738803638 0.3625342829 -0.1563220040 -0.2904632659 0.3315486153 -0.0599543907 -0.0523778458 0.0862105998 0.1946658493 0.1557038267 -0.1168978160 0.2523463192 0.1201460393 -0.1804447698 0.0348059176 0.0388542705 -0.0660397216 -0.1455765176 -0.1274817067 0.1598592483 -0.1293283384 -0.1041179951 0.1424613364 -0.0118408333 -0.0067694733 0.0295827036 0.0136051329 -0.0080763909 -0.0047571102 -0.0985570118 0.1103455914 -0.1414617259 -0.0116214063 0.0049349309 0.0066185124 0.0384230000 -0.0060017695 -0.0282607970 0.0100119471 -0.0385803658 -0.0134361393 0.0459351262 -0.0078099217 -0.0130382343 0.0120087939 -0.0016713410 -0.0056179500 -0.0372790329 -0.0005540032 0.0153686903 -0.0314392999 -0.0021449826 0.0145067548 -0.0049393186 0.0036947434 0.0037127115 0.0134714374 -0.0144404246 -0.0280835553 0.0161325649 -0.0201071153 -0.0010129967 -0.0058982349 0.0106856286 -0.0096468951 0.0282950502 -0.0301766912 0.0038957344 0.0137925829 0.0286319206 0.0112667019 -0.2722207093 0.0371304686 -0.0050934373 0.0396028587 0.0492272193 0.0415799749 -0.2497823115 -0.1970938974 0.0128092662 -0.0380619191 0.1274510715 0.0454953154 -0.0563297496 -0.0933844716 -0.1284537810 0.0456070592 0.2620260704 0.3762713038 0.1256830023 0.2934332442 0.3210969432 0.0192125312 0.0179144732 0.0511230095 -0.0088356368 -0.0026740008 0.1753635387 -0.1014168778 0.1137652793 -0.3484259389 0.0420156216 -0.0333470917 0.0022703828 -0.2117754875 0.0913440372 -0.0390857810 -0.1381948584 0.1462639160 -0.0330027312 0.0255723612 0.1632790701 -0.0688850451 0.0007837830 -0.0011471056 0.0109486592 0.0021416939 -0.0100828894 -0.0132793524 -0.0405832880 0.0504424033 0.0007569539 0.0012049752 -0.0012539580 0.0001251946 -0.0040804740 -0.0062510645 0.0153360290 -0.0203234297 0.0051813939 -0.0497987375 0.0307781784 0.0103610180 -0.0444572867 0.0194997006 0.0352051913 -0.0396610021 0.0072002312 0.0085725983 -0.0113691254 -0.0355956119 -0.0283635508 0.0175266469 -0.0296802139 -0.0113506272 0.0192173166 -0.0041657133 -0.0062688473 0.0085569582 0.0180008992 0.0053969202 -0.0081395559 0.0329363688 0.0283955786 -0.0247758202 0.0009987337 -0.0044370777 -0.0078517058 -0.0045716206 0.0044770433 0.0013670308 0.0530529551 -0.0234960373 0.0515196661 -0.0062228531 0.0004604016 0.0030661521 0.0200463674 0.0048482987 -0.0037896978 0.0007088960 -0.0128299701 -0.0026100927 0.0164372356 0.0067569964 -0.0105933379 0.0129479549 -0.0029814441 -0.0065447451 -0.0357795820 0.0039958565 0.0205589493 -0.0372920686 0.0039109012 0.0129119069 -0.0114207943 0.0020883086 0.0066390739 0.0480212959 -0.0194935784 -0.0467779805 0.0477709539 -0.0208238178 -0.0209758945 0.0001502777 0.0035876825 -0.0080482408 -0.0038685394 0.0160392525 0.0022795452 -0.0120733584 -0.0329389296 -0.0045397562 0.0702744610 -0.0038671180 0.0128172298 -0.0364235392 -0.0321651908 -0.0024667788 0.0829060737 0.0811707854 0.0236886962 0.0988132361 0.1425887316 0.0124547881 -0.0153128150 0.0255409625 -0.0268903638 0.0486698312 0.0814963653 0.1939200872 -0.0349396151 -0.0836006725 -0.2052182861 0.0513320663 -0.0588749885 0.1295059986 -0.0388753348 0.1072204965 -0.3418985153 -0.1456222870 0.1326677085 -0.5399784877 -0.0397481775 0.0567020678 -0.0845063754 0.1262703523 -0.0775621631 0.2862785208 0.1804357360 -0.2378168799 -0.0219181917 0.0839859105 -0.1424143268 0.3419681177 -0.0006088167 -0.0009023256 0.0080027519 0.0104386824 -0.0126025267 -0.0008176476 -0.0256936840 0.0325782427 0.0127790514 -0.0017987926 0.0044390706 0.0006053026 0.0000938315 0.0001649985 -0.0006111940 0.0004994651 -0.0001460595 0.0005653352 -0.0005848192 0.0006254122 0.0025177049 0.0007480718 -0.0014988332 0.0013869792 -0.0004018080 -0.0003850121 0.0009326200 0.0019360555 0.0011270261 -0.0022669316 0.0016658063 0.0015400243 -0.0018084007 0.0003962649 -0.0001982434 -0.0003033194 -0.0044951927 0.0021027173 -0.0021305908 -0.0027521194 -0.0036333463 -0.0000663891 0.0007132490 0.0016090671 0.0006900643 -0.0000669563 -0.0005571469 -0.0002882772 -0.0073718688 -0.0012108161 -0.0032089682 0.0424489320 0.0008902551 -0.0195476563 -0.1464722137 -0.0635161407 -0.0070460947 -0.0057309468 0.0913210176 0.0153017630 -0.0966347227 -0.0851671391 0.0884108718 -0.1005275509 0.0253294285 0.0531169530 0.2696177419 -0.0303210220 -0.1551241474 0.3002360574 -0.0250047457 -0.1048754274 0.1101080665 -0.0191139566 -0.0659908493 -0.4266160737 0.1355085596 0.3648448707 -0.4358535077 0.1340102502 0.2066099934 0.0037745556 -0.0115830364 0.0232231586 0.0484200770 -0.0196700797 -0.0051174895 -0.1842572230 0.0220553979 -0.0141409793 -0.0363338406 -0.0223288696 0.0443022329 -0.0126029098 0.0041309653 0.0006333631 -0.0345928476 -0.0241374553 -0.0258774252 0.0636393256 0.0084048244 0.0053915327 -0.0042734793 -0.0026876694 -0.0134373985 0.0132628373 0.0288112554 0.0612398350 -0.0073648951 0.0038064156 0.0018656507 0.0065304106 -0.0053616288 0.0171960244 -0.0010730581 0.0075682664 -0.0196956809 -0.0230879902 0.0242578604 -0.0868129534 -0.0038312038 0.0055919709 -0.0114068734 -0.0001198720 -0.0027754279 0.0336483764 0.0374085960 -0.0260849365 -0.0040004890 0.0180793107 -0.0056526636 0.0604530037 -0.0022447528 0.0023047608 -0.0248932676 -0.0431096113 0.0515268047 0.0178071242 0.1175329380 -0.1560467766 -0.0404299379 0.0030224485 -0.0248849753 0.0012640393 -0.0011443200 -0.0006526249 0.0018888617 0.0006735070 -0.0045218304 0.0027655934 -0.0004834282 -0.0030036737 -0.0053329714 0.0004187562 0.0042425704 -0.0049026477 0.0028146275 0.0024203903 -0.0085305692 -0.0060136072 0.0041333278 0.0265176766 -0.0045393372 -0.0220971282 0.0243796551 -0.0031326291 -0.0048595178 0.0093353171 0.0174026446 0.0320223992 -0.0388990609 0.0089972722 0.0011313876 -0.0245692801 0.0024078587 0.0029473733 -0.0070868926 -0.0024376924 0.0014303854 0.0016637877 0.0181173518 -0.0351632236 0.0388490115 -0.0005161082 0.0007648171 -0.0003785209 -0.0010364097 -0.0016279092 -0.0024699311 0.0004078354 0.0013015813 0.0044361518 -0.0015872526 -0.0054126302 0.0032666801 0.0019108840 -0.0040164729 -0.0013427171 0.0082289926 0.0156153876 0.0180031864 -0.0107155069 0.0244815989 -0.0106970122 -0.0041833246 -0.0007008521 0.0027382466 0.0201819691 -0.0014028007 -0.0081342572 0.0132610696 0.0033822084 -0.0091092171 -0.0016440254 0.0005375162 0.0087771185 0.0194728368 0.0495587190 -0.0300651666 -0.1642239585 -0.4915973794 -0.1002894508 -0.0812144594 -0.1688131720 0.4722408884 0.0112021025 -0.0176831820 -0.0218263673 -0.0462303155 0.0669355875 0.2755880845 -0.1676796510 0.2127568921 -0.0180190862 -0.0056058538 -0.0220499727 0.0212234726 -0.0854302099 0.2148873864 -0.1354257574 0.2186530716 0.0698437136 -0.1256438479 -0.0098260374 0.0176318665 -0.0012212965 0.1658805602 -0.0438771181 -0.0497725333 -0.0075332264 -0.2016394980 -0.0064985299 0.0054073841 -0.0017263410 0.0000908936 -0.0641106073 0.0158428245 0.0819280949 -0.0428542354 -0.0752290652 0.0150035431 -0.0047513224 0.0836943790 -0.0371590433 0.0006311720 -0.0004261175 -0.0049508280 0.0029000701 0.0020597136 -0.0001093125 0.0055699804 -0.0226792541 -0.0068105747 0.0004990752 0.0005971311 -0.0011213588 -0.0003102711 -0.0005505274 0.0013370730 -0.0046537652 0.0045801617 -0.0074782046 0.0060389664 0.0032601730 -0.0074444219 0.0001955183 0.0032012669 -0.0031415329 -0.0037867173 0.0005837750 -0.0029456375 0.0015472575 0.0191639291 0.0341218081 0.0323081359 -0.0169147068 0.0141739226 0.0136472399 -0.0012405387 0.0156411853 -0.1350098954 0.0833608450 -0.0599187281 -0.0330682650 -0.0874780024 -0.1263529080 0.0000977728 0.0031773091 0.0005276159 0.0017479068 -0.0020690703 -0.0002737698 -0.0103639377 0.0107918602 -0.0137451939 -0.0031811405 0.0006155352 0.0007324248 0.0049492214 0.0027398557 0.0003288970 -0.0021394566 0.0028343924 0.0098212736 -0.0040416374 0.0001596511 0.0009900319 0.0134633527 -0.0118948194 -0.0098499424 -0.0075691149 0.0407927894 0.0574301086 -0.0506870700 0.0539682939 -0.0154618461 -0.0271146967 -0.0151050113 0.0084989260 0.1359420520 0.0801284325 0.0699108384 0.0772577260 0.1306108023 -0.1061372850 0.0140094007 -0.0193398852 0.0154941054 0.0192979382 0.0202234477 -0.0158299153 -0.1129894763 -0.2426223684 -0.0521893544 -0.0512174190 -0.0898536427 0.2532317042 -0.0162162137 0.0284826831 0.0184330715 0.0353966721 -0.0554979094 -0.2824168141 0.1903250671 -0.2189933588 0.0153464455 0.0124144738 0.0262720274 -0.0356618451 0.1349610219 -0.3070369560 0.2201597460 -0.3412598138 -0.1093585513 0.2105198719 -0.0078286408 0.0090394687 -0.0010759825 0.0457615475 -0.0166943799 0.0195458079 -0.0135053502 -0.0226485660 -0.0203871431 -0.0089934814 -0.0149261258 0.0018697260 -0.0504053007 0.0307108692 -0.1374303463 0.1860479432 0.1170563549 -0.0184502895 0.0459115315 0.0373471807 0.1563015731 -0.0018240901 0.0016248038 -0.0146967102 -0.0179359006 0.0245391889 0.0090513812 0.0482222115 -0.0725064977 -0.0157212844 0.0010276910 0.0019094566 -0.0016953106 -0.0000482030 -0.0001866966 0.0013213587 -0.0050440530 0.0043345614 -0.0109432581 0.0056795742 0.0023511312 -0.0093879545 -0.0002056855 0.0041975236 -0.0039932035 -0.0079258970 -0.0021783346 -0.0041093384 0.0199154325 0.0502391681 0.0581961234 0.0644292284 -0.0338267876 0.0254926505 0.0226866209 -0.0005017383 0.0240501291 -0.2127997998 0.1366389417 -0.0993310369 -0.0718910508 -0.1586605866 -0.1891754969 0.0006787805 0.0076756050 -0.0057265096 0.0010759138 -0.0020015092 0.0013228836 0.0042195275 -0.0184087975 0.0172079195 -0.0037321513 -0.0091941564 -0.0024492770 0.0594719014 0.0746590464 0.0645321597 0.0172197443 -0.0269599197 0.0172791448 -0.0301617406 0.0908380779 -0.0419138114 0.0147523008 0.0239317277 -0.0059308570 -0.1074217224 -0.1468701975 -0.1483828054 -0.0101226997 -0.2146434808 0.1316949559 -0.0341833838 -0.0412100311 0.0026297488 0.2071373595 0.2381372023 0.2818340919 0.0575543714 0.3682743503 -0.2010063106 0.0062234680 -0.0086149063 0.0142453968 0.0176720557 0.0069201327 -0.0068559965 -0.1023020549 -0.1169858990 -0.0265712107 -0.0257730058 -0.0458243842 0.1268942844 -0.0044935468 0.0021713654 -0.0021854768 -0.0087014217 -0.0026799346 -0.0080281961 0.0262336218 -0.0006269560 -0.0002122481 0.0002618980 -0.0007206276 -0.0014089177 0.0019697305 0.0038901220 0.0077677791 -0.0035774047 -0.0006542430 0.0035966007 -0.0032764197 0.0045091483 0.0005649034 0.0437896856 -0.0129147173 -0.0081981053 -0.0059285533 -0.0449256612 -0.0117873829 -0.0014771080 -0.0029632396 -0.0007847051 -0.0260211852 0.0104682801 -0.0099944715 0.0389027909 0.0064993001 -0.0011230309 0.0113353792 0.0264873293 0.0352257187 -0.0020357947 0.0024272732 -0.0131412629 -0.0129564338 0.0180768898 0.0053926081 0.0379442150 -0.0494405962 -0.0125409174 0.0058098178 -0.0057179454 -0.0015674969 -0.0012523870 -0.0011950844 -0.0033416279 0.0002222640 0.0034304934 0.0053723243 0.0071702625 0.0216157513 0.0341674337 0.0227611947 -0.0211787207 0.0188191345 0.0168816737 0.0060896390 0.0097386612 -0.0570856620 -0.1259490183 -0.1355879926 -0.1527962038 0.0818261224 -0.0615348022 -0.0382900551 -0.0047437738 -0.0334216455 0.3489080400 -0.2046273997 0.1390316821 0.1361942398 0.2703015030 0.2847108323 -0.0019854338 -0.0062836303 0.0063501301 0.0013395616 0.0006059771 -0.0011735781 -0.0220855878 0.0179478330 -0.0241224650 -0.0025201645 -0.0007871024 -0.0013952822 0.0090692509 0.0069272637 0.0038187008 -0.0018603590 0.0150683016 0.0313980588 -0.0241253559 -0.0002949198 0.0078959491 0.0168351456 -0.0061568637 -0.0114903542 -0.0289211849 0.0103462629 0.0246357315 -0.0517469539 0.0108751622 0.0104661579 -0.0384808818 -0.0466892170 0.0018130905 0.2352821278 0.2611198980 0.3072921586 0.0614671192 0.3987814222 -0.2205538864 0.0058504924 -0.0115272585 0.0141285966 0.0093598870 -0.0353293584 0.0104911032 0.0345932616 0.2604975175 0.0442594945 0.0275035040 0.0698610271 -0.2207435756 0.0027377809 -0.0027311974 -0.0000477237 -0.0242545093 -0.0095027394 0.0419746989 -0.0386306192 0.0237792289 -0.0003141418 -0.0104256711 -0.0174635184 0.0167429717 -0.0761374138 0.1777504932 -0.1093115047 0.1942928795 0.0685384856 -0.1111524132 0.0082954326 -0.0096227788 0.0031594675 -0.0670726881 0.0197166765 0.0060811315 0.0060849886 0.0676471890 -0.0026100752 0.0034976621 0.0124568297 -0.0020721178 0.0659071222 -0.0299385876 0.0697033580 -0.1082224057 -0.0577078827 0.0079931437 -0.0288213368 -0.0642278811 -0.0885503373 -0.0016563486 0.0016961260 -0.0141748216 -0.0226874230 0.0277606227 0.0081373474 0.0532655314 -0.0683250510 -0.0193250370 0.0077017309 -0.0074235990 -0.0013888683 0.0009115684 -0.0000107988 0.0016048000 -0.0059910972 0.0075634248 -0.0096447270 0.0044461369 -0.0033757871 -0.0188053809 -0.0109876294 0.0083009839 -0.0070295425 -0.0116445991 -0.0057738537 -0.0042384495 0.0423721588 0.0830622587 0.0786613352 0.0946118136 -0.0491667119 0.0352804295 0.0313131093 0.0055534514 0.0269564256 -0.2809992396 0.1666660717 -0.1112280093 -0.1156091840 -0.2232787283 -0.2297371602 0.0012770896 0.0015339221 -0.0043127879 -0.0008005251 0.0003897465 0.0002464712 0.0188819823 -0.0087967449 0.0144573294 -0.0003733606 0.0013440666 0.0028764318 -0.0168535474 -0.0136218050 -0.0074723426 -0.0105672203 0.0033559138 -0.0218942470 0.0200842248 -0.0078207369 -0.0020464849 0.0021517346 -0.0083834852 -0.0021448014 0.0110141658 0.0418347656 0.0509392945 -0.0153228081 0.0572525527 -0.0287108434 -0.0013320085 0.0092620653 0.0036211786 -0.0112355215 -0.0494997211 -0.0731443458 0.0193526748 -0.0747045940 0.0226599147 0.0079276360 -0.0118430957 -0.0011958259 0.0125368638 0.0070366280 -0.0071656869 -0.0341881060 -0.0780838212 -0.0195388010 -0.0568639810 -0.0205328888 0.0913028337 -0.0303983666 0.0435896174 0.0387791002 0.0898152153 -0.0744573061 -0.4730165537 0.2872611875 -0.3950373588 0.0375706526 -0.0249057054 -0.0424915907 0.0269385983 -0.1440847398 0.3426873014 -0.1666111749 0.3523289322 0.1310447670 -0.1818514963 -0.0013686405 0.0020180693 0.0115135446 0.0585249599 -0.0230554568 -0.0021100450 -0.0270403426 -0.0443371688 -0.0729555813 -0.0136280394 0.0135455842 0.0082054522 0.1745316444 -0.0462906046 -0.1441646249 0.0411495889 0.1118480696 -0.0119107913 -0.0200421602 -0.2008008548 0.0074644789 -0.0011321708 0.0010027008 -0.0012682797 -0.0079026312 0.0099606937 0.0045786395 0.0124381074 -0.0256644143 -0.0029304827 -0.0022532995 0.0039391903 -0.0003009118 -0.0003808634 0.0003955236 0.0000451732 0.0030563393 -0.0066132709 -0.0005876465 -0.0034594225 -0.0014849258 0.0044942221 0.0055381217 0.0002763207 -0.0007354209 0.0014525867 0.0014794050 -0.0001237471 -0.0085486609 -0.0124955863 -0.0082627792 -0.0115826513 0.0058282993 -0.0039076366 -0.0054245130 -0.0019747061 -0.0037157577 0.0487568993 -0.0273181231 0.0170496407 0.0236758653 0.0405074782 0.0365906820 -0.0011074193 0.0015255054 -0.0015792521 0.0008660070 -0.0005561379 0.0009006547 -0.0005670864 -0.0056207477 0.0043058614 -0.0065847378 -0.0118832468 -0.0139323651 0.1859038669 0.1638192534 0.1014123569 0.1054323914 -0.1210373744 0.1006599768 -0.1028851084 0.1535156914 -0.0526548619 -0.0154882810 0.0349440886 0.0111856633 -0.0468566449 -0.2063491910 -0.2478372474 0.0794707928 -0.2850874910 0.1360010326 0.0112026275 0.0126179515 0.0011499899 -0.0692045361 -0.0564778026 -0.0612222278 -0.0086580469 -0.0811203454 0.0474407416 -0.0050826854 0.0065870093 0.0010680902 -0.0072549007 0.0035719890 0.0001052265 0.0317312515 -0.0073489355 0.0008193553 -0.0039616522 0.0031917339 -0.0022011065 -0.0012636133 0.0044861034 0.0047400876 0.0129035812 -0.0060941704 -0.0472852493 0.0218542278 -0.0394917140 0.0038521169 -0.0013616536 -0.0017407237 -0.0009015995 -0.0019066195 0.0059779281 0.0018455641 0.0054694724 0.0032276153 -0.0012287544 0.0017916536 -0.0008404120 0.0031192561 -0.0139932995 0.0068081981 -0.0001275697 -0.0018053699 0.0170213569 -0.0077731949 0.0001302679 0.0037886866 0.0025144650 0.0490080507 -0.0166877499 -0.0118338858 -0.0363609775 0.0138804402 -0.0009378985 -0.0142748956 -0.0520167697 -0.0372378114 0.0006574994 -0.0009839882 0.0021517764 0.0105382205 -0.0104137321 -0.0046606379 -0.0237771083 0.0230016689 0.0046417430 -0.0003049478 0.0003783032 -0.0002632556 -0.0028863280 -0.0255020532 -0.0142011822 -0.1790984159 0.3369586025 -0.0438814233 0.2746705271 0.2984175069 0.0327981024 0.0030321161 -0.1850371835 0.1937095458 0.0087354478 -0.0146584766 0.0260414928 -0.0412692941 -0.1391730403 -0.1720092196 -0.1581271784 0.1301450834 -0.1385250432 0.0227633895 0.0049623055 0.0186242119 -0.1801118715 0.1172603511 -0.0804875736 -0.0774270695 -0.1518699166 -0.1495780269 0.0047987132 -0.0032752118 0.0011880946 -0.0043384788 0.0032405809 -0.0021938931 0.0149109029 0.0012635833 0.0073554892 0.0099409146 0.0157645714 0.0148611036 -0.2334295457 -0.2075802389 -0.1321598397 -0.1267313703 0.1558786637 -0.1116042853 0.1176523629 -0.2040511034 0.0761744370 0.0146008961 -0.0368374969 -0.0103147672 0.0677634668 0.2273262071 0.2646515202 -0.0813228396 0.3157005364 -0.1512975766 -0.0069721274 -0.0121328596 -0.0024182019 0.0498533782 0.0439798493 0.0524527645 -0.0037402625 0.0637522781 -0.0322015905 0.0035819303 -0.0049052615 -0.0003402144 0.0042506446 -0.0036559079 0.0003088475 -0.0150736272 0.0168150758 0.0016001300 0.0071495333 0.0007375970 -0.0094022241 0.0016348103 -0.0039265956 -0.0036732983 -0.0101047392 0.0052858805 0.0408522197 -0.0218772576 0.0334650815 -0.0032136371 0.0011621002 0.0016840175 0.0003123559 0.0027483383 -0.0077084987 0.0000471841 -0.0070341510 -0.0035741939 0.0021487680 -0.0005352231 -0.0001839328 -0.0019654643 0.0013377280 -0.0017579609 0.0008643015 0.0023122480 -0.0030854739 0.0071731013 0.0003775027 -0.0020081192 -0.0016037946 -0.0283423971 0.0090940001 0.0116551385 0.0149760567 -0.0115438618 0.0009644669 0.0071785813 0.0306498242 0.0168603360 -0.0004342145 0.0005848364 -0.0017019575 -0.0073870109 0.0076742138 0.0034275925 0.0169912686 -0.0170981152 -0.0034529504 -0.0003756690 0.0000849695 0.0002868589 0.0000290339 -0.0259206859 -0.0124064754 -0.1780163030 0.3512004763 -0.0051646908 0.2649542337 0.2713265982 -0.0027159299 -0.0536456677 -0.1741693825 0.1885275607 0.0143322620 -0.0117879585 0.0198434555 -0.0553425383 -0.1526320473 -0.1593242758 -0.1696600872 0.1250495257 -0.1323181582 -0.0039759280 0.0001117629 -0.0043636953 0.0692780750 -0.0229703169 0.0079590121 0.0123461791 0.0297837089 0.0583215848 -0.0016538253 0.0036602584 -0.0004500227 0.0012510941 -0.0008604408 0.0011183497 -0.0071168243 -0.0080322344 0.0028166315 0.0009239836 0.0043139683 -0.0019860387 -0.0054945736 -0.0329471456 -0.0403522932 0.0026149849 0.0214265643 0.0402210478 -0.0204109644 -0.0554424237 0.0392370663 -0.0000015456 -0.0064739620 -0.0024483609 0.0202462072 0.0455383951 0.0467884788 -0.0083025856 0.0578432872 -0.0325840387 0.0010363906 -0.0009073686 -0.0007362228 -0.0053756347 -0.0011346157 0.0015309154 -0.0025971826 -0.0024533584 0.0016944782 0.0004397653 -0.0005026936 0.0006753653 0.0001657603 -0.0010075230 0.0000444427 0.0019255922 0.0063546499 0.0007884230 0.0007463500 0.0010485596 -0.0049241230 0.0006688122 -0.0004214277 -0.0003141476 -0.0019877664 0.0003410707 0.0068806088 -0.0056497783 0.0057777863 -0.0005154269 0.0003677457 0.0006972801 -0.0014191533 0.0040955658 -0.0077347771 0.0061708943 -0.0087530867 -0.0028687635 0.0049085031 0.0013632565 -0.0005434015 0.0011456098 -0.0116397234 0.0056024071 -0.0003784789 0.0011313024 0.0112967397 0.0007780599 0.0011919399 0.0020135401 0.0008808831 0.0205284354 -0.0085373630 0.0082177828 -0.0309638527 -0.0038561205 0.0010771425 -0.0089040864 -0.0196982471 -0.0282375423 0.0000043324 -0.0000949887 -0.0006984404 -0.0008811340 0.0011494199 0.0004396285 0.0017127839 -0.0037371305 -0.0009899910 -0.0002271519 0.0001422943 0.0002186379 -0.0322435857 0.0238311526 -0.0061096900 0.1366619171 -0.4007200504 -0.2829164890 -0.1147957159 0.0527329751 0.3563089550 0.5613969373 -0.0064454926 -0.0478372063 0.0033697506 0.0089131756 0.0414181085 -0.0775867753 -0.1948303725 -0.3017344211 -0.2227837899 0.1680066062 -0.1302336837 0.0141498107 0.0005591757 0.0090915801 -0.1081702341 0.0408485946 -0.0143589564 -0.0194276265 -0.0568077719 -0.0827159694 0.0004607747 0.0006141919 -0.0028113292 0.0007400679 -0.0002941401 0.0008344849 0.0005960464 0.0004905310 -0.0033724492 0.0018291752 0.0008840547 0.0031230857 -0.0413259612 -0.0228610132 -0.0053853671 -0.0241157458 0.0204272751 -0.0369428615 0.0288385727 -0.0131712292 -0.0027522520 0.0019444275 -0.0021159544 -0.0000183147 0.0031833046 0.0126816911 0.0163086288 -0.0076658746 0.0208429440 -0.0074278477 -0.0006559372 -0.0018038528 -0.0003329997 0.0070861427 0.0072928367 0.0094893962 -0.0027535641 0.0116293182 -0.0039111689 -0.0010259445 0.0024718927 0.0010925848 0.0057253197 0.0145892976 -0.0074711825 -0.0707839931 -0.1386959967 -0.0298362306 -0.0227994615 -0.0457560832 0.1325280304 -0.0033368950 0.0029547500 0.0003589956 0.0048524627 -0.0025776421 -0.0295395985 0.0318634658 -0.0007941132 0.0004397238 0.0048020690 0.0097004464 -0.0265599474 0.0718992419 -0.1219103630 0.1237900819 -0.1531177620 -0.0480720852 0.0887173206 0.0178091268 0.0035754788 0.0250113130 -0.0944095188 0.0726285884 -0.0377263077 0.0019722346 0.0761912386 -0.0262954501 0.0183925198 0.0343986730 0.0185544430 0.3732001549 -0.1524397636 0.1179151177 -0.5246963122 -0.0440225288 0.0178906190 -0.1563861839 -0.3573518225 -0.4879831670 0.0002468512 -0.0005119657 -0.0005251022 0.0018357132 -0.0021181069 0.0004352227 0.0015811922 -0.0021536011 0.0004396636 0.0002624740 -0.0005549021 -0.0000449529 0.0020240869 -0.0002187270 0.0009326340 0.0007608026 0.0075101558 0.0196427009 -0.0064141653 -0.0169526306 -0.0213929033 -0.0328210681 0.0085595444 -0.0057877062 0.0006565327 0.0010662517 -0.0031408017 -0.0000028963 0.0071306525 0.0173814513 0.0097455329 -0.0099044360 0.0098854693 -0.0041904859 -0.0013185735 -0.0027741326 0.0335883980 -0.0181564054 0.0105309846 0.0161916801 0.0286709717 0.0244191716 -0.0004124768 0.0005036873 0.0008646404 0.0006291324 -0.0005945387 -0.0000541634 -0.0060758838 0.0026200773 -0.0044584317 0.0159385188 -0.0185184308 0.0383873793 -0.3775430796 0.0059053123 0.2265097808 -0.2412602320 0.0567393881 -0.6155442896 0.3939758367 0.2371023410 -0.2778976986 0.0016869524 0.0111169817 0.0244716034 0.0048218169 -0.1345369265 -0.1364453746 0.0128724853 -0.1019371859 0.0825441247 0.0006998102 0.0014687131 -0.0000142247 0.0291235380 -0.0071617769 -0.0187362410 -0.0254301722 -0.0008408496 0.0203879961 -0.0007551161 0.0004968613 0.0002870016 -0.0014029935 -0.0005679968 0.0004090658 0.0096682008 0.0086453069 0.0020049008 0.0010694296 0.0032819486 -0.0092295449 0.0002905567 0.0002336002 0.0005045771 0.0009573499 -0.0002772491 -0.0019642819 -0.0012144736 -0.0031002249 0.0002915264 -0.0002372735 -0.0003911580 0.0008980824 -0.0024459439 0.0037980090 -0.0039339417 0.0050089469 0.0015967401 -0.0027822215 -0.0004583875 -0.0004313010 -0.0009690458 0.0007571584 -0.0020812365 0.0025039098 0.0001031318 0.0005934403 0.0009934693 -0.0006249875 -0.0011720127 -0.0007373525 -0.0132571050 0.0054552425 -0.0040785946 0.0187635837 0.0013720377 -0.0007017025 0.0056849433 0.0124198948 0.0176671300 0.0002311582 -0.0002256848 0.0008134242 0.0012063011 -0.0009454819 -0.0006090151 -0.0027672421 0.0021328499 0.0002002080 -0.0008645957 0.0010105255 -0.0023091562 -0.0023651540 0.0022340973 -0.0004694906 0.0133269040 -0.0365128132 -0.0227370406 -0.0131282307 -0.0002276627 0.0278966502 0.0445666315 0.0025819774 -0.0074267051 -0.0010649842 0.0003688451 0.0030934363 -0.0003625827 -0.0051019149 -0.0165562962 -0.0076608766 0.0071653490 -0.0045560935 0.0066906016 0.0008237689 0.0060601860 -0.0625175580 0.0356643242 -0.0228352695 -0.0216784469 -0.0446761446 -0.0518580309 0.0010820390 -0.0004810954 -0.0003434809 -0.0007253702 0.0005104855 -0.0004242076 0.0038279773 0.0000802671 0.0017420475 -0.0232109806 -0.0323865574 0.0043028784 0.2813918043 0.3326187489 0.2791440905 0.1175459296 -0.2859776887 -0.0756652479 -0.0140546664 0.4418614160 -0.2445459222 -0.0311432165 -0.0552084093 0.0002530198 0.1564199423 0.2221208489 0.2406128321 0.0126988831 0.3044661231 -0.2139033602 0.0086992792 0.0051181404 -0.0051182574 -0.0111320264 -0.0022630801 -0.0117867951 0.0023691365 -0.0204197414 0.0103806065 0.0202776931 -0.0306715861 0.0082981568 0.0208888527 -0.0135276946 -0.0017724292 -0.0719394427 0.0450330544 -0.0005440257 0.0102524491 -0.0062445053 -0.0074900412 -0.0014442326 -0.0021056684 -0.0031725785 -0.0157349009 -0.0028977424 0.0222286022 -0.0051254623 0.0193752392 -0.0027327595 0.0006106739 0.0010725440 0.0002468857 0.0025011841 -0.0011412417 0.0045920841 -0.0047351597 -0.0039548613 -0.0008823549 0.0027318191 -0.0011431882 -0.0032377939 -0.0181936275 0.0046863199 0.0073788937 0.0080108234 0.0138285670 0.0119553352 0.0047958576 0.0013780487 -0.0045165033 -0.0343815738 0.0036300046 0.0844514452 -0.0420302484 -0.0690522930 0.0088428266 -0.0008891507 0.0442634719 -0.0231055858 -0.0027673226 0.0031967707 -0.0135618947 -0.0341565671 0.0403052808 0.0165770046 0.0808618946 -0.0972315372 -0.0203038541 -0.0030508023 0.0026385775 0.0001237267 -0.0078250191 -0.0039460791 -0.0015984791 -0.0286873306 0.0237979455 -0.0552627588 0.0555133462 0.0836218439 0.0527916246 0.0853601441 -0.0439156333 0.0380638315 -0.0072956989 -0.0033830669 -0.0056450552 0.0142217025 0.0345736911 0.0347092996 0.0413080705 -0.0219968097 0.0098084978 -0.0067097502 -0.0019367209 -0.0065338601 0.0811671234 -0.0367111664 0.0184911826 0.0260614649 0.0516638947 0.0669451763 -0.0034502603 0.0074110043 -0.0048580476 0.0033139263 -0.0027416788 0.0028411806 -0.0075906054 -0.0228406929 0.0146777278 0.0036644176 0.0045641697 -0.0002425806 -0.0444646042 -0.0517715380 -0.0422971287 -0.0202128730 0.0456387282 0.0086448153 0.0041515150 -0.0662766598 0.0359921148 0.0057359938 0.0112940219 -0.0000958864 -0.0364222074 -0.0468472370 -0.0487513736 -0.0010670069 -0.0664858468 0.0446536044 -0.0012604853 -0.0022953351 0.0000407418 0.0041403676 0.0103793217 0.0160871723 -0.0044233479 0.0177067881 -0.0060566343 -0.0055922460 0.0088066661 -0.0045820089 -0.0046502942 0.0045565014 0.0003765493 0.0093015540 -0.0215655525 -0.0015901954 -0.0041843423 -0.0005281225 0.0101989118 0.0005434193 -0.0006920958 -0.0005015824 0.0021179192 0.0034843822 0.0063040077 -0.0023582162 0.0062653302 -0.0000955092 0.0001853941 -0.0000501376 -0.0005509784 0.0003080157 -0.0007956400 -0.0005438135 -0.0003861510 0.0006256523 0.0012702685 -0.0011078938 0.0005440515 0.0017790813 0.0071961015 -0.0011405044 -0.0045148866 -0.0032405160 -0.0058877783 -0.0042142575 -0.0020000728 -0.0004579628 0.0023494362 0.0188720997 -0.0029677607 -0.0383459933 0.0138923210 0.0319560340 -0.0039384843 -0.0012726757 -0.0229185672 0.0053136698 0.0006836876 -0.0006781951 0.0048653304 0.0086813466 -0.0115663942 -0.0042005109 -0.0214408874 0.0288926194 0.0066588712 0.0009176776 -0.0012931117 0.0003171260 -0.0371620502 -0.0148689897 -0.0035482322 -0.1037322534 0.0428538343 -0.2673372707 0.2100515594 0.3363316057 0.2389722037 0.4090061244 -0.1612323124 0.1289456470 -0.0535727336 -0.0164075584 -0.0395993704 0.1399282689 0.3207796428 0.3085823353 0.3690269211 -0.2046592523 0.1367563940 -0.0049292984 0.0043484405 -0.0169099554 0.1081648414 -0.0685939681 0.0513016459 0.0373421883 0.0777462967 0.0983305276 0.0002080138 -0.0051673331 0.0040125051 -0.0021519351 0.0020539703 -0.0018791796 0.0050186084 0.0047816124 0.0015753234 0.0030437170 0.0060064611 -0.0007267981 -0.0395342148 -0.0496032771 -0.0443297657 -0.0146436452 0.0397006928 0.0141227315 0.0016115612 -0.0685382666 0.0384951379 0.0088774235 0.0097392446 -0.0020970659 -0.0391546556 -0.0500753300 -0.0504725359 -0.0109989302 -0.0712134495 0.0506059262 -0.0089384292 0.0092536792 0.0082284455 0.0078297846 -0.0465705598 -0.0759473415 0.0427985600 -0.0651627305 0.0059134405 0.0145942455 -0.0214813231 0.0057906481 0.0091734878 -0.0086653299 0.0007517527 -0.0202271929 0.0490630779 0.0052462745 0.0005877996 0.0080508078 -0.0244911888 -0.0145621915 0.0191283191 0.0149389761 0.0380661783 -0.0461404689 -0.2430985296 0.1435449238 -0.1950247825 0.0121223809 -0.0021987165 0.0031048330 0.0079751065 0.0016017760 -0.0142062064 0.0142412585 -0.0164000332 -0.0138779710 -0.0024620296 0.0041073946 0.0165826666 -0.0220290220 0.0870004338 -0.0245126926 -0.0029829680 0.0276232681 -0.1573059369 0.0331334275 0.0298812694 0.0028490749 -0.0278322570 -0.2812323797 0.0431851720 0.5547325955 -0.2251943839 -0.4535203895 0.0622530210 0.0076482863 0.3503614828 -0.1114982270 -0.0019666786 0.0023269926 -0.0082374745 -0.0184054442 0.0230527834 0.0093019154 0.0408852159 -0.0536035997 -0.0100317346 -0.0020408577 0.0046014267 -0.0014036940 -0.0016022141 -0.0006848651 -0.0003503807 -0.0047098059 0.0022681350 -0.0125612952 0.0097855005 0.0160060918 0.0123368037 0.0193953245 -0.0082365090 0.0066961347 -0.0023364360 -0.0009574662 -0.0013654450 0.0071058385 0.0134531645 0.0095959682 0.0139489491 -0.0075040755 0.0044933387 -0.0006031030 -0.0004956054 -0.0006315079 0.0094554738 -0.0026277319 0.0005029710 0.0019097613 0.0041556885 0.0084537106 -0.0008633661 0.0024117265 -0.0025176248 0.0009305386 -0.0006297087 0.0009129191 -0.0000018095 -0.0110400657 0.0092290415 -0.0041919420 -0.0129789536 0.0006662191 0.0666776268 0.0838290615 0.0782758927 0.0212567013 -0.0597942212 -0.0209715280 -0.0071503888 0.1180996419 -0.0658998486 -0.0258037758 -0.0160847487 0.0100158115 0.0948566130 0.1082888028 0.1014624210 0.0486951729 0.1598556182 -0.1190641400 0.0379770042 -0.0386950118 -0.0339874598 -0.0434180362 0.1808501438 0.3064418231 -0.1913095707 0.2576482046 -0.0134822715 -0.0760575653 0.1142091291 -0.0405092879 -0.0666438984 0.0361223391 0.0110298554 0.2367552118 -0.0595997287 0.0170846343 -0.0207499074 0.0493721881 -0.0487573943 -0.0025039181 0.0102895887 0.0144137836 0.0661260402 -0.0101377219 -0.1661779230 0.0808335743 -0.1256780047 0.0129078060 -0.0013761247 0.0050338709 -0.0006433697 0.0113916104 -0.0451787865 0.0177019852 -0.0383067695 -0.0054132037 0.0268797599 -0.0158454674 0.0354649613 0.0077004912 0.2913507404 -0.0629223561 -0.1044050912 -0.0372294379 -0.3658452872 -0.0829659998 0.0050895276 -0.0021361309 0.0017426983 -0.0443117088 0.0051759268 0.0862028565 -0.0589093955 -0.0622285382 0.0150903830 -0.0093710044 0.0637526352 -0.0501206127 0.0101988950 -0.0105681706 0.0512788134 0.1108765045 -0.1380223214 -0.0543817943 -0.2649276052 0.3280106796 0.0695989990 0.0088967249 -0.0193676380 0.0069316147 0.0004324356 0.0005468605 0.0009297313 0.0036967131 -0.0056783627 0.0045781170 -0.0070050920 -0.0117852907 -0.0104344847 -0.0092454950 0.0091581714 -0.0083632041 0.0011623908 0.0013535897 0.0009754574 -0.0076947673 -0.0086819408 0.0010572569 -0.0036456855 0.0040189254 -0.0012441151 0.0041877053 0.0050171469 -0.0000196293 -0.0452526006 0.0026148523 0.0115326264 -0.0097690034 -0.0185068537 -0.0339121920 0.0060676756 -0.0176858631 0.0145397637 -0.0076625246 0.0059775708 -0.0062212494 0.0122772225 0.0601599762 -0.0440806435 0.0008083172 0.0025258674 -0.0002067824 -0.0102884990 -0.0119369141 -0.0115388267 -0.0018222713 0.0075128292 0.0032470915 0.0000873683 -0.0176777150 0.0105219911 0.0051805332 0.0029189481 -0.0021918578 -0.0185443430 -0.0241572294 -0.0228141703 -0.0085877963 -0.0360403405 0.0250901510 -0.0094911223 0.0097557422 0.0080071193 0.0119068859 -0.0446705205 -0.0775039840 0.0484862544 -0.0649772854 0.0030360938 0.0264834905 -0.0388431914 0.0094498640 0.0139739663 -0.0298752417 0.0082356075 -0.0042535063 0.2255069447 0.0353870376 0.0497437709 0.0472992041 -0.1644462306 0.0023991346 -0.0122900467 -0.0056479360 -0.0263673088 -0.0015987294 0.0798474019 -0.0337029071 0.0794238818 -0.0041664485 0.0004136871 0.0097656498 -0.0099695130 0.0255735242 -0.0574096684 0.0367267014 -0.0619962568 -0.0015995813 0.0473710887 -0.0313698447 0.0589913179 0.0363655734 0.5204510032 -0.1040309218 -0.2154500565 -0.0983352775 -0.6215675662 -0.2219519921 -0.0054800847 -0.0003507957 0.0182109715 0.1116993926 -0.0295340770 -0.1292569398 -0.0317896382 0.1226144389 -0.0049621122 -0.0337803131 -0.1131595118 -0.0691059489 -0.0042341789 0.0046517076 -0.0140308761 -0.0372763949 0.0446373180 0.0182785782 0.0822714355 -0.0994559137 -0.0196187779 -0.0037271179 0.0067671879 -0.0019824482 0.0001136443 -0.0000417582 -0.0004547332 -0.0005697632 0.0018676475 0.0000181261 0.0012324376 0.0022897511 0.0023838289 0.0008816399 -0.0025716249 0.0024328337 0.0001514321 -0.0009912627 0.0006411297 0.0037826610 0.0009188322 -0.0057343949 -0.0033899710 0.0012405461 -0.0019110911 -0.0003310193 -0.0011219761 0.0008221844 0.0065749707 0.0049542190 -0.0077955891 -0.0052643397 -0.0055801870 0.0075698371 -0.0022013063 0.0070197833 -0.0063503694 0.0024604544 -0.0020830583 0.0025747832 -0.0006024376 -0.0261770107 0.0206312809 -0.0034332355 0.0007535686 -0.0048925015 -0.0131907619 0.0055352441 0.0062109040 -0.0033759933 0.0009795424 -0.0015830301 0.0227050313 -0.0163400883 -0.0045163769 0.0034298802 -0.0093784414 -0.0014905085 0.0894357123 0.0521323944 0.0385228863 -0.0833608127 0.0986021276 -0.0153195003 0.0002101405 0.0006628330 0.0214415490 0.0211392484 -0.1016822100 -0.1180579853 0.0471701918 -0.0795771581 0.0453816915 -0.0163303025 0.0462653153 0.4280118692 -0.0131023613 -0.0024572790 0.0112764864 0.0116279919 0.0397982675 0.0270595781 -0.0464456620 0.0294014888 -0.0597594958 -0.0008155498 0.0072238738 -0.0039299667 -0.0256351620 -0.0157842587 -0.0002669865 0.0180108170 -0.0044132420 -0.0010514116 -0.0006579219 0.0003622932 0.0009775837 -0.0051504258 -0.0098327330 -0.0083762086 -0.0024227634 0.0020416882 0.0030053877 -0.0050118551 -0.0004717733 0.0078497324 0.0174255577 -0.0057935570 -0.0130809587 -0.0120065562 0.0098146253 -0.0677453080 0.0033197166 0.0010822192 -0.0030519213 -0.0016245332 0.0033875826 0.0045212583 -0.0048190698 0.0008952877 -0.0030671032 0.0037171789 -0.0143018600 0.0127418023 -0.0066454167 -0.0022121667 -0.2320272719 0.0604961264 -0.0310901091 -0.0787083394 0.0023371725 -0.1042119508 -0.0964602559 -0.0070330666 0.0119342979 -0.0366427537 -0.0079616401 -0.0008260844 0.0019593778 0.0037773789 -0.0160774630 0.0101754372 0.0040960609 0.0015134182 -0.0199731536 0.0135919271 0.0133581757 -0.0143822265 0.0109504184 0.0048351809 -0.0116589392 -0.0379443769 -0.0373719435 0.0679666505 -0.0372313680 -0.0166821382 0.0413636446 -0.0229709190 0.0402873345 -0.0081450428 0.0494495258 -0.0323802412 0.0455240928 0.0522039494 0.0768095278 -0.2189305634 0.2932269694 -0.3179875102 0.2271901328 -0.2205260716 0.1789912729 -0.1235239206 0.0453995185 0.2297303919 -0.4227787006 0.0022282343 0.0018420539 -0.0010637498 -0.0110595390 0.0019772204 0.0085270254 0.0025056571 0.0002773216 -0.0060549243 -0.0043846502 0.0020815135 0.0001778500 -0.0039904538 0.0001775595 -0.0035458250 0.0614210570 0.0122651070 -0.0075348934 0.0025191293 -0.0116861848 0.0012254706 -0.0058613744 -0.0015731091 0.0284002763 0.0331025735 -0.0925052585 -0.1001539153 0.0538416005 -0.0519262998 0.0299652670 -0.0858956239 0.1500449035 0.5399001163 -0.0098847428 0.0085354440 0.0207869411 0.0320608576 0.0305943366 0.0403004245 -0.0897919723 0.0535990405 -0.1075599773 -0.0034769878 0.0091614209 -0.0045278849 -0.0362668293 -0.0290083758 -0.0002733542 0.0247176145 -0.0077671509 -0.0009363080 -0.0022868398 -0.0001790594 0.0027473450 -0.0104049266 -0.0005687248 -0.0256840164 0.0195247433 0.0142366032 -0.0004153939 -0.0049513915 -0.0017031055 0.0073324833 0.0076850328 -0.0000897272 -0.0143210539 -0.0066931423 0.0194352827 -0.0550880996 0.0029550468 0.0008777817 -0.0039204088 0.0001720726 0.0017477609 0.0104533283 -0.0071477906 -0.0006232168 -0.0019621577 0.0038181533 -0.0131081371 0.0121761955 -0.0009656830 -0.0142142313 -0.2826996247 0.0919494280 -0.1351297846 -0.1279902628 -0.1029358640 -0.0160496192 -0.1164449057 0.0167221766 -0.0133684639 -0.0394492741 0.0066734026 0.0007200225 0.0016877072 -0.0074907374 0.0085492481 -0.0313991604 0.0028388694 0.0002627875 0.0140864764 0.0030579580 -0.0025018421 0.0073202592 -0.0090119174 -0.0081035849 -0.0050486227 0.0256400070 0.0371734629 -0.0337268775 -0.0100988292 -0.0140452654 -0.0093345666 0.0185461687 -0.0194344644 0.0136164234 0.1263526569 0.0546696500 -0.1119340497 -0.0424632967 -0.0442266550 0.2080661759 -0.3193135293 0.2543590778 -0.1863322081 0.2196413604 -0.1656621620 0.1102898867 0.0313607601 0.0232181920 0.2946517336 0.0000048754 0.0002169824 0.0001235050 0.0005484772 -0.0015667400 0.0015798869 0.0012407359 0.0006872893 -0.0004459460 -0.0013185082 -0.0007705290 -0.0019261758 -0.0001403508 0.0002459313 -0.0001264823 0.0003642745 -0.0022283143 0.0005861494 0.0015285273 -0.0026172676 -0.0001511045 -0.0000584974 0.0001602348 0.0000844047 0.0007147080 -0.0016315138 0.0012175407 -0.0007750548 -0.0004830177 -0.0019961053 -0.0004361123 -0.0002333509 -0.0001889217 0.0000886928 -0.0000867328 -0.0006631802 -0.0018503316 -0.0020668370 0.0029420297 0.0058279844 -0.0013848163 0.0040042544 0.0002970654 -0.0002977267 -0.0001429916 -0.0009248580 0.0016979888 -0.0007536425 0.0000398854 0.0002190393 0.0018826108 -0.0000866759 -0.0000604230 0.0000945897 0.0010011590 -0.0003041464 -0.0005306830 -0.0010711488 0.0008361053 -0.0005396669 -0.0001078813 -0.0000695042 0.0000289226 0.0001456538 0.0005108278 0.0000329867 0.0008189520 0.0001662247 -0.0003623774 0.0000420251 -0.0000238420 -0.0000591009 0.0001194493 0.0002130579 0.0001732089 -0.0000755649 0.0000134702 0.0003588669 -0.0004173232 -0.0000250458 0.0001644622 0.0002108202 0.0000565661 -0.0000782576 0.0007852469 0.0005459484 -0.0010885994 0.0017057118 -0.0017394134 0.0089513207 0.0001297850 -0.0001398707 0.0000196593 -0.0004820191 -0.0004439631 0.0001900353 0.0047255834 0.0022212110 0.0001597545 -0.0019135614 0.0020800852 -0.0005603097 0.0002087250 -0.0012190318 -0.0017597809 0.0000824823 -0.0006007126 -0.0007024015 0.0055201175 -0.0022070582 -0.0011471586 -0.0009588032 0.0102834758 0.0101793671 0.0032824560 -0.0019978297 -0.0007647259 0.0021239847 0.0049890556 0.0083536847 -0.0411157296 0.0281255234 0.0028968166 -0.0480920384 0.0419483220 0.0547606706 -0.0014749090 0.0012013175 -0.0014251085 0.5754619481 -0.5195213630 -0.6235085969 0.0001462030 -0.0000564295 -0.0000748777 -0.0005127830 0.0012366627 -0.0011007329 -0.0015701035 -0.0011449698 0.0004909845 0.0005865985 0.0006422427 0.0013135073 0.0000451315 0.0000026219 -0.0000303776 -0.0000527490 -0.0004207066 0.0002784532 -0.0002618152 -0.0000785038 -0.0000513666 -0.0002510845 -0.0003869365 0.0000648980 -0.0010637162 0.0044038026 -0.0034353469 0.0029331781 0.0016505625 0.0044224369 -0.0011860557 0.0006246061 0.0017560188 -0.0162506009 -0.0725846413 -0.0169221901 0.0099086338 0.0104799842 -0.1952240063 0.1738437022 0.8639297853 0.3945063046 -0.0063613120 0.0065024525 0.0027918641 0.0734217716 -0.0931762272 0.0407361035 0.0023894656 0.0057942278 -0.0810526756 0.0008110111 0.0003627217 0.0001229244 -0.0090016352 -0.0023111422 0.0026027252 -0.0009011410 0.0033874243 -0.0017922778 0.0002427058 -0.0003305431 -0.0002006858 0.0016429065 0.0046912237 0.0013189455 -0.0030087336 0.0006972725 0.0018603634 -0.0001828262 -0.0002712657 -0.0001020670 0.0012092562 0.0027521146 0.0002530510 0.0000100573 -0.0000221910 0.0006352750 0.0007108405 0.0001819212 -0.0002549570 0.0000600848 0.0000984706 -0.0007068899 0.0015152796 -0.0011626690 0.0001896125 0.0017683008 0.0018810145 -0.0067353871 0.0003214142 -0.0003327087 -0.0000770432 -0.0000733529 0.0000761586 -0.0000017151 0.0001464601 0.0001245311 -0.0000516525 0.0009268033 -0.0007888646 0.0002518303 -0.0000948709 -0.0002546686 -0.0001595528 -0.0001446099 0.0003501863 -0.0001131685 0.0012993449 -0.0019625397 0.0007698862 0.0000363792 -0.0007582580 -0.0004612125 -0.0016387080 0.0005390998 -0.0008813542 -0.0000868203 0.0101485074 0.0081073728 0.0203030113 -0.0156387836 0.0026031179 -0.0013159700 -0.0003453981 -0.0002681184 0.0004231876 -0.0001251976 0.0002472831 0.0060808378 0.0042078503 0.0014430945 -0.0000564687 0.0000454630 0.0000438138 0.0002554824 -0.0006298723 0.0005613685 0.0007440015 0.0004926725 -0.0002392041 -0.0003694446 -0.0004053558 -0.0008069860 -0.0000076928 -0.0000176673 0.0000070496 -0.0000592894 0.0001818352 -0.0001726301 0.0001089206 0.0000438104 0.0001214355 0.0000969214 0.0001673228 0.0000441703 0.0004153455 -0.0014365055 0.0011289532 -0.0013132927 -0.0007231682 -0.0020748724 0.0000996831 -0.0002138207 -0.0005727420 0.0019242821 0.0076787702 0.0001252160 -0.0032572111 -0.0050613892 0.0383792056 -0.0188116153 -0.0844160069 -0.0381418927 -0.0272228120 0.0281749519 0.0199894161 0.3051108782 -0.3611952623 0.1557234152 0.0219657466 0.0259754225 -0.3886952205 0.0465086715 0.0215512295 -0.0251694220 -0.6855465923 -0.1032363343 0.2144363537 0.1270092805 -0.1522798912 0.0814294463 -0.0047018998 -0.0070982538 -0.0009111336 0.0340442620 0.0862738470 0.0221629640 0.0281334210 -0.0023382985 -0.0101173487 0.0009232348 -0.0018596087 0.0004434940 0.0098781900 0.0221975598 0.0035077955 -0.0003107281 -0.0040260731 -0.0173272773 -0.0237753501 0.0028330048 0.0056676935 0.0000381796 -0.0000076822 0.0002604830 -0.0002595710 -0.0000547182 -0.0001494167 -0.0005644015 0.0001589356 0.0029526343 -0.0000538764 0.0000734090 0.0000342263 0.0000136719 -0.0000571182 0.0000924357 0.0008890935 0.0004199984 -0.0001214515 -0.0010520565 0.0009652268 -0.0003394527 -0.0000590062 -0.0007466230 -0.0005991249 -0.0000389103 -0.0001311411 -0.0000992720 0.0003577329 -0.0002519130 0.0000380508 0.0001812602 0.0016501144 0.0012927202 0.0003934058 -0.0000666520 0.0002800375 -0.0002551590 -0.0032040139 -0.0026713816 -0.0045250756 0.0037338665 -0.0007049446 0.0001153261 0.0002180644 0.0001950512 -0.0001032643 0.0000239272 -0.0000502429 0.0008968166 -0.0019367189 -0.0016238175 0.0010145527 -0.0012678319 -0.0006004163 -0.0059611328 0.0151772221 -0.0134426627 -0.0131765778 -0.0085315766 0.0042750814 0.0073993819 0.0083286161 0.0161104171 0.0000165944 0.0000837288 0.0000370274 0.0001082344 -0.0005518892 0.0004614031 -0.0003643660 -0.0002868850 -0.0007247763 -0.0003371882 -0.0011713405 -0.0000467413 -0.0031233928 0.0109924955 -0.0080847312 0.0059691216 0.0035430864 0.0097679939 -0.0003187831 0.0003519805 0.0005019181 -0.0026363976 -0.0076436587 -0.0007510047 0.0023227384 0.0030365557 -0.0249748600 0.0214569972 0.0854637500 0.0373795978 0.0332214113 -0.0366149670 -0.0140981677 -0.3762549181 0.4474211150 -0.1863375177 -0.0164260586 -0.0195785204 0.3424499076 0.0321526756 0.0220304486 -0.0204690921 -0.5142197540 -0.0820059265 0.1552650100 0.1348732975 -0.1687701008 0.0902239145 -0.0019367556 -0.0130131489 -0.0029873518 0.0594665196 0.1497146155 0.0369163579 -0.0309773790 -0.0019758730 0.0072747148 -0.0126611784 0.0116343523 -0.0046527266 -0.0736385606 -0.1573475516 -0.0257090320 -0.0048632311 0.0308988321 0.1505880162 0.2242696293 -0.0073624490 -0.0720439583 0.0000499544 -0.0000085708 -0.0002442690 0.0001874583 0.0000558616 0.0003027690 0.0002701388 0.0006392222 -0.0057186423 0.0001857549 -0.0002054981 -0.0000370708 0.0001652753 0.0004519391 -0.0010279056 -0.0117287768 -0.0056736810 0.0018994982 0.0091069676 -0.0083405627 0.0029447835 0.0008574462 0.0088870000 0.0069837605 0.0003433097 0.0005185361 0.0006863239 -0.0030583535 0.0028094670 -0.0008516451 -0.0011159985 -0.0089965755 -0.0071257677 -0.0004366197 -0.0002494410 -0.0005611394 0.0007351291 0.0071631711 0.0060670553 0.0044714092 -0.0038281746 0.0007056872 -0.0003954953 -0.0001336211 -0.0001356020 0.0002182574 -0.0000781759 0.0000911721 0.0003579175 0.0010924783 0.0002627017 -0.0288518982 0.0386361405 0.0183370044 0.1754127407 -0.4501194879 0.3992503808 0.3818727888 0.2479785812 -0.1236966070 -0.2254670085 -0.2529947154 -0.4876018011 0.0010784433 -0.0011837284 -0.0010007539 -0.0025950548 0.0045500875 -0.0014662435 0.0013785910 0.0039409959 0.0067368277 -0.0013326553 -0.0086362947 -0.0015228914 -0.0258093621 0.0781458993 -0.0563615519 0.0432158031 0.0260975838 0.0763320727 -0.0000006036 0.0000521269 -0.0001923613 -0.0000265576 -0.0001777538 -0.0000587801 0.0000372299 -0.0000277632 -0.0000375176 0.0003596193 0.0020150891 0.0008869382 0.0001672206 -0.0001865198 0.0000184226 -0.0020423377 0.0022839495 -0.0008878497 -0.0000125785 -0.0001044656 0.0006218660 0.0002064879 0.0002641964 -0.0001736998 -0.0041996187 -0.0006251672 0.0010901952 0.0018225998 -0.0021921479 0.0009977356 0.0004297056 -0.0000384902 -0.0000255299 -0.0003104205 -0.0004517567 -0.0003166296 -0.0043246655 0.0001161378 0.0013024879 -0.0029414735 0.0019455892 -0.0012671146 -0.0129523115 -0.0273832034 -0.0046884578 -0.0009836066 0.0066313675 0.0343507543 0.0485045498 -0.0018082167 -0.0152947390 -0.0000968312 0.0000594324 0.0000858876 -0.0000207718 0.0000164102 0.0000618874 -0.0000509106 0.0001378892 -0.0004330427 0.0000260773 -0.0002007334 -0.0001018671 0.0006324953 0.0016857851 -0.0035635505 -0.0430254803 -0.0207518324 0.0069715362 0.0326514300 -0.0295652945 0.0105040045 0.0031629666 0.0306606085 0.0239924379 -0.0003172970 -0.0003534638 -0.0003340814 0.0024960127 -0.0025627311 0.0005475441 0.0008138405 0.0063073656 0.0045207938 -0.0001522946 0.0001689224 0.0000015471 0.0000584929 -0.0010169957 -0.0005706020 0.0016956393 -0.0010737308 0.0003382721 0.0002207001 -0.0001856386 -0.0000630146 -0.0000628725 0.0001018790 0.0000049113 -0.0015660023 0.0013323913 0.0014337853 -0.0015957458 0.0021492770 0.0009196868 0.0097997749 -0.0251138321 0.0222574548 0.0205915089 0.0133881703 -0.0066371222 -0.0121228954 -0.0136274585 -0.0262217093 0.0001009438 -0.0002140811 0.0000121372 -0.0005859917 0.0017019771 -0.0011696350 0.0001903230 0.0006285134 0.0007292635 -0.0002669951 -0.0010300194 -0.0002712219 -0.0028259906 0.0088575301 -0.0064466664 0.0059083453 0.0035234415 0.0101357408 -0.0000868965 0.0001415166 0.0002871635 0.0002430252 0.0006563156 -0.0001239628 -0.0002989466 -0.0005470458 0.0048851290 -0.0018443063 -0.0072039514 -0.0033004527 -0.0026018457 0.0028125266 0.0015961499 0.0289891654 -0.0348283542 0.0147676591 0.0016769268 0.0016458394 -0.0326895811 -0.0017578468 -0.0011435264 0.0012224020 0.0281622033 0.0045928596 -0.0091631975 -0.0071787539 0.0093022091 -0.0055830902 0.0016343601 0.0026903949 0.0009517003 -0.0149013989 -0.0355906552 -0.0103441713 -0.0036106179 0.0011407012 0.0011352105 -0.0112314599 0.0071340682 -0.0051229209 -0.0481863392 -0.1016053308 -0.0175327856 -0.0038636229 0.0257033534 0.1338275988 0.1847124707 -0.0070558100 -0.0581162751 -0.0000308092 -0.0000190209 -0.0001516198 -0.0000824450 -0.0002058220 -0.0001102631 0.0000456386 0.0001541581 0.0001561329 0.0000330742 -0.0000522122 -0.0000387058 -0.0073294469 -0.0204459348 0.0424231103 0.5157577708 0.2488186118 -0.0831106403 -0.3941361460 0.3566353211 -0.1268170959 -0.0381829702 -0.3654122014 -0.2846906995 0.0078150398 0.0115766456 0.0125982675 -0.0628960996 0.0590233940 -0.0152957899 -0.0254631191 -0.1925193501 -0.1466127779 -0.0020484330 -0.0009002317 -0.0023842722 0.0037998123 0.0300957832 0.0256942712 0.0208920198 -0.0189238865 0.0040345367 0.0003652516 -0.0000398408 0.0000613980 -0.0002210779 0.0000188631 -0.0000467815 -0.0004153502 0.0001681062 0.0000096971 -0.0022347267 0.0031079541 0.0014270766 0.0139084219 -0.0357767296 0.0317331099 0.0296303786 0.0192654300 -0.0095827631 -0.0179139768 -0.0200796772 -0.0386422265 0.0001347083 -0.0001005435 -0.0000500847 -0.0003313056 0.0004812969 -0.0001470338 -0.0000478489 0.0003042262 0.0002571473 -0.0003965800 -0.0019243450 -0.0001768899 -0.0054744658 0.0178323812 -0.0129342129 0.0093095692 0.0056288392 0.0159782069 -0.0001765598 0.0001410354 -0.0000689104 -0.0009284581 -0.0025564387 0.0005036081 0.0011125968 0.0020656058 -0.0179838464 0.0072036371 0.0278648188 0.0124151586 0.0111210253 -0.0119743839 -0.0070344251 -0.1239835116 0.1483779800 -0.0627738687 -0.0073561807 -0.0073590661 0.1419112691 0.0074744301 0.0055126186 -0.0054754852 -0.1248907414 -0.0202672348 0.0397342092 0.0355880849 -0.0455665245 0.0263541379 -0.0055732590 -0.0119099723 -0.0042615925 0.0639792330 0.1539859540 0.0440608450 -0.0001156123 -0.0045358102 -0.0001589666 0.0384612444 -0.0240567425 0.0174814592 0.1629487958 0.3433337429 0.0595684245 0.0131576113 -0.0876911311 -0.4565591650 -0.6310213882 0.0242787140 0.1984251896 0.0001033855 0.0000304399 0.0000421158 0.0000629753 0.0000622875 0.0001645055 0.0000776691 0.0001499855 -0.0019520170 0.0001214301 -0.0001437269 -0.0000171918 -0.0020592394 -0.0056573175 0.0115399097 0.1418262912 0.0683973566 -0.0228074155 -0.1078448484 0.0974828039 -0.0346593369 -0.0104354183 -0.0992611786 -0.0772469749 0.0028282912 0.0041548167 0.0047150958 -0.0231643364 0.0216448877 -0.0058169739 -0.0091822836 -0.0698748908 -0.0535515115 -0.0010829699 -0.0005104740 -0.0012939726 0.0019879807 0.0160017860 0.0137279466 0.0109522661 -0.0096121320 0.0020382632 -0.0001260992 -0.0001060077 -0.0000426350 0.0000623688 -0.0000327919 0.0000340315 -0.0001097509 0.0007882173 0.0001685826 0.0000683236 -0.0001967606 -0.0001242918 -0.0005766547 0.0018396139 -0.0016822159 -0.0010850444 -0.0009307720 0.0003389704 0.0013551303 0.0013860688 0.0026017418 -0.0000832261 -0.0002665000 0.0000366233 -0.0003398293 0.0018132172 -0.0019205417 0.0007252529 0.0006753786 0.0016665276 0.0010306774 0.0045817364 0.0006012641 0.0124009541 -0.0408953654 0.0296546676 -0.0229655701 -0.0138782278 -0.0388123927 0.0001327956 -0.0003682060 0.0002864742 0.0000537562 0.0002962335 -0.0002169690 -0.0004271746 -0.0005513973 0.0035707383 -0.0005612277 -0.0029498624 -0.0011292330 -0.0006481607 0.0006413465 0.0005369436 0.0072128849 -0.0083715036 0.0035364246 0.0005631991 0.0006282280 -0.0097154768 0.0001010425 -0.0004448567 0.0002457482 0.0027849626 0.0003921166 -0.0007414887 -0.0037996806 0.0048055342 -0.0024796091 -0.0002402377 0.0028720237 0.0012307130 -0.0141066044 -0.0345782550 -0.0096809255 0.0164002814 0.0007257441 -0.0047483841 -0.0004126687 0.0000472701 -0.0004380061 -0.0009891658 -0.0019413490 -0.0004458487 -0.0003212904 0.0015614369 0.0077171484 0.0066550795 -0.0003423485 -0.0021369193 0.0000345361 0.0000406203 -0.0001093947 0.0000529525 0.0001553653 -0.0001948016 0.0003116388 -0.0002960970 0.0011985268 -0.0002055267 0.0002256773 0.0000522060 -0.0028458954 0.0001238131 -0.0172752971 -0.1024016739 -0.0515816507 0.0202890599 0.1197538606 -0.1123219217 0.0394009994 0.0160339037 0.1690824490 0.1335941609 0.0284010344 0.0380976943 0.0516257668 -0.2451541303 0.2281763127 -0.0693409447 -0.0904346005 -0.6859720297 -0.5344031810 -0.0033022153 -0.0067585805 -0.0072568126 0.0144940621 0.0970870034 0.0829911002 0.0195708448 -0.0158998712 0.0017845517 0.0000786765 -0.0000292064 0.0016659553 -0.0004439433 0.0001904247 -0.0002848250 0.0081035947 -0.0063169227 -0.0114966426 0.0038923183 -0.0048623435 -0.0025896580 -0.0245523617 0.0579044038 -0.0496684874 -0.0546216823 -0.0318565531 0.0181845382 0.0271028328 0.0329640137 0.0638605683 0.0011717076 0.0041927861 0.0000530409 0.0099735117 -0.0302007176 0.0273076783 -0.0125553135 -0.0135227422 -0.0292420609 -0.0147608364 -0.0601061196 -0.0107122874 -0.1588825418 0.5235410307 -0.3797012635 0.3145186674 0.1897847755 0.5312695334 -0.0018216447 0.0022559732 -0.0018790858 -0.0000619280 0.0002729876 -0.0000114933 -0.0001910116 -0.0003844070 0.0004603418 -0.0000053663 -0.0032609256 -0.0013120724 0.0010356988 -0.0015164468 0.0001725749 -0.0121650260 0.0151638655 -0.0063640929 0.0000893118 0.0003993763 0.0037066766 0.0046673246 0.0003575946 -0.0013841092 -0.0499860769 -0.0084872135 0.0158581229 -0.0039232182 0.0056329071 -0.0016702122 -0.0024792463 0.0221399603 0.0097013954 -0.1084298541 -0.2655559413 -0.0749351816 0.1341401929 0.0054508853 -0.0381738393 0.0012775511 -0.0026492869 -0.0013372570 0.0125403712 0.0270065930 0.0040674953 -0.0011573170 0.0020676825 0.0060781680 -0.0232263272 0.0003336869 0.0066180565 0.0000074155 0.0002143096 0.0009300306 0.0001517727 -0.0005151924 0.0002797173 -0.0002890291 0.0011731604 -0.0028897671 0.0021250205 -0.0018936587 -0.0010054569 -0.0001875537 0.0001332270 -0.0013986220 -0.0099135054 -0.0049238229 0.0018398513 0.0106883431 -0.0099118913 0.0034719844 0.0013310797 0.0135227715 0.0105740715 0.0013986589 0.0017793858 0.0024970277 -0.0119807127 0.0113348130 -0.0034666801 -0.0043273719 -0.0328294135 -0.0255263016 0.0001656516 -0.0008170169 -0.0003934373 0.0008096418 0.0069141284 0.0055698602 -0.0035878816 0.0027883556 -0.0008619991 -0.0000414037 0.0002419958 0.0001770918 -0.0000339413 -0.0000481440 -0.0000235048 0.0018781538 -0.0021646044 -0.0022195607 0.0016549453 -0.0020857752 -0.0010587161 -0.0104007590 0.0248376768 -0.0213592389 -0.0228619699 -0.0134925132 0.0076213392 0.0115232170 0.0138716833 0.0268554316 0.0003671003 0.0017384607 -0.0000181953 0.0044987863 -0.0127526241 0.0113580156 -0.0048038741 -0.0054203867 -0.0114674408 -0.0051871435 -0.0213434742 -0.0039345153 -0.0562371299 0.1848077517 -0.1340366437 0.1115501150 0.0672639038 0.1887763386 -0.0003695095 0.0006678926 0.0002408755 0.0006527152 0.0018914532 0.0011541587 0.0007022468 0.0018609943 -0.0041235726 -0.0054476264 -0.0221451866 -0.0096792272 -0.0059100941 0.0073515656 0.0014875246 0.0687072886 -0.0819788491 0.0343525006 0.0018100360 0.0012423826 -0.0485918046 -0.0151578731 -0.0028343851 0.0054367493 0.1771189027 0.0298022924 -0.0552436996 -0.0014556636 -0.0012578651 -0.0034293260 0.0069414669 -0.0607590686 -0.0267194038 0.2981986775 0.7287751568 0.2061914459 -0.3708281333 -0.0152937026 0.1047573492 -0.0045054326 0.0083129837 0.0034573151 -0.0408991473 -0.0871135615 -0.0136929769 0.0030049603 -0.0038718593 -0.0063261619 0.0824841002 -0.0016929477 -0.0238125248 -0.0000356514 0.0001078774 -0.0000866251 -0.0000470903 -0.0003479042 -0.0002443742 0.0000400014 -0.0000890659 0.0012817114 0.0006139091 -0.0004475884 -0.0004734490 -0.0003152252 0.0000981822 -0.0015386839 -0.0097833378 -0.0048754248 0.0018387371 0.0118675784 -0.0109359526 0.0038344793 0.0015250390 0.0149960677 0.0117062269 0.0016369014 0.0021894966 0.0030273403 -0.0140945518 0.0132145507 -0.0040476548 -0.0053491212 -0.0398662122 -0.0309654405 0.0009899893 -0.0001897154 0.0007468386 -0.0008039632 -0.0076363646 -0.0065542931 -0.0114914022 0.0097864503 -0.0022845241 0.0003695739 0.0001014450 0.0001912130 -0.0002225382 0.0000761829 -0.0000907650 0.0005772715 -0.0014234901 -0.0010231063 -0.0001562230 0.0001449104 0.0001324575 0.0007733386 -0.0019906543 0.0017254839 0.0025280374 0.0015808511 -0.0007885880 -0.0012310288 -0.0014850023 -0.0027177080 -0.0001518124 0.0012900927 -0.0003409491 0.0028401500 -0.0110166108 0.0096217011 -0.0024940966 -0.0030404400 -0.0052692184 0.0004569342 0.0004324501 0.0007546288 0.0004745163 -0.0010083073 0.0008639057 -0.0060035313 -0.0035368989 -0.0100692127 0.0003575581 0.0001924287 -0.0009965263 -0.0000844283 -0.0021784667 -0.0026271028 -0.0016074362 -0.0025819780 0.0175014570 0.0057217090 0.0297705505 0.0131185090 0.0002190899 -0.0001149386 -0.0014475268 -0.0027302563 0.0027045227 -0.0011832283 -0.0007484006 -0.0007021506 0.0171016094 0.0003804709 0.0003470835 -0.0003195549 -0.0061880813 -0.0008698606 0.0020051940 0.0022717395 -0.0026341968 0.0015891036 0.0002507015 0.0013592991 0.0004754571 -0.0066154890 -0.0161076420 -0.0045948003 0.0037553750 0.0001326513 -0.0007038026 0.0003525930 -0.0002980463 0.0000169210 0.0015955486 0.0034638309 0.0006488834 -0.0000235932 -0.0004192042 -0.0024083853 -0.0058203139 0.0003231157 0.0017185382 -0.0000911625 -0.0000382104 0.0002776744 -0.0000724883 -0.0000059951 0.0001363457 -0.0002722830 -0.0003094752 0.0023999361 -0.0000562604 -0.0000531019 0.0000827058 -0.0014575303 -0.0014032800 0.0003210787 0.0233704902 0.0115948450 -0.0056818042 -0.0053857459 0.0063459403 -0.0038963665 0.0008098409 0.0015642167 -0.0009567051 0.0009918355 0.0059280181 0.0068552056 -0.0097295087 0.0105140463 -0.0020587766 -0.0134007982 -0.0920400280 -0.0718640420 0.0520135654 0.0040500795 0.0460297636 -0.0702264229 -0.5139517611 -0.4276812157 -0.5471925532 0.4632720774 -0.1043128773 0.0020310664 -0.0011071771 -0.0026397747 -0.0004259057 0.0003083304 -0.0000088224 -0.0118113964 0.0141504991 0.0184263817 0.0000273161 -0.0000329211 0.0000236755 -0.0001871193 0.0004701653 -0.0004129137 -0.0001905767 -0.0001135567 0.0000614311 0.0000285612 0.0000392754 0.0000671609 -0.0000033035 -0.0000111352 0.0000020929 -0.0000177749 0.0001056122 -0.0000985318 0.0000777663 0.0000585560 0.0000956610 0.0000245844 -0.0000636317 0.0000540116 -0.0001778067 0.0006496743 -0.0005163085 -0.0001562788 -0.0000784846 -0.0002179321 0.0000820436 -0.0001340443 -0.0000843479 -0.0008183006 0.0014022071 0.0205207840 0.0133270655 0.0277849256 -0.2376661927 -0.0069929188 -0.0422795405 -0.0155745384 -0.0211947556 0.0335936377 -0.0789991690 0.3155134862 -0.3735770597 0.1456862871 -0.0574252055 -0.0311729676 0.7994704846 0.0141427801 -0.0051432896 0.0005619474 -0.1068227988 -0.0192292020 0.0348268022 -0.0649715348 0.0834570201 -0.0484357454 -0.0010891229 -0.0004256140 0.0006206813 0.0018853885 0.0051469670 0.0008755310 0.0124599853 0.0006926561 -0.0032879177 -0.0022870813 -0.0015285243 -0.0018704973 0.0063034753 0.0148274092 0.0028532403 -0.0009394333 0.0034361129 0.0254606338 0.0217038056 -0.0005044194 -0.0071664588 -0.0000372703 0.0000880499 0.0001116171 -0.0002010514 0.0001884229 0.0002471216 0.0022578189 -0.0021042282 0.0035498245 -0.0000022454 -0.0000177194 0.0000033551 0.0000644871 0.0000246745 -0.0000967485 -0.0014008074 -0.0007052884 0.0002858481 0.0005057852 -0.0004890845 0.0001937424 0.0000896187 0.0008782159 0.0006976300 0.0000860935 -0.0000367183 0.0000421355 -0.0009383872 0.0008078101 -0.0002838918 -0.0000555135 -0.0003018294 -0.0002132247 -0.0004452444 0.0001020577 -0.0002596141 0.0004303073 0.0022866580 0.0019411947 0.0043703696 -0.0037110466 0.0009806924 0.0000197469 0.0000329577 0.0000960303 -0.0000070835 0.0000011151 -0.0000091825 0.0000839560 -0.0005193722 -0.0006590375 -0.0000164636 0.0016997149 -0.0020496222 0.0089982626 -0.0177019384 0.0141755018 -0.0114949023 -0.0084219463 0.0047331568 0.0025663363 0.0057072414 0.0093223586 0.0045376098 -0.0116716852 0.0115455233 -0.0549378402 0.1530811242 -0.1314239830 -0.0035792560 -0.0096383153 -0.0152193172 -0.0412662751 0.0255667394 -0.0781953117 0.1495273814 -0.5219456981 0.3748245856 0.3413633226 0.2173415844 0.5643323925 0.0003484828 0.0001313468 -0.0015567076 -0.0003348937 0.0004011123 0.0131785398 0.0096353703 0.0171870895 -0.1480222061 -0.0048555536 -0.0243752968 -0.0098414364 0.0005466023 -0.0008093109 0.0025925986 -0.0084587105 0.0091062714 -0.0036998988 0.0024480792 0.0014956545 -0.0272192788 -0.0030223623 0.0027140492 -0.0013099444 0.0102709449 0.0019297591 -0.0033299709 0.0258147887 -0.0341766405 0.0187963160 0.0024558483 0.0012165005 -0.0002451270 -0.0054789654 -0.0141763127 -0.0042072527 -0.0234185165 -0.0002222811 0.0069675658 -0.0007393864 -0.0003382188 0.0009295834 0.0024416016 0.0060782963 0.0010816141 0.0000959166 -0.0018775043 -0.0099039464 0.0062781455 -0.0000836669 -0.0019016660 -0.0001929453 0.0004588576 0.0007501087 -0.0001228458 0.0002087613 -0.0000690569 -0.0005048086 -0.0008472147 0.0040858170 0.0003094718 -0.0007625766 0.0001111751 0.0005654868 0.0000212268 0.0000745800 -0.0040238601 -0.0019259616 0.0006438531 -0.0025890790 0.0025150424 -0.0009274659 -0.0000349738 -0.0007090853 -0.0006018700 -0.0007410322 0.0007922970 -0.0001215954 0.0088909431 -0.0079093755 0.0028964328 -0.0001960067 -0.0015792085 -0.0014324898 0.0017531449 -0.0022929942 -0.0001706608 0.0016352005 0.0074913636 0.0069453610 -0.0226453299 0.0190787067 -0.0043814808 -0.0001782008 0.0000449682 -0.0001665591 0.0001192382 -0.0000825337 0.0000565918 -0.0002929573 0.0001420238 0.0003281262 -0.0002682150 -0.0006399438 0.0004708098 -0.0020592422 0.0042414130 -0.0035574389 0.0056926859 0.0038315476 -0.0019643312 -0.0001897562 -0.0007519928 -0.0009713124 -0.0006636076 0.0037424771 -0.0018690059 0.0141368777 -0.0395361030 0.0343297996 -0.0054609324 -0.0052973905 -0.0105344975 0.0065544975 -0.0037459443 0.0125285346 -0.0227827038 0.0798899078 -0.0576860973 -0.0555893360 -0.0354780792 -0.0922153916 0.0001573229 0.0006207802 0.0016261110 -0.0019261896 0.0027255347 0.0790989671 0.0572662674 0.1036394890 -0.8863829383 -0.0301356265 -0.1499367289 -0.0617155047 0.0032332100 -0.0048515668 0.0164180260 -0.0503920106 0.0542080206 -0.0218113784 0.0152521632 0.0090783512 -0.1736023797 -0.0175880922 0.0148182731 -0.0068891698 0.0675237692 0.0120367647 -0.0221126259 0.1423151601 -0.1886139601 0.1042928479 0.0115030953 0.0060915354 -0.0009541379 -0.0277797405 -0.0712686733 -0.0212427781 -0.1084232264 -0.0002348848 0.0315804362 -0.0029051461 -0.0013254382 0.0032236622 0.0086465249 0.0226928156 0.0038209312 0.0002390233 -0.0060306007 -0.0331609551 0.0264491617 -0.0004424483 -0.0077845558 -0.0002293618 0.0001538538 -0.0007982141 -0.0005467626 0.0009334372 -0.0035356711 -0.0004345051 -0.0106486151 0.0435007202 0.0000209152 -0.0000331169 -0.0001236920 -0.0019515609 0.0004877528 -0.0000989353 0.0121620236 0.0060751191 -0.0020737656 0.0115279452 -0.0107041497 0.0039296249 -0.0003318146 -0.0012541395 -0.0012079624 0.0021517746 -0.0021468674 0.0005009641 -0.0271988260 0.0238244272 -0.0084745354 0.0002241432 0.0021363271 0.0023046479 -0.0014024117 0.0057954590 0.0030426633 -0.0072817430 -0.0503521665 -0.0427011795 0.0246623528 -0.0195732913 0.0056294908 -0.0003736539 0.0001239238 0.0005532130 0.0000447382 0.0000173166 -0.0000703362 0.0024933230 -0.0031665080 -0.0041330134 -0.0088240365 -0.0203896062 0.0177199143 -0.0557728925 0.1366411860 -0.1213687685 0.1863307083 0.1196333050 -0.0570630127 -0.0201171218 -0.0271184763 -0.0404433870 0.0046956672 0.0644390656 0.0046653269 0.1763113251 -0.4958463168 0.4404301668 -0.2263300833 -0.2580670122 -0.4922740441 -0.0069053846 0.0075035479 -0.0116540474 0.0335081736 -0.1143365705 0.0808310613 0.0375177022 0.0245405273 0.0618232304 0.0002101713 0.0000840733 -0.0007986547 0.0000354555 -0.0000499630 -0.0024527791 -0.0018652051 -0.0033212753 0.0281562397 0.0008224762 0.0037992227 0.0015541859 0.0002045366 -0.0002265991 -0.0000942603 -0.0019326113 0.0026013701 -0.0010300264 -0.0003596906 -0.0002415667 0.0021941696 0.0030728083 -0.0024530529 0.0011203096 -0.0133516242 -0.0023717366 0.0042773988 -0.0236347016 0.0315459009 -0.0173858490 -0.0005126184 -0.0002893117 0.0000277783 0.0011426871 0.0031677137 0.0009733811 0.0052396080 0.0000743554 -0.0013085343 0.0000210916 0.0000048240 -0.0000410268 0.0000954828 0.0000325030 0.0000065254 -0.0000072934 0.0000175822 0.0002172715 -0.0005414119 0.0000120264 0.0000883881 -0.0003459124 0.0000345960 0.0002997541 0.0000235663 0.0000268019 0.0003424814 -0.0002091098 0.0008021036 -0.0027843570 0.0002669611 -0.0002520768 -0.0000778520 -0.0057439678 0.0025999675 0.0002770233 0.0334908532 0.0169201780 -0.0055313357 0.0370161579 -0.0344698626 0.0126120821 -0.0022376876 -0.0138233317 -0.0111371042 0.0064104216 -0.0078802705 0.0005423179 -0.0805397398 0.0710550741 -0.0259415408 0.0034381731 0.0234357934 0.0193912956 -0.0060893555 0.0128439496 0.0041810751 -0.0139542681 -0.0795873790 -0.0685358231 0.0877062849 -0.0729076736 0.0179353471 -0.0002233663 0.0000553581 0.0004333345 -0.0000661646 0.0002000854 0.0002419556 0.0027675704 -0.0018943395 -0.0029447939 -0.0006454947 -0.0020744713 0.0020635672 -0.0065141857 0.0161120758 -0.0141704541 0.0173103077 0.0110846873 -0.0052608968 -0.0027682819 -0.0036095899 -0.0057792963 0.0003089129 0.0052865653 0.0001972437 0.0150189485 -0.0417582633 0.0370698415 -0.0179477428 -0.0203317839 -0.0389974304 0.0000260543 0.0001279888 0.0000722281 0.0003052965 -0.0010916107 0.0007352980 -0.0010286720 -0.0006509416 -0.0016454126 -0.0000350571 -0.0001410581 0.0000810904 0.0004655837 -0.0003568686 -0.0213985309 -0.0159326676 -0.0277444094 0.2399631262 0.0084502922 0.0399418196 0.0163765111 -0.0068797951 0.0087774937 -0.0154926482 0.0840005154 -0.1019834746 0.0397816943 -0.0088472334 -0.0043792439 0.1439421375 -0.0573821542 0.0494156803 -0.0235103322 0.2234560911 0.0401329606 -0.0714149965 0.4689322656 -0.6258827511 0.3444461870 0.0156497023 0.0103777369 -0.0004314906 -0.0466010957 -0.1186548313 -0.0350760251 -0.1457959510 -0.0015794314 0.0416144343 -0.0080592248 -0.0062156859 0.0048583669 0.0368180914 0.0822511972 0.0156678675 -0.0005948318 -0.0103953436 -0.0494905736 0.0626859943 -0.0028837935 -0.0188139442 0.0000896543 -0.0000865873 -0.0000170013 -0.0000871475 -0.0008102498 0.0012186034 0.0006701876 0.0039412244 -0.0154726478 -0.0000140480 0.0000413506 -0.0000098338 0.0076604271 -0.0039303734 -0.0005023282 -0.0431641645 -0.0221044425 0.0072520194 -0.0515989500 0.0477602680 -0.0174208343 0.0034358204 0.0211649901 0.0172940645 -0.0073828572 0.0093010501 -0.0005021835 0.0938390265 -0.0830032425 0.0297600806 -0.0045460371 -0.0288215874 -0.0237171254 0.0034555518 -0.0102086667 -0.0044435829 0.0121600511 0.0767888399 0.0657638060 -0.0557977080 0.0459313128 -0.0117528447 0.0006139055 -0.0000785421 -0.0004294597 -0.0001051755 0.0000775615 0.0000132211 -0.0028490438 0.0011461069 0.0027705743 -0.0017986307 -0.0046420675 0.0044862565 -0.0136767503 0.0335672235 -0.0296506650 0.0420870640 0.0268863883 -0.0129226264 -0.0059934389 -0.0079440951 -0.0125472793 0.0008428948 0.0126885990 0.0006296239 0.0359372163 -0.0998199631 0.0887157486 -0.0439736413 -0.0494196790 -0.0951267652 0.0002197301 0.0006891413 0.0006715025 0.0014027841 -0.0043427441 0.0027508107 -0.0061445251 -0.0038999812 -0.0102105789 -0.0002111162 0.0000576380 0.0007887492 -0.0001302274 0.0001617125 0.0098460179 0.0076849623 0.0130066732 -0.1121047288 -0.0036189284 -0.0163563741 -0.0066632286 0.0016182060 -0.0021120158 0.0044217889 -0.0206444056 0.0246058565 -0.0095882924 0.0029974021 0.0015796112 -0.0430005011 0.0115126085 -0.0100758460 0.0048276914 -0.0437624092 -0.0078258795 0.0139957791 -0.0952266238 0.1271861531 -0.0699839896 -0.0028953319 -0.0020705385 0.0000191228 0.0093809214 0.0237075015 0.0069903312 0.0265111651 0.0002742666 -0.0075726947 0.0019503189 0.0015251975 -0.0010924276 -0.0091341244 -0.0201282866 -0.0038565082 0.0001698153 0.0023952169 0.0111958720 -0.0148911545 0.0007478632 0.0045070714 -0.0001054755 0.0000426742 -0.0002634347 -0.0001079769 -0.0000390532 -0.0006685789 -0.0001499442 -0.0015857192 0.0064317763 0.0000669545 -0.0000050046 -0.0000841689 0.0391198469 -0.0199750540 -0.0021349586 -0.2168502937 -0.1111504718 0.0360289767 -0.2657949987 0.2461683422 -0.0896470168 0.0171892430 0.1030268378 0.0838488842 -0.0361807618 0.0462707494 -0.0020517000 0.4584118062 -0.4059981283 0.1457759150 -0.0238360402 -0.1495717157 -0.1220477086 0.0165401609 -0.0408128148 -0.0156023050 0.0461330115 0.2821533142 0.2433694193 -0.2517158422 0.2092415653 -0.0522344986 0.0010822581 -0.0006654466 -0.0020918099 0.0002828481 0.0000645473 0.0001478177 -0.0121730004 0.0081013184 0.0123204712 -0.0362455653 0.0145019048 -0.0812829680 0.1842044855 -0.4840394690 0.4138128747 -0.0093394428 0.0010824228 -0.0113999769 0.2588372453 0.3058649057 0.5646262454 0.0075496403 0.0116597646 0.0160576744 0.0097274597 -0.0160757430 0.0175519650 -0.1011663300 -0.1169092922 -0.2134291696 0.0011543044 -0.0000443236 0.0025252071 -0.0038163543 0.0063958070 -0.0050520450 -0.0111810436 -0.0074286991 -0.0215516646 0.0000303051 -0.0000178475 -0.0000697277 0.0000069670 -0.0000190397 -0.0005120457 -0.0003565017 -0.0006582128 0.0057769865 0.0002193288 0.0009640145 0.0004094487 0.0000125475 -0.0000143815 -0.0001314556 -0.0000744364 0.0001160940 -0.0001083305 -0.0001269460 -0.0000602439 0.0015584933 0.0003968118 -0.0001576852 0.0000256805 -0.0028622018 -0.0004262321 0.0009113742 -0.0017897414 0.0023933733 -0.0013284606 0.0012961356 0.0004814785 -0.0001964475 -0.0022271125 -0.0056113285 -0.0016448232 -0.0133498545 -0.0001584618 0.0040142381 -0.0019667622 -0.0005388115 0.0019891190 0.0047454045 0.0110412945 0.0022252746 0.0000407902 -0.0039427836 -0.0200501080 0.0186273342 -0.0007285449 -0.0056791579 -0.0000104204 -0.0000091959 0.0000390898 0.0000152333 0.0000011259 0.0000782156 -0.0000639708 0.0001780664 -0.0007231567 0.0000281907 -0.0000340327 0.0000373193 0.0010508595 -0.0000610935 0.0000723533 -0.0074734777 -0.0037518879 0.0012939621 -0.0052024379 0.0049099085 -0.0016846709 0.0001604762 -0.0005298527 -0.0003766669 -0.0006266222 0.0008562466 -0.0000106555 0.0080899916 -0.0072114618 0.0024386889 -0.0005421556 -0.0029632033 -0.0023769068 -0.0002401820 0.0002666389 0.0000080018 -0.0001300229 -0.0006621701 -0.0005306300 0.0029772896 -0.0024727333 0.0006122794 -0.0000649998 0.0000216450 -0.0000586913 0.0000403117 0.0000526856 0.0001190870 0.0001518981 -0.0001834942 -0.0000604227 0.0013543956 -0.0003393726 0.0026816572 -0.0060277284 0.0158705254 -0.0135140557 -0.0013989715 -0.0011329758 0.0009382236 -0.0088144267 -0.0104300087 -0.0192873599 -0.0003750362 -0.0007897009 -0.0007794288 -0.0009719634 0.0026321372 -0.0024576765 0.0055331142 0.0064932074 0.0119247922 0.0002835031 -0.0002732353 0.0005237672 -0.0012515476 0.0044189865 -0.0032268511 -0.0018929919 -0.0013263705 -0.0030246571 -0.0000060145 0.0001428905 0.0009018068 0.0000739356 -0.0002270364 -0.0046678810 -0.0034499963 -0.0055812339 0.0533680364 0.0020730073 0.0090800164 0.0038347701 0.0016046031 -0.0021994519 0.0008686787 -0.0196059467 0.0239929991 -0.0105347667 -0.0001223182 0.0001200719 -0.0033399786 0.0176703286 -0.0104734784 0.0037609807 -0.1022122178 -0.0159325397 0.0325256579 -0.1070616494 0.1429458416 -0.0789756680 0.0387679272 0.0140012387 -0.0060519245 -0.0656986365 -0.1641627440 -0.0478859153 -0.3990890747 -0.0041186058 0.1207797455 -0.0548860275 -0.0156003711 0.0545737584 0.1348519201 0.3139639366 0.0628557406 0.0005976539 -0.1082480529 -0.5508498618 0.5172105517 -0.0200127690 -0.1581127855 0.0001265215 -0.0000543959 -0.0004388721 0.0001661961 -0.0001121588 0.0000039004 -0.0000029591 0.0004975238 -0.0030537305 -0.0000218002 0.0000478698 -0.0001073862 -0.0000353632 -0.0003415160 -0.0000900268 0.0014699337 0.0006779017 -0.0002962818 -0.0012655414 0.0011354614 -0.0004118223 0.0002692934 0.0022719536 0.0018476632 -0.0002664762 0.0003235705 -0.0000272580 0.0033676731 -0.0029363402 0.0010739535 -0.0001712623 -0.0010111476 -0.0008161583 0.0000133223 -0.0003221404 -0.0002499416 0.0006886978 0.0037030452 0.0030576155 -0.0006447128 0.0004726487 -0.0001349525 -0.0000466531 0.0000076628 0.0000068732 0.0000189655 -0.0000109449 -0.0000018062 0.0002357831 -0.0001786639 -0.0002509129 -0.0019147353 -0.0020272889 0.0005439236 -0.0025938880 0.0057226962 -0.0053909950 0.0229873564 0.0146702200 -0.0074668714 0.0026287366 0.0026123801 0.0058584715 0.0005822599 0.0037052428 0.0008550092 0.0102604538 -0.0264286983 0.0243616533 -0.0160705695 -0.0172843578 -0.0341400092 0.0005977678 0.0001668492 0.0011146908 -0.0007264836 0.0023748684 -0.0018954430 -0.0067792549 -0.0043912415 -0.0112217274 -0.0002844838 -0.0000139899 0.0009292985 0.0000490779 -0.0001871113 0.0026072238 0.0025327203 0.0037639606 -0.0322397006 -0.0004190316 -0.0006013250 -0.0001592849 0.0001230141 -0.0001638109 0.0006608711 -0.0020326940 0.0022090716 -0.0008567449 0.0006345692 0.0003345811 -0.0071450960 0.0005772709 -0.0006124524 0.0003069132 -0.0013986294 -0.0001727639 0.0004496253 -0.0054848391 0.0074157368 -0.0040737034 -0.0002743719 -0.0001843366 0.0000073036 0.0009463531 0.0022219556 0.0006541625 0.0024124116 -0.0000051712 -0.0007330495 0.0001123895 0.0002648941 0.0001292369 -0.0013857899 -0.0029133097 -0.0005763186 0.0000783112 -0.0001456512 -0.0011453611 -0.0000218079 0.0000220156 0.0000475528 -0.0000439366 -0.0000026189 -0.0002867557 -0.0001551960 -0.0002741128 -0.0003741113 0.0001362256 -0.0004602772 0.0021952651 0.0000291576 0.0000325836 -0.0000695640 -0.0650854497 0.0164972348 -0.0008245027 0.4148733376 0.2108957005 -0.0723956781 0.3778191678 -0.3520417686 0.1271107827 -0.0163936370 -0.0531031237 -0.0423191091 0.0001540168 -0.0077481024 -0.0044773576 -0.0216337062 0.0154015385 -0.0044676745 0.0141016832 0.0755512858 0.0559248251 0.0243722496 -0.0562461397 -0.0204768632 0.0620915623 0.3775096549 0.3213004941 -0.3520637536 0.2945421111 -0.0722519150 0.0021163793 -0.0011443107 -0.0026705497 -0.0000815377 0.0000569751 0.0003088620 -0.0182489165 0.0120601436 0.0193370815 0.0026478604 0.0031180000 -0.0009392826 0.0052149131 -0.0119267813 0.0107371754 -0.0323143476 -0.0203834925 0.0104823613 -0.0042269487 -0.0046348911 -0.0099603549 -0.0002309914 -0.0009435598 -0.0004218979 -0.0028864141 0.0062688689 -0.0062536956 0.0051411317 0.0052218748 0.0109497491 -0.0004538709 0.0001901715 -0.0007330321 0.0012866634 -0.0043304592 0.0032088863 0.0035783782 0.0023980562 0.0057841483 0.0000740901 0.0001005731 -0.0005676226 -0.0000178082 0.0002606138 -0.0012902893 -0.0011748258 -0.0018585363 0.0169179123 -0.0002143435 -0.0016632110 -0.0008831437 -0.0000112406 0.0000373700 -0.0003865109 0.0005892852 -0.0006041753 0.0002016036 -0.0004423225 -0.0002542268 0.0045765777 -0.0001989749 0.0002691066 -0.0001434934 -0.0000773498 -0.0000810977 -0.0000533051 0.0023696369 -0.0031205973 0.0017334291 -0.0005389912 -0.0000824317 0.0001289080 0.0002977677 0.0008967974 0.0002430825 0.0060251944 0.0001408390 -0.0017533482 -0.0001167351 -0.0003597306 -0.0003115173 0.0017803053 0.0036981308 0.0005902115 -0.0000601783 0.0005704842 0.0031425054 -0.0002268649 -0.0000956987 0.0000493081 0.0000192460 -0.0000427698 0.0001994364 0.0000804871 0.0000609423 0.0003890747 -0.0002115768 0.0007429179 -0.0031852890 0.0000449930 -0.0000862209 0.0000530989 -0.0503928538 -0.0514162192 -0.0236431396 0.5012952442 0.2408291230 -0.0898615020 0.0627773610 -0.0731329445 0.0228078190 0.0391944233 0.4425579249 0.3528284002 -0.0261300799 0.0302985780 -0.0032917242 0.3192780440 -0.2801613510 0.1003420677 -0.0155912982 -0.0854016688 -0.0651215907 -0.0141410240 0.0306307439 0.0106267752 -0.0306395974 -0.1925012175 -0.1652504715 0.2046580544 -0.1685244531 0.0391593195 -0.0014780263 0.0009515939 0.0007078650 0.0004974131 -0.0001932242 -0.0000553717 0.0080937126 -0.0057034395 -0.0079022050 0.0001146333 0.0001883022 -0.0002254584 0.0005101728 -0.0012606100 0.0011498471 -0.0023355090 -0.0014301210 0.0007491935 0.0004105905 0.0004954409 0.0008411681 -0.0000582940 -0.0001138885 -0.0001055405 -0.0000088070 0.0005060727 -0.0004643992 0.0007828238 0.0009386253 0.0017284012 0.0001112342 -0.0002114948 0.0001609179 -0.0007419603 0.0022546671 -0.0016744037 -0.0001900830 -0.0002464212 -0.0002505008 0.0000838882 0.0001419447 0.0011677466 0.0000983123 -0.0000561138 -0.0043985610 -0.0038770094 -0.0051854977 0.0502901011 0.0015917964 0.0074739170 0.0036569315 0.0010530419 -0.0014863475 0.0003327716 -0.0120905342 0.0163695971 -0.0059761981 -0.0004853858 0.0000976791 0.0007890711 0.0134781958 -0.0053600561 0.0016125792 -0.0999749383 -0.0155774508 0.0370884386 -0.0634948892 0.0828109758 -0.0477109538 0.0681568443 0.0187900758 -0.0129026226 -0.0929336223 -0.2275276906 -0.0649013245 -0.7077749072 -0.0062175614 0.2093335864 0.0191055185 -0.0187557309 -0.0485907155 0.0641136807 0.1290183078 0.0164203051 -0.0056999408 0.0874040328 0.4787865081 -0.2984177292 0.0135173717 0.0833496361 0.0002265194 -0.0000861365 -0.0005217143 0.0000660872 -0.0002548621 0.0001901639 0.0001838257 0.0010521684 -0.0053739248 -0.0000482236 0.0000816253 -0.0001348601 -0.0002978013 -0.0001806019 -0.0001341692 0.0022954715 0.0011039649 -0.0003659895 0.0010573093 -0.0010678668 0.0003513161 0.0001609722 0.0020999735 0.0016793762 -0.0000067308 -0.0000329408 -0.0000349575 0.0001843685 -0.0001050364 0.0000489802 0.0000503566 0.0004390538 0.0003646591 -0.0001561213 -0.0002547420 -0.0003168780 0.0007662965 0.0043934502 0.0034560446 0.0011517184 -0.0011154666 0.0001640528 0.0000843782 0.0000298766 0.0000135337 -0.0000393240 0.0000093027 -0.0000061028 0.0000500424 -0.0003427295 -0.0001298090 -0.0608654904 -0.0649285285 0.0101615459 -0.0926200498 0.2069574759 -0.1872918194 0.6860125717 0.4277667578 -0.2256399473 0.1262138625 0.1467763918 0.2968967642 -0.0014331658 -0.0193399809 -0.0011017878 -0.0508511634 0.1440872530 -0.1257216981 0.0628073003 0.0738332567 0.1374039544 0.0013017805 -0.0016857598 0.0013077128 -0.0050806737 0.0233642822 -0.0169554193 0.0002241773 -0.0006711099 -0.0021809382 0.0000692638 -0.0002032483 0.0001260333 -0.0000128779 -0.0000604691 0.0000604224 0.0000383511 0.0000786354 -0.0009296711 0.0000707445 0.0006013276 0.0002917562 0.0000277043 -0.0000331412 0.0000276246 -0.0003722678 0.0004428464 -0.0001647009 0.0000310020 0.0000039757 -0.0001836951 0.0001092565 -0.0000747180 0.0000325031 -0.0005590687 -0.0000843457 0.0002004246 -0.0007432998 0.0009819340 -0.0005620920 0.0001907475 0.0000192211 -0.0000480472 -0.0000554849 -0.0002069948 -0.0000558430 -0.0021556291 -0.0000607632 0.0006183115 0.0001469176 0.0001230652 0.0000246175 -0.0006481077 -0.0014275527 -0.0002353562 0.0000262067 -0.0000738190 -0.0004294744 -0.0011845361 0.0000849504 0.0003642735 0.0000803982 0.0000488046 -0.0000379643 0.0000130820 0.0001244677 -0.0000553024 0.0000045588 -0.0003506894 0.0008066634 -0.0001577643 0.0001843737 0.0000081385 -0.0002048784 -0.0067385140 -0.0023921221 0.0211620076 0.0096168754 -0.0038634670 -0.0236241084 0.0206991180 -0.0083081108 0.0050263904 0.0502647956 0.0404080812 0.0012237381 -0.0021773309 -0.0003128562 -0.0163876625 0.0148711651 -0.0051342980 0.0015893423 0.0107196455 0.0087359420 -0.0000838636 0.0007504716 0.0004563019 -0.0008487075 -0.0070751906 -0.0062153694 0.0024568087 -0.0021984391 0.0006217579 -0.0002095376 0.0000631423 0.0000836337 0.0000736779 -0.0000772314 -0.0000676783 0.0006889778 -0.0003140324 -0.0005920494 0.0039055385 0.0044116510 -0.0008074614 0.0069978099 -0.0160423496 0.0142821046 -0.0449753114 -0.0276832800 0.0147220409 -0.0082868723 -0.0097759234 -0.0197522014 0.0003581792 0.0021327588 0.0006128722 0.0057008306 -0.0136298549 0.0127655508 -0.0092382749 -0.0103259789 -0.0200846391 0.0001207949 0.0002213370 0.0001166985 0.0002714448 -0.0021601785 0.0015311349 -0.0019608973 -0.0011875529 -0.0028325144 -0.0000218425 -0.0001032140 0.0002524793 0.0000096407 -0.0003453265 0.0004928027 0.0006486946 0.0007875715 -0.0079935885 0.0005739835 0.0035240155 0.0016871180 0.0000306531 -0.0000340372 0.0001390862 -0.0006455534 0.0006234847 -0.0002207578 0.0001850465 0.0000670770 -0.0015139756 0.0001885452 -0.0001635857 0.0000695097 -0.0006986230 -0.0000550735 0.0002779251 -0.0015084121 0.0020723366 -0.0011393848 0.0002760461 0.0001488408 -0.0000179310 -0.0006351568 -0.0016668135 -0.0004498121 -0.0024862948 -0.0000632041 0.0007314129 0.0007420343 0.0011447322 0.0006870108 -0.0057467271 -0.0126696935 -0.0020831948 0.0002451005 -0.0012555663 -0.0073849111 -0.0034383911 0.0003163150 0.0011721762 -0.0000588718 0.0000090900 -0.0000493082 -0.0000753834 -0.0000300798 -0.0002043935 0.0001176090 -0.0003789369 0.0018260693 -0.0000377976 0.0000557165 -0.0000170486 0.0152546450 -0.0660705773 -0.0213271462 0.0878034479 0.0350141295 -0.0161232768 -0.3208873618 0.2890438864 -0.1136608805 0.0501768173 0.4682299336 0.3807971124 0.0286709199 -0.0453122160 -0.0038277484 -0.3705884705 0.3282424565 -0.1181262993 0.0307309260 0.2059451819 0.1626913470 0.0111102534 -0.0233526560 -0.0079290058 0.0267207665 0.1502012268 0.1248521416 -0.1584523786 0.1287368082 -0.0291510013 0.0012169437 -0.0006979579 -0.0007758964 -0.0003959620 0.0001248989 0.0001252919 -0.0084921786 0.0057525690 0.0094445898 -0.0000851358 -0.0001116080 0.0000098509 -0.0001990548 0.0004435657 -0.0004017972 0.0009325677 0.0005886072 -0.0003091588 0.0002444305 0.0003021610 0.0006002405 0.0000384788 -0.0000325072 0.0000968029 -0.0002693593 0.0006904070 -0.0006291619 -0.0001799218 -0.0003013198 -0.0005074944 -0.0000585048 -0.0000556056 -0.0001238813 -0.0000370511 0.0000809210 -0.0000060665 0.0007072462 0.0005200666 0.0012955439 0.0000155936 -0.0001403766 -0.0005090081 -0.0000203296 -0.0000183043 0.0023464456 0.0027790714 0.0032749174 -0.0266312872 -0.0008295064 -0.0036605314 -0.0021176091 0.0017740848 -0.0021667711 0.0025160500 -0.0230052113 0.0270642375 -0.0114944378 0.0012687117 0.0012289324 -0.0201652069 -0.0030436618 -0.0001060054 0.0007916600 0.0324674900 0.0049021441 -0.0128409932 0.0051779471 -0.0058666050 0.0038130253 -0.0283472689 -0.0152093974 0.0020456309 0.0707169283 0.1781429794 0.0493639156 0.2615943044 0.0019705895 -0.0761096075 -0.0429442977 -0.0654620432 -0.0388333792 0.3270725483 0.7256255046 0.1171734009 -0.0126598380 0.0718278240 0.4184011955 0.2025767590 -0.0179552909 -0.0684361571 -0.0000958668 0.0000735255 0.0002529029 -0.0000816704 0.0002197540 -0.0004125052 -0.0001511499 -0.0012304019 0.0059605213 -0.0000159414 0.0000218782 0.0000523840 0.0005576421 -0.0008057471 -0.0002281602 -0.0016568829 -0.0009063929 0.0002781861 -0.0056727698 0.0052628129 -0.0020333725 0.0006411141 0.0053362575 0.0043717191 0.0005648364 -0.0008063024 -0.0000218264 -0.0072725539 0.0063532296 -0.0022849884 0.0005100741 0.0032219820 0.0025386926 0.0004767642 -0.0007077050 -0.0001136985 0.0005709547 0.0029644000 0.0026309905 -0.0062401804 0.0053346875 -0.0011731889 0.0000860819 -0.0000679566 -0.0000392499 -0.0000346332 0.0000218188 -0.0000102826 -0.0005753319 0.0006074130 0.0007086211 -0.0067139279 0.0028855690 -0.0148978262 0.0385307854 -0.0934385072 0.0761844782 -0.0012886732 -0.0009388784 -0.0001780436 0.0454875355 0.0620255615 0.1120497937 -0.0362066316 0.0122506642 -0.0835946691 0.1609341245 -0.4723429775 0.4051428599 0.2706414193 0.3245278839 0.5855455442 -0.0065054621 0.0044434466 -0.0124650789 0.0211130371 -0.0826108192 0.0605458562 0.0549748211 0.0326264730 0.0823802738 -0.0000038531 0.0001350949 -0.0008284679 -0.0000012042 0.0000051007 -0.0000720910 0.0000080332 -0.0001464156 0.0008105839 0.0000157051 0.0000272264 0.0000452680 0.0000091763 -0.0000078273 -0.0000343630 -0.0000648175 0.0000822980 -0.0000561826 -0.0000361956 -0.0000135710 0.0004987565 0.0000198954 0.0000112891 -0.0000163746 -0.0003371298 -0.0000412915 0.0001168183 0.0000877131 -0.0000651994 0.0000396087 -0.0001720191 -0.0000214400 0.0000380777 0.0000814640 0.0002606800 0.0000814376 0.0020445421 0.0000152246 -0.0005030056 0.0000278449 -0.0000211528 -0.0000407250 0.0000803499 0.0001394896 0.0000202717 0.0000083662 0.0000772580 0.0003978458 -0.0004489988 0.0000247496 0.0001356813 -0.0003748559 0.0000647181 0.0003626863 0.0000039442 -0.0000570644 0.0004011946 -0.0002515659 0.0010517733 -0.0033359062 0.0002903565 -0.0001983270 0.0002936438 -0.0000028506 -0.0000336093 0.0000318380 0.0004385052 0.0002234362 -0.0000768473 -0.0004659469 0.0004463084 -0.0001724908 0.0000226040 -0.0004340765 -0.0000138668 0.0001412062 -0.0003286923 -0.0000758474 -0.0021431854 0.0016817564 -0.0007090967 0.0003271230 0.0020813433 0.0015595003 0.0001759447 -0.0008547907 -0.0004717656 0.0005805679 0.0082470936 0.0068732963 -0.0037266922 0.0031385746 -0.0007780050 0.0000464752 -0.0000099371 -0.0001185281 0.0000585420 -0.0002783466 -0.0001563318 -0.0006062877 0.0008468706 0.0007470929 -0.0000097649 0.0000346152 -0.0000707970 0.0002474729 -0.0005804531 0.0004577886 -0.0003837716 -0.0001664234 0.0001242495 0.0001371805 0.0002048265 0.0003476927 -0.0001053726 0.0001501598 -0.0002235569 0.0006880562 -0.0020272402 0.0018736675 0.0004846546 0.0006815967 0.0009374062 -0.0001139155 -0.0002916485 -0.0002665511 0.0005405643 -0.0008310826 0.0002264842 0.0021766641 0.0017777867 0.0043668066 -0.0016340900 0.0040834109 0.0006741095 0.0016555408 -0.0015687361 -0.0040789757 -0.0015398435 -0.0055397511 0.0449156529 0.0001274550 0.0150214907 0.0052108054 0.0001749702 0.0001790285 -0.0008276804 -0.0015565098 -0.0002928765 0.0007545811 -0.0036084003 -0.0004241432 0.0104601298 -0.0000485217 0.0002414376 -0.0001281188 -0.0016531254 -0.0005159097 0.0004666140 0.0014173043 -0.0026328284 0.0006211796 0.0003871617 0.0001669030 -0.0000318226 -0.0011494340 -0.0023244501 -0.0006086995 -0.0031790190 0.0002579190 0.0013372207 0.0001968183 0.0002125989 0.0000936572 -0.0008593061 -0.0024423563 -0.0002783352 0.0000482176 -0.0002454327 -0.0009408112 -0.0016063517 0.0000727668 0.0004133915 0.0000481510 -0.0002483776 0.0006688301 -0.0024297678 0.0190890212 -0.0831692875 0.0334190343 -0.2525890436 0.9618250619 0.0001996219 -0.0003179120 0.0000423008 -0.0001018397 -0.0000161825 0.0000061743 0.0010081939 0.0004877142 -0.0001911806 0.0003296107 -0.0003953612 0.0001525978 -0.0000610645 0.0000528896 0.0000622657 -0.0001355681 0.0000658166 -0.0000424745 0.0015717517 -0.0012331714 0.0004603582 0.0001590274 0.0005105801 0.0002971809 -0.0003618290 0.0002327935 0.0000097291 -0.0007685287 0.0004581729 0.0009711298 0.0033128842 -0.0032210217 0.0005161738 -0.0005550827 -0.0005103904 -0.0007948099 0.0004588450 -0.0002779718 0.0003265759 -0.0038292088 0.0065650938 0.0066779675</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">-115.15697783 28.72549618 32.84253913 51.76503658 58.55766258 68.54095623 74.43812283 78.75867616 101.07420919 102.77396375 118.46600197 134.09094930 146.00372884 166.46846424 189.32253127 223.93990174 238.09727688 261.82303102 264.23796069 266.99514864 293.49718926 314.15512548 348.06130503 356.94393008 367.67938894 402.58317927 442.19584518 495.55306634 532.68124615 563.37518141 589.40095476 690.16234085 748.16449443 760.69750153 764.20263874 789.79909963 798.93388360 801.11216063 861.42055529 864.13183281 883.04745336 902.81013085 905.98803442 915.09985061 942.80852885 953.82097231 986.51450851 1002.77158000 1023.66945833 1041.16184052 1068.11651713 1077.66156902 1078.63558151 1121.76441333 1126.90233273 1132.23572568 1147.03839790 1153.25487345 1163.92098591 1176.53947975 1199.20750220 1211.74629663 1234.74501013 1253.31509420 1271.95752541 1294.10308773 1309.29512524 1312.19907672 1329.96031661 1338.73758633 1344.60618985 1353.32914584 1367.61247847 1380.64592497 1391.96114872 1405.54163780 1406.29688652 1413.19094652 1418.78927337 1420.38079424 1433.73795839 1444.02370180 1466.81024320 1472.77605472 1475.84939622 1478.66191037 1485.01889204 1487.89153493 1488.82798774 1490.02169789 1490.89213761 1492.61694203 1500.10548116 1501.36820307 1506.06554332 1513.09413475 1519.84986829 1702.03034614 1747.37284253 2842.39296905 2946.75057776 2990.69406961 3004.87605687 3008.61701541 3009.83663092 3010.18705321 3018.69408351 3022.37429094 3024.17008084 3034.11489829 3042.55978937 3074.59978515 3075.52364506 3080.61838001 3081.90999096 3082.78471478 3086.44529942 3087.18921187 3093.06793532 3100.01087179 3104.01051825 3106.88101288 3111.90353864 3116.27150365 3143.35371558 3169.41439951</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="126">5.84134406 3.73397743 3.43020695 3.05512544 2.04389486 2.62403444 2.17574791 2.76995547 3.96113639 2.72089250 4.91125309 3.58915489 2.96993428 2.88348036 3.39069335 2.14576066 1.21009117 1.11930742 2.26656777 2.69535494 2.91895753 1.77840687 2.64774600 2.57644805 2.68037293 4.49749562 2.16883569 3.41324693 2.86814277 2.69813623 2.59952119 3.06195608 1.26120583 1.14099873 1.12170612 3.13436622 1.28218161 2.65271421 1.57393728 1.99857077 1.38417067 1.76457498 1.65773468 1.39784260 1.91266778 1.70726620 1.67384608 1.50961244 1.76898917 1.66903778 2.56166723 2.23759236 2.13825544 2.15612839 1.87915321 1.63440482 2.20379693 2.09749072 1.87223012 1.88910216 1.90405404 3.21557716 1.40467497 1.36753779 1.30319638 1.22684460 1.22602744 1.31494240 1.11506195 1.15308621 1.17618430 1.21310337 1.44646989 1.36264007 1.32844708 1.31741148 1.27715546 1.27784958 1.46821983 1.49117015 1.44733096 1.48937752 1.08168079 1.11653891 1.10229263 1.12582299 1.10657833 1.06852085 1.05522281 1.04999721 1.05239471 1.03999921 1.13572445 1.08877808 1.07140601 1.81298667 1.16754342 8.09926045 9.80674917 1.08585860 1.07297182 1.06649068 1.06448692 1.03832530 1.03951984 1.04339487 1.06692991 1.05924983 1.06774568 1.06235989 1.10106598 1.10666509 1.09189087 1.06972533 1.09555810 1.09782043 1.10238438 1.10069180 1.10470116 1.10270365 1.10105048 1.10088227 1.10368494 1.10356238 1.10614688 1.08843361</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">-0.0037471463 -0.0142816750 0.0344489824 0.0174298231 0.0323954772 0.0788272058 -0.0191009494 -0.0046882165 0.0075596870 0.0130344990 -0.0741339256 0.0585350457 -0.0255659246 -0.0016962541 -0.0188776230 -0.0448769537 -0.0532633570 -0.0705361250 -0.0545827870 0.0795498531 -0.0517796083 -0.0008752590 -0.0109962620 0.0346348490 0.0143617257 0.0363570796 0.0914308656 -0.0207258361 -0.0756117532 0.0720991483 0.0519365824 0.0158515238 -0.0108807869 0.1062908054 0.0685267088 -0.0391575679 0.0560905505 0.0388927356 -0.0455417396 0.0492857779 0.0915110668 -0.0775696211 0.1480179112 -0.0252026951 0.0231098314 0.1031121305 -0.0428161858 0.0781008741 0.2034658830 -0.0533269195 0.0254454582 0.1445392199 -0.0221373327 0.0144822243 0.1721618690 -0.0526576788 0.0843967928 0.1838147413 -0.0279144460 -0.0456318413 0.0375111655 0.0108302836 0.0053318497 0.0295289325 0.0113513184 0.0155476556 0.0160855360 0.0263712029 -0.0626363410 -0.0183171493 0.0148273950 0.0678986832 -0.0211295856 0.0174315965 0.0588307187 -0.0747126242 0.0309414214 0.0645676544 -0.0012549328 -0.0028834648 0.1254439708 -0.0587216126 -0.0570666221 0.0135946923 0.2546120432 0.2104971815 -0.0260267177 0.1320071955 0.1364065677 -0.0407434866 -0.0016716467 0.0371288324 0.0079518606 0.0670608363 0.0359576249 0.0980715588 0.0753906660 0.0600769884 0.2034113806 0.0799228154 0.0210105536 0.0182870757 0.1608091558 0.0418196386 0.0773108025 -0.0847040186 0.0136128993 0.0784651015 -0.1002388506 0.0293476979 0.1689967922 -0.1901599815 0.0071528832 0.1065520426 -0.0942257670 -0.0284520383 -0.0987954496 0.0307056195 0.0192512390 -0.1742595903 -0.0831709882 -0.0303499244 -0.1775900744 -0.2775763348 -0.1397177184 -0.1176589631 -0.2107435879 -0.1007404454 -0.0841193898 -0.0551852359 0.1334845111 -0.1323330860 -0.0645368994 -0.1842645062 0.0159200223 -0.0997359956 -0.2142052344 -0.0025765770 -0.0366902142 -0.2334578668 0.0081878457 -0.1099559373 -0.1460220008 0.0159278330 0.0006318345 -0.1340827030 0.0487889846 0.0291544667 -0.1088991188 0.0666762497 0.0487817121 -0.1674023023 0.0454149541 -0.0309887672 -0.0704310126 0.0631909270 -0.0692010951 -0.0764664713 0.0710284215 -0.0500076535 -0.0546633220 0.0684069665 0.0226593641 -0.0199022301 0.0408494692 0.0257487513 -0.0106854043 0.0265797161 0.0415570344 0.0069758987 0.0298347962 0.0134420220 -0.0166844028 0.0453807168 0.0208314074 -0.0237515872 -0.0060228436 0.0252063436 -0.0135984503 0.0099270891 0.0047129138 -0.0598308018 -0.0087472570 0.0292185320 -0.0046046061 -0.0583863692 0.0233534883 -0.0137411514 -0.0816926591 0.0202325829 -0.0203812567 -0.0745841975 0.0555431960 0.0455732075 -0.0615879085 0.0482264815 0.0599909315 -0.1019029959 0.0617884883 0.0411938978 -0.0398593796 0.0839745073 0.0805244419 -0.0409035389 0.0947295819 0.0694896804 -0.0014689811 0.1008748226 0.1148037191 -0.0468942319 0.0787949551 0.0850763848 -0.0585197471 0.0297095061 -0.0325033585 0.0402943481 0.0248592638 -0.0096777757 0.0298749800 0.0283863556 0.0020515321 0.0331267549 0.0072621231 -0.0224357601 0.0560595026 -0.1877205181 0.2304915520 -0.0087438825 -0.2250153577 0.2992990846 -0.0273892623 -0.2441296248 0.2023970190 0.0792382423 -0.1736212237 0.2707650842 -0.0601486752 -0.0884295756 0.1291871167 -0.0305066393 -0.0302355146 0.1652486646 -0.1109400677 -0.1132415874 0.0961952281 0.0162031808 -0.0331973434 0.0294322785 -0.0096887591 0.0040482355 0.0301020061 -0.0182207537 -0.0819866321 -0.0207146404 0.0264372098 0.0439926926 -0.0004316994 -0.0200309955 0.0701589461 -0.0054327191 -0.0825131811 0.0701778887 -0.0225562006 0.0245012613 0.0443880273 0.1027861093 -0.0003054661 0.0962970639 0.1322687086 0.0101124151 0.0118414712 0.1401424949 -0.0290039482 0.0504147569 0.0647794848 0.0171794666 0.0140747178 0.0677701044 0.0008513492 -0.0340590243 0.0419640461 -0.0097313514 0.0058860542 0.1038367118 -0.0157433654 0.0547850327 0.0182379444 0.0392543561 0.1060079868 0.0375641427 0.0449261974 0.0472662124 -0.0165810067 0.0570190996 0.0045535080 -0.0301532067 0.0622631745 -0.0059820343 -0.0398811071 0.0896999851 0.0087065585 0.0172209009 0.0976343582 -0.0406998450 -0.0575682125 0.1428300400 -0.0017682736 -0.0997182976 0.0415561381 -0.0111150468 -0.0764495069 0.1203682719 -0.0076287715 -0.2145002920 0.0361685426 0.0178366281 -0.0452226860 -0.1035255032 0.0188235004 -0.0925061937 -0.1250510729 0.0244882364 -0.0871462739 -0.1879162570 0.0252823082 0.1207616160 -0.1178308818 0.0125638645 0.1575417145 -0.2287314754 0.0289475527 0.1351103454 -0.1040395607 0.0477669950 0.2152505763 -0.0072238971 0.0654118376 0.1908142420 0.0972521672 0.0470682851 0.3280842865 -0.0275531558 0.0476924868 0.2017692318 -0.0053224799 -0.0301919618 -0.0419657962 0.0647691033 0.0217344308 -0.0212613144 0.0671070598 0.0425485151 -0.0193955660 0.0671985414 0.0405879725 -0.0075070755 0.0512108222 -0.0707126387 -0.1538522321 -0.0976410053 -0.0579256409 -0.1979128592 -0.1470689899 -0.0516021300 -0.1363372361 -0.1067114488 -0.1224218876 -0.1805899203 -0.0581764089 -0.0460573992 -0.0871452832 -0.0736390983 -0.0685286781 -0.1104495106 -0.0689468444 0.0108359546 -0.0653872215 -0.1119943353 -0.0652974854 -0.0218967763 -0.0089810922 -0.1287194652 -0.0207446223 0.0018174537 -0.0410977114 0.0136164666 0.0154629890 -0.0393139791 -0.0080799347 0.0013484399 -0.0139367464 0.0174540350 -0.0032921890 -0.0201659667 0.0095110697 0.0044067725 0.1701141297 0.0206426891 0.2292883933 0.1739501520 0.1475408587 0.3748954500 0.1489372954 0.0622442630 0.2428609583 0.3080125928 -0.1451957933 0.2556138400 0.0229092673 0.0165939467 0.0011260106 0.0404603746 -0.0841284765 -0.1237691969 -0.1160452107 0.1503927767 -0.0107439509 0.0331582535 -0.0294225211 -0.0440598876 0.0457288615 -0.0196143198 -0.0351112618 0.0732656750 -0.0515157974 -0.0595928750 -0.0105132925 -0.0525727280 -0.0640226990 0.0120532100 -0.0332708576 -0.0287961005 -0.0197945445 -0.0487703032 -0.0329626667 0.0588753365 -0.0327123910 -0.0485086822 0.0125089223 0.0221033305 0.0265753620 0.0307044631 0.0504644689 0.0591636901 0.0545760391 0.0177613846 0.0294420905 -0.0579800827 0.0453888492 0.0333147091 -0.0552454345 0.0832870568 0.0611465911 -0.0755345651 0.0182686808 0.0079898580 -0.1055978040 0.0592123062 0.0297994867 -0.1584724731 0.0810885591 0.0277821120 -0.1133230054 0.0146198911 -0.0000111334 -0.0781406411 0.1047494444 0.0655945759 -0.0248098300 0.0815018135 0.0614940584 -0.1239715115 0.1156427268 0.0631494145 -0.0647197909 0.1520276731 0.1018022734 -0.0094459276 -0.0475724611 -0.0639779050 -0.0077004760 -0.0636186586 -0.0527419824 0.0074125235 -0.0676905624 -0.0543316069 -0.0170279319 -0.0630214209 -0.0654152315 -0.0364845348 0.0727589368 -0.0026539890 -0.0709698042 0.1489777612 0.0146821008 -0.0885195501 0.0172586673 0.0006363143 0.0345409251 0.0763199012 -0.0159542009 -0.0177064725 0.0413852973 -0.0106027371 0.0346062518 0.0998897272 -0.0105154756 -0.0921401286 0.0429511559 0.0012538058 0.0281627833 -0.0591600922 -0.0361478421 0.1071647058 -0.0825009458 -0.0235656436 -0.0187212854 -0.1247614856 -0.0719549991 0.0278400733 -0.0327033089 -0.0303362318 0.0261123738 -0.0148721870 -0.0062442279 -0.0023983441 -0.0467060737 -0.0474330033 -0.0191675469 0.0208538862 -0.0361433989 0.1402421826 0.2375400438 0.1424214919 -0.1154774665 0.0633025883 -0.2495496222 -0.0268152849 -0.2619435308 0.1176052405 -0.0869900909 0.0515662143 -0.1871708593 -0.2189848283 -0.1439176110 -0.3594063139 -0.0964336738 0.2964011848 -0.3176064950 0.0201402078 -0.0032127541 0.0601943898 0.1695961890 0.1061273807 0.1530745170 -0.0473632270 -0.1821126723 0.1673399666 -0.0099064805 -0.0266510747 0.0406804132 0.0044758101 -0.0043108069 -0.0144660375 0.0217633994 -0.0322442533 -0.0166359682 0.0157879881 0.0033807117 -0.0361195973 -0.0102279153 0.0359544849 -0.0296915205 0.0146378105 0.0432524146 -0.0648747379 -0.0324920999 0.0679478708 -0.0299165841 -0.0322051182 0.0322939627 -0.0024604998 -0.0446631090 0.0706826070 -0.0219706761 -0.0646810791 0.0291906766 0.0364153740 0.0021983803 -0.0172453349 0.0033822831 -0.0257214709 -0.0121171824 0.0241803306 0.0107216944 -0.0628960847 0.0317425906 0.0618695950 -0.0140630067 -0.0521269264 0.0935574422 -0.0251211415 -0.0712380048 0.0866393423 -0.0492060921 -0.0455534408 0.0541717412 0.0348096873 -0.0847726335 -0.0434230723 -0.0753092298 0.0408568523 -0.0131805990 -0.0085067545 0.0182486907 -0.0048418113 0.0280363280 0.0276999010 0.0353128214 0.0175496539 0.0567247005 0.0015167963 0.0323126827 0.0263285583 -0.0228373319 0.0873904248 0.0421348899 -0.0352026212 -0.0131383669 0.0120656258 0.0617898218 0.0257928004 0.0267561189 0.0028598438 0.0270355436 0.0246886418 0.0394730189 0.0732307923 0.0390372461 -0.0572879361 0.0363252347 0.0240870059 0.0337888284 -0.0422908061 0.0049162725 0.0939836479 -0.0655451139 0.0213172656 0.0016898537 -0.0899929821 -0.0302357874 0.0292720058 -0.0110728325 0.0129352490 0.0175053581 -0.0133522591 0.0296569123 0.0248666386 -0.0017699920 -0.0013236193 0.0290202895 0.1172606311 -0.0227476860 0.0249087930 0.0413459289 -0.1088992430 0.0308127786 0.1515371166 0.0470071184 0.0375375647 0.2170672812 -0.0796924086 0.0249725188 0.0473677803 0.0686519925 0.0204595807 0.1121911382 0.1458836258 0.0243560582 -0.0303668760 0.1105822994 0.0281750842 0.0058910510 -0.0000927991 0.0233434611 -0.0105847211 -0.0219887344 0.0633887130 0.0286885558 -0.0292465548 -0.0072576749 -0.0319068222 0.0000796364 0.0352962629 0.0124904275 -0.0242467349 0.0425356628 -0.0222496258 -0.0274357909 0.0863062742 0.0153437667 -0.0532917555 0.0145812548 0.1075406227 -0.0148237325 0.0634396743 0.1241554260 -0.0769948922 -0.0044325418 0.1831882672 -0.0129863245 -0.0502638287 0.0986285684 0.0629042862 -0.0787789481 0.1970877711 0.0229321448 -0.1297446341 0.0890014999 0.1543099113 0.0218023755 -0.0231725873 0.0769115627 -0.0501401630 -0.0094574016 0.1294439978 0.0376976952 -0.1324183898 0.1299778896 0.1650163202 -0.0118095858 -0.0506971911 0.2468127165 -0.0408368784 -0.0982721605 0.2174777311 -0.0954509070 -0.0349367006 0.1489849082 0.1092843456 -0.1222811797 0.0017317326 -0.0231984632 0.0001957112 -0.0034237814 -0.0219264787 -0.0033450159 -0.0284325241 -0.0255542401 -0.0038906906 -0.0145200239 -0.0343486454 -0.0020658569 -0.1076808109 0.0366012920 0.0068071963 -0.0755280154 -0.0427433608 -0.0314812346 -0.0593139707 0.1473980850 0.1605718123 -0.2592762597 0.1226901751 -0.0803011174 -0.0220256706 -0.1059158391 -0.0295762690 -0.0598121899 -0.1984432451 -0.1678957397 0.1065463204 -0.1882165255 0.0510519329 -0.0569773206 -0.0202610436 0.0040347931 -0.1476667401 0.0229459154 -0.0294332682 -0.0098919191 0.0521196366 0.0703456500 -0.0389440551 -0.0751969413 -0.0116526555 -0.0284082518 -0.0912049758 -0.0488438973 -0.0022539614 -0.0713789106 0.0210974238 0.0188925975 -0.0237483274 0.1300921477 0.0399600772 0.1178730952 0.2849419691 -0.0043655255 -0.0149025668 0.0759672403 0.0956107426 -0.2092780483 0.1941345065 -0.0699882065 0.0191378972 -0.0723060597 -0.0669061021 -0.0910940565 -0.2018929619 -0.1541632122 0.1619619330 -0.1137257810 -0.0565847946 0.0129757382 -0.0376097612 -0.0357071952 0.0294911533 -0.0232426183 -0.0707766932 -0.0152836707 -0.0190759102 -0.0108822222 0.0520531213 -0.0040853938 -0.0057604562 0.0375846890 0.0494361226 0.0052607569 0.0910722498 0.0564949377 -0.0383832988 0.0203623603 0.1007980115 0.0005480096 -0.0284515848 0.0118618360 -0.0277238983 -0.0519799741 0.0130042870 -0.0191079899 -0.0518323766 0.0095075993 0.0689985245 -0.0418119307 -0.0168423480 0.0762985342 -0.0991833857 -0.0227901555 0.1066077267 -0.0193134592 -0.0277381255 0.0782178222 -0.0153830694 -0.0184919629 0.1514508849 -0.0414333585 -0.0301268543 0.0767886410 0.0650755381 -0.0196813971 -0.0040894317 -0.0642236944 -0.0035191268 -0.0853485518 -0.0308818937 0.0159415423 0.0170922676 -0.0443236368 -0.0069011465 -0.0099664268 -0.1548106417 -0.0082114779 0.0035701391 0.0967768498 -0.0048573397 0.0084741998 0.0394734478 0.0207430552 0.0002781583 0.0045171475 0.0117231979 -0.0511056274 0.0125451450 -0.0299163508 -0.0527110554 0.0234532412 -0.0094187395 0.0018614448 -0.1131776941 -0.0793299880 0.0293639760 0.1779381323 0.1631599310 -0.2739609474 0.1101569713 -0.0882879760 0.0501384610 -0.1020734643 -0.0385024220 -0.0154159067 -0.2330712339 -0.1972442576 0.2427897186 -0.1868870292 0.0334341015 -0.0111775470 0.0484630304 0.0363287565 -0.1606288843 0.0997767986 0.0042918892 0.0589871634 0.1572175190 0.1338095196 0.0213084101 -0.0095718555 0.0175486041 0.0209487221 -0.0486495061 -0.0344707300 0.0607408845 -0.0202895068 0.0632606272 -0.0108720611 0.0505199591 -0.0535412246 0.0232498489 0.0120264693 -0.1137052834 -0.0235900181 0.0589132710 -0.0767972312 -0.0672245860 0.1009651474 -0.0550847290 0.0332759774 0.0263153069 0.0504570479 -0.0101115879 0.0507988966 0.0968447792 0.0910465939 -0.0059218133 0.0415131150 0.0560799961 0.0134711600 0.0974010236 0.0840058086 0.0432257474 0.1284234441 0.0556924693 -0.0345421069 0.1158812080 0.0099246422 -0.0219379903 0.0349323028 0.0094143978 -0.0012678134 -0.0451375242 0.0279351027 -0.0225432714 -0.0466368597 0.0042255073 0.0066658350 -0.0612849955 0.0018764392 0.0097500679 -0.0590974876 0.0083486788 0.0143336821 -0.0616477729 -0.0036851634 0.0101713410 -0.0595082343 -0.0033565174 0.0112317793 -0.0574980415 0.0179633558 -0.0167675551 -0.0041972706 0.0384347234 0.0177120909 -0.1029038143 -0.0885161642 0.0366221359 -0.0634134418 -0.0315688631 0.0101340547 -0.0497457138 -0.1059975447 0.1107329502 -0.1243068004 -0.2268110966 -0.0144674333 0.0023490074 -0.2981026813 0.0203972968 -0.0157983866 -0.2910646239 0.0010441024 -0.0012867204 -0.2073008680 -0.1062602493 0.0803788368 -0.0039218967 -0.0767279118 0.0350082848 0.0000363084 0.0067312235 -0.0023518434 -0.0044393406 0.0484096730 0.0089945015 0.0441695899 0.0250890756 0.0731115267 0.0052608684 0.1165657597 0.0411654241 0.0503312445 0.0203896617 0.0291202377 0.0735327645 0.2642588203 0.2358314968 -0.1695698744 0.2432960198 -0.0931459469 0.0817786926 -0.0979075601 -0.0194764404 0.0384375893 -0.2081044945 -0.1894271743 0.2183018335 -0.2135936352 0.1020590448 0.0396215916 -0.0122812851 -0.0078722934 -0.0368739692 0.0126398312 -0.0231956137 0.0848391648 0.0520208535 0.0316134787 0.0388489371 -0.0254974405 -0.0124845154 0.0236232511 -0.0515668507 -0.0237756375 0.0557831748 -0.0175112937 -0.0045857908 0.0641829519 -0.1702551165 -0.0139164316 0.0489909957 -0.0976645487 0.0773227449 0.0795602186 -0.2461726236 -0.1096936901 0.0180641874 -0.2667974705 0.0580289302 0.1160363770 -0.0499589005 -0.0948788140 0.1370383625 -0.1039468947 -0.1674074124 0.1478586765 0.0123258665 -0.1431713708 0.0952700451 0.0316615316 -0.0059306638 0.0866257695 0.0493899333 0.0234390926 0.0484129054 0.0095226857 0.0300143301 0.0826193796 0.0317066260 -0.0113200335 0.0228862757 0.0074587414 -0.0406479748 0.0382665958 -0.0191954364 -0.0423506341 0.0540539998 0.0120122112 -0.0635764523 0.0043996900 0.0848752463 -0.0410509362 0.0462815503 0.1059879160 -0.0767761138 -0.0095553291 0.1293838330 -0.0401700321 -0.0493374930 0.0870739891 0.0041055899 -0.0536871545 0.1315986709 0.0128254866 -0.0730696498 0.0812516422 0.0262358391 -0.0610016113 0.0364088474 0.0086421459 -0.0415713212 0.0179355397 0.0468120673 -0.0638536023 0.0469376987 -0.0040686800 -0.0980752610 -0.0089289641 -0.0194652291 -0.1263942150 0.0093243039 -0.0546225434 -0.1042542685 -0.0427248100 -0.0133589400 -0.0957582171 -0.0317638170 -0.0090773446 0.1183228393 0.0512736846 -0.0126095573 -0.0053583283 -0.0114840617 -0.0091750462 -0.0549961398 -0.0387283118 -0.0158738331 0.1478586444 0.0887499973 -0.0059902135 -0.1264317340 -0.1355832045 -0.0000061946 -0.1179262643 -0.1831199945 -0.0828165742 -0.1145369933 -0.1341055515 -0.0311838889 -0.1841316146 -0.1933043979 0.0787152713 -0.0876966675 -0.0127065826 0.0429954259 -0.1148275086 -0.0361226532 0.0621306685 -0.0233377306 0.0301947438 -0.0234099363 -0.1088980682 0.0657291629 0.1124709983 -0.1921355547 0.1109048514 0.0749000210 -0.0731966376 0.1271471414 0.1919674039 -0.0698338710 -0.0254412689 0.0816413270 -0.0503977088 -0.0506316862 0.0118462555 -0.0523194454 -0.0721291072 0.1420332947 0.0091392137 -0.1076174867 -0.0006305910 -0.0077679384 -0.0746621526 0.0453334665 0.0240130409 -0.1605529465 -0.0548135616 -0.0268641180 -0.1517317740 0.0390890616 0.0505501781 -0.0323785347 -0.0378914486 0.0659000014 -0.0573779509 -0.0741666091 0.0784734002 -0.0060973881 -0.0642069022 0.0342871255 0.0230617551 0.0129793417 0.0235160537 0.0351867699 0.0356159775 0.0096355628 0.0083014669 0.0332414057 0.0075419082 0.0120541690 -0.0187503372 -0.0823002478 -0.0471466558 -0.0143322996 -0.1195010084 -0.0649943680 -0.0192218148 -0.0921844275 -0.0329903883 -0.0406638992 -0.0601377637 -0.0723885598 0.0497544454 -0.0844024371 -0.0739251061 0.0981077686 -0.0053310148 -0.0932819411 0.0527790069 -0.0791447615 -0.0615945408 0.0406433377 -0.0867615540 -0.0400908601 0.0268465612 -0.1019488500 -0.0805813163 0.0376023579 -0.0581731972 -0.0370401408 0.0391863991 -0.1768994641 0.0214162880 0.0006371209 -0.0490596121 -0.1535861173 0.0663109184 0.1091807001 0.0876238932 0.0459761419 0.2572379835 0.0178025623 0.0659547816 0.0957809514 0.1015225968 0.0434469113 0.1123681549 0.2420616657 0.0320213679 0.0061378352 -0.0140655935 -0.0204848123 -0.0467964148 -0.0116345148 -0.0290050271 -0.0102045918 0.0071868975 -0.0250642981 0.0693818358 0.0677158545 0.0017847843 0.0989979429 0.0823540346 0.0410609728 0.1827752836 -0.0731137724 0.0810364653 0.2263768094 0.2680407037 0.1661590428 -0.0777574288 0.1967237440 -0.0778535990 0.0629981108 -0.0872479885 -0.0176120790 -0.0222082507 -0.2188570695 -0.1187275453 0.1922509762 -0.1892151069 0.0878343865 -0.0143753758 0.0450550195 -0.0518033593 -0.0849277894 0.0581714518 -0.0551357656 0.0495735782 0.1235111865 -0.0511027741 -0.0610946739 0.0606612091 -0.0451710452 -0.0706994993 0.0772852220 -0.0081857315 -0.0993883278 0.0543266677 -0.0758746556 -0.0363003936 0.0352583960 -0.0507751790 0.0649807489 0.0765873300 -0.0494438403 -0.1010866547 0.1182037659 -0.0910612937 -0.0215833193 -0.0159900250 -0.0298529839 -0.1015475269 -0.0493757227 -0.0370216362 -0.1857174855 -0.0879180002 -0.0453687513 -0.1228784117 -0.0011008146 -0.0509924511 -0.0347878586 -0.1422530384 0.0028710826 0.0334699531 -0.0957518470 0.0391170167 -0.0138379201 -0.2228397662 0.0203565029 0.0460936035 -0.0789915677 -0.0337399307 0.1131317243 -0.0250605054 -0.0873196821 0.1063489799 -0.0786822317 -0.0938279768 0.1418069230 -0.0089203116 -0.1366568595 0.1162471851 0.0290956168 -0.0426766734 0.1265515349 0.0356047582 -0.0474995946 0.1455611947 0.0630011500 -0.0392819641 0.0755753571 0.0254336105 0.0064184873 0.0900770581 0.0393077348 0.0587508799 0.0903782353 0.0261206707 -0.0127986330 -0.0051852584 0.0113535348 0.0039524356 -0.0412132634 0.0184712883 0.0304352830 -0.0215688488 -0.0129430899 -0.0536114240 -0.0255899243 0.0261184028 0.0443537017 0.0247728268 0.0121030845 -0.0106860201 -0.1245872649 0.0055338039 0.0469428529 0.0037375112 0.0712161313 0.1326708514 0.1034658429 -0.0592207347 -0.0351923394 0.0824112903 -0.0410237133 -0.0482502393 0.0169343429 -0.0572887200 -0.0506602494 -0.0816483667 -0.1668850803 -0.0196847213 -0.0609743263 0.0036360302 0.0065759162 0.0025489173 -0.1518381924 -0.0651621298 0.0350217613 0.1543809231 0.1287736184 -0.2770235668 0.0597960267 -0.0354832842 0.0046404941 -0.0536004536 -0.0050067326 -0.0597736435 -0.1585742636 -0.0974078781 0.1593895221 -0.1036293611 0.0292026495 -0.0536506142 0.0885835422 0.0511938699 -0.1502302205 0.0957894433 0.0603532690 0.0134862028 0.1698129906 0.0556438906 -0.0880203598 0.1213268523 0.0696022262 -0.0290386885 0.2616301963 0.1636099388 -0.2024944153 0.0751261109 0.0085830787 -0.0168455905 0.0668674356 0.0163295566 0.0859676588 0.1245529744 0.0367330685 -0.0787129889 0.1312394243 -0.0513771825 -0.0170877730 -0.0081672763 0.0561108120 -0.0592743806 0.0122927684 0.0219788467 -0.1392086296 -0.0293037902 0.0078513234 -0.0613458229 0.0679860796 -0.0100198493 0.0012795766 -0.0546059875 0.0866440290 0.0672720571 0.0102906946 0.1515963282 0.0254443568 -0.1672412905 0.1136857380 0.0144764974 -0.0322026263 -0.0024486986 -0.0102402448 -0.0342867570 -0.0223154340 -0.0126522735 -0.0402171220 -0.0233407356 -0.0050246332 -0.0319168357 -0.0288863634 -0.0102963090 -0.0210681853 -0.0033993285 -0.0072014021 -0.0151259618 0.0049809417 0.0061964563 -0.0163077063 -0.0019749458 -0.0353192339 -0.0167927481 0.0086736267 -0.0359528421 0.0024104537 0.0160959717 -0.0448367880 -0.0254391454 0.0058071462 -0.0487590847 -0.0170820002 0.0083176193 -0.0953360251 0.0026669287 0.0049624722 -0.0495719365 -0.0607997569 0.0018666759 -0.0017762214 0.0249069081 0.0191716110 0.0609102519 -0.0012565561 0.0058889876 -0.0372559815 0.0199172523 0.0197516940 0.0085802797 0.0884295907 0.0427012227 0.0909354232 -0.0138018298 -0.0069433941 -0.0206267659 -0.0404293070 -0.0176721938 -0.0378550307 -0.0436642834 -0.0177025126 -0.0566300500 -0.0633720774 0.0346223779 0.1338673089 -0.0503629311 0.0168596936 0.1928174456 -0.1539960005 0.0601375308 0.2234928911 -0.0080003416 -0.1297076349 0.1260095673 -0.1126714268 0.0950303589 -0.0213252135 0.0970321493 0.0460938766 -0.1080840721 0.0388811702 0.1507987049 0.0210861152 0.1408149129 -0.0170065961 -0.0897312912 0.2214775701 0.0493332635 -0.2387965973 0.3220000969 -0.0434059572 -0.0316972057 0.3347080153 0.2327876051 0.0254601497 -0.0002026476 -0.0248129097 0.0775464027 -0.0662892908 -0.2314920430 0.0640425693 -0.1449565321 0.1371444632 -0.0641578815 0.0324402094 -0.0087401375 -0.0231597651 0.0396620337 -0.0188777036 -0.0821050403 0.0313326037 -0.0655986161 -0.1141592984 0.0228033232 0.0186948127 -0.0318877246 0.0361117866 0.0329667613 -0.0684729403 0.0194671361 0.0306963104 0.0036147735 0.0515797380 0.0078836432 -0.0076125293 0.0281814111 0.0886662428 0.0177977223 0.0884335978 0.1638972178 0.0183626013 -0.0709191410 0.1097544920 0.0169243865 0.0584651172 -0.0528457571 -0.0393790856 0.0210762685 -0.1302520590 -0.0721971289 -0.0489071474 -0.1409274338 -0.0703791155 0.0561401758 -0.1957567222 0.0037049902 -0.0528639189 -0.0426343502 -0.0743610683 -0.1093411641 -0.0162219654 0.0782597533 -0.0353052731 -0.0367920634 0.0592260001 -0.0945574686 0.0100985258 0.0937624196 -0.1577103429 0.0856213364 0.1429494783 -0.0559828925 -0.0356244598 -0.0510540850 -0.0654553849 0.0018722463 -0.2028132338 -0.0011044515 -0.0099488403 -0.0690051581 -0.1818669897 -0.0649528508 0.0534535670 0.0816309449 0.1023932616 0.2977832057 -0.0135297214 0.0075117896 -0.1716680091 0.0569900648 0.1043026847 0.1190117407 0.3197835393 0.2794035900 0.1033370872 0.0508874811 -0.0579440104 -0.0183739932 0.0670829635 -0.0869830395 -0.0856493494 0.0559087185 -0.0881162326 -0.0483435130 0.0557346044 0.0132872799 -0.1035753646 -0.0284646414 -0.0314961524 -0.1613129039 0.0557618287 -0.1205508224 -0.1921265346 -0.1135890979 -0.0016270141 -0.0767316776 -0.0630472526 0.0081784224 0.0258237208 0.0095015778 -0.0042244078 0.0820577662 0.0603167214 -0.0344467204 0.0125911754 0.0373566522 -0.0372183569 0.0690371817 -0.0478792799 0.0496533832 0.0981628341 -0.0576711403 0.0572758760 0.0400543550 -0.0849247209 0.0381499910 0.0530450929 -0.0380579641 0.0448604552 -0.0040200520 -0.1046528551 0.0593781437 0.0654105468 -0.0187574508 0.0391460353 0.0353733670 -0.0235553315 0.0286601468 -0.0782493484 -0.0821955712 0.0124166966 0.0960712060 -0.0550775706 0.1541615637 0.0995946860 0.0526661129 -0.0405024502 0.0237722688 -0.0089833989 -0.0082361064 0.0918921547 0.0319003593 0.0074264724 -0.0095430591 -0.0535254439 0.0313438256 -0.0247804192 0.0280492597 -0.0914590805 -0.0826856736 -0.0486010963 -0.1766450334 -0.0587998385 0.1609014861 -0.1195190989 -0.0462336879 -0.0127452113 0.0345596209 0.0446952497 0.0108661720 -0.0350838968 0.0888413845 -0.0351603725 -0.0375698234 0.0023479130 0.0295547565 -0.0612985756 0.0348874229 -0.0019308157 -0.0888277468 0.0379070060 -0.0265648334 -0.1578325657 -0.0115226043 0.0547080185 -0.0896423683 0.0453445544 -0.0327144045 -0.0258160119 0.0741978832 -0.0435166826 0.0605651210 0.0933470250 -0.0069786338 -0.0436924479 -0.0837237269 -0.0840537560 -0.0293891974 -0.2482044385 -0.0354662269 0.0298595553 -0.1019286121 -0.2291224547 -0.0957173298 0.0254649380 0.0141038046 -0.0022836864 0.3015873682 -0.0784797881 -0.1977889134 -0.2329174787 -0.1097364818 0.0167429533 0.0998641736 0.3110246863 0.1956664402 -0.2259815856 -0.0856733204 0.0438490651 0.0596417869 0.0526529542 0.0306759813 0.0649403818 0.0897622665 0.0404648492 0.0425419754 0.0264037284 -0.0148045565 -0.0179606785 -0.0292337396 0.0043367465 0.0068002234 -0.1025122108 -0.0575400712 0.0189295019 0.0141258717 0.0128012316 -0.1068778483 -0.0483181575 0.0391057003 0.0137075175 0.0274363208 0.0252248533 -0.0128330111 -0.0044093514 0.0190344465 0.0746829100 0.0407409933 -0.0033119674 -0.0071185634 0.0903344896 0.0796920309 -0.0783353944 0.1233407246 0.0532261948 0.0185252090 0.1370258673 0.1480896886 0.0379552093 0.0253784272 0.0594326629 0.0638471541 0.0119326047 -0.0057534542 0.0712239914 0.0031095975 0.1109492308 -0.0104079996 -0.0204908324 -0.0043480959 -0.0023807201 -0.0269201687 -0.0154327372 -0.0082489778 -0.0455029193 -0.0448347309 -0.0630602866 -0.0128273762 0.0154326175 0.0343419296 0.0027947167 0.0352451887 0.0146036981 0.0018863286 0.0399166366 0.0762439309 -0.0005473028 0.0179694297 0.0409981306 0.0130525839 0.0730007240 0.0503958251 0.0761999097 0.1604664958 0.0812683045 -0.0890523392 0.0874087249 -0.0697631742 -0.0351338291 -0.1194882381 -0.0432306499 0.0402452112 -0.0491277423 -0.1324143591 0.0982406161 -0.0490272234 0.0011216797 0.0175237985 -0.0166566276 -0.0017790450 0.0048029300 0.0685010233 -0.0625358039 -0.0083992336 0.1655256715 0.1026285494 -0.0501125927 0.0735637670 0.0423430662 0.0061635890 0.0311239801 0.0332951990 -0.0375487216 -0.0195547757 0.0516602986 0.0143560868 0.0311340675 0.1360803835 0.0705743292 0.0322799400 0.2817375897 0.0305557203 -0.0317643845 0.1477281767 0.2056585109 0.0821890896 0.0277993150 -0.0053569028 0.0393860952 -0.2487255238 0.0827913820 0.2639095754 0.2903042081 0.1523377765 0.0140611090 -0.0485645558 -0.3085814561 -0.1621012499 -0.1389640239 -0.1898656319 -0.1199450508 -0.0400295633 0.0040550104 -0.1468899718 0.0021512795 0.0081809073 -0.1471809316 0.0001416704 0.0606690846 -0.0304514196 -0.0358681647 -0.0288764528 -0.0017479644 -0.0205558922 -0.0919086450 -0.0862700774 -0.0135732298 0.0033115903 0.0199503273 -0.1303492964 -0.0530698321 0.0404844807 0.0253278779 0.0327951098 0.0240922482 0.0130697903 0.0132739958 0.0093062610 0.0789551239 0.0503807370 -0.0088060875 0.0123422185 0.0788470940 0.0769093529 -0.0415893751 0.1086749193 0.0508348765 0.0295189911 0.1126084094 0.1327352241 0.0241481087 0.0171933999 0.0502019908 0.0030232656 -0.0179968364 0.0241911680 -0.0218252461 -0.0666028848 0.0802164174 -0.0007797581 0.0200430083 0.0039540616 -0.0732690829 -0.0455381365 -0.0387187117 0.0344552978 0.0318978592 0.1335787291 0.0712907626 0.1069627864 -0.0743629195 -0.0329502290 -0.0137168640 -0.0039155295 -0.0417222933 -0.0171808903 -0.0041594750 -0.0561507041 -0.0019522419 0.0001936833 -0.0240373146 -0.0233014947 -0.0012055217 -0.0257802390 -0.0153066845 0.0095093415 -0.0400117950 -0.0292863437 0.0109113445 0.0471159874 0.0265898624 0.0024668862 0.0196514880 -0.0239032284 -0.0180848177 -0.0326050972 -0.0716602727 -0.0274607654 -0.0395424095 0.0126551224 -0.0762194244 0.0503416668 -0.0818608003 0.0697024472 0.0417079320 -0.0234932280 0.2319227891 0.1618128925 -0.1928383776 0.0733476810 -0.1194821247 -0.0037671190 0.0023732952 -0.1397812203 0.1312985153 0.0070736587 -0.2356501300 -0.1045352207 -0.0171708340 -0.1223919981 -0.0264317283 0.0001778049 -0.1781338983 -0.0089693779 0.0149769408 -0.1115402688 -0.1057230546 0.0334521113 -0.0049256017 -0.0141257785 -0.1010133764 -0.1578654613 0.0135921598 0.1564157185 0.3710477714 0.1106454459 -0.1189105453 -0.1145735470 -0.1643456242 -0.4386670563 0.0052405430 0.0107725890 0.0094924230 0.1270591156 0.0925444802 -0.0035361921 0.0997110555 0.0772696958 -0.0060925990 -0.0031950297 0.0033882749 0.0008032806 -0.0327993419 -0.0064701446 -0.0358220702 -0.0402794397 -0.0255147846 -0.1293496804 -0.0452762053 -0.0055348205 0.0022461184 -0.1005598632 -0.0270712363 -0.0018565863 0.0574206090 0.0349623989 -0.0091768500 0.0686217730 0.0379585711 -0.0332716084 0.0888903117 0.0520086042 -0.0370447029 0.0602421675 0.0430006898 0.0326830220 0.0536115295 0.0601399266 0.0147043527 0.0660735272 0.0533121478 0.0362951694 0.0079568206 0.0011112224 0.0224122825 -0.0067163815 -0.0275303783 0.0352795955 0.0636117770 0.0695982616 0.0195266545 0.0205096884 0.0095057071 0.0102901672 -0.3850890464 -0.2652132441 -0.1211456689 0.2358249427 -0.0562386623 0.5403648334 0.2857263932 0.3678874086 -0.2979551807 -0.0466582216 -0.0043136516 -0.0775852216 -0.0697472232 -0.0631977676 -0.1359536758 -0.0789020211 0.0730066336 -0.1053077218 -0.0141310891 -0.0139488520 0.0116885506 0.0422421557 0.0315165654 0.0525117078 -0.0646133408 -0.0810872317 0.0677399990 0.0062589372 -0.0045716562 0.0149188587 -0.0156787112 -0.0019366087 -0.0244501787 -0.0143806452 -0.0228417660 -0.0265848044 -0.0042109059 0.0048541617 -0.0442330856 -0.0151222826 0.0117556614 -0.0121034381 -0.0205586329 0.0001656728 -0.0284586205 -0.0135815422 0.0326831103 -0.0112767896 0.0117233832 -0.0025538882 0.0042102740 0.0123119301 -0.0244687084 -0.0054282167 0.0281812621 0.0141137896 0.0109404914 0.0292062588 0.0116333800 0.0052306184 0.0546528628 0.0068352610 -0.0129976110 0.0303243120 0.0396507113 0.0102195627 0.0017698539 0.0080909699 0.0284038732 -0.0208337245 0.0157410114 0.0422520619 -0.0040073894 0.0294959617 0.0245272179 0.0036163877 -0.0224882996 0.0394586821 0.0300741581 -0.0182189978 0.0123286609 -0.0316644559 -0.0101529812 -0.0040842861 -0.0384410498 0.0081591573 0.0010176400 0.0227361780 0.0157854267 0.0272389361 0.0045072267 0.0013150670 0.0025153888 0.0067988125 -0.0001480976 0.0114075442 0.0080859727 0.0037561283 -0.0012188386 0.0082728738 0.0031845190 -0.0001908316 -0.0049470494 -0.0017173394 0.0002154444 -0.0059413463 -0.0020818688 0.0021419675 -0.0072080071 -0.0028547022 0.0021726882 -0.0056671240 -0.0019843934 -0.0024732704 -0.0050188270 -0.0061109485 0.0020556864 -0.0063538299 -0.0032568241 -0.0030214180 0.0006598692 0.0033820112 -0.0020279734 -0.0065178637 -0.0055328297 -0.0064507120 -0.0065597922 -0.0082509318 0.0001715843 0.0003638257 0.0031352079 -0.0020811896 0.0052667266 0.0031862914 -0.0042836391 -0.0024500218 0.0063266225 -0.0046403783 -0.0013748505 0.0032234416 -0.0013660730 0.0002147723 0.0003544565 0.0013928802 0.0008957319 -0.0000860833 0.0011747401 0.0004628340 0.0004677542 0.0011622741 -0.0003899997 0.0005800217 0.0006836538 -0.0008966274 0.0004395033 0.0006734417 0.0006977596 0.0006135087 -0.0000062672 0.0007935688 0.0022356054 0.0005911274 -0.0026975095 -0.0001634548 0.0034231564 -0.0034799943 -0.0024265891 0.0031153593 -0.0007176832 0.0005040381 0.0013526326 -0.0038789800 0.0018929764 0.0007215131 -0.0022186852 0.0014644667 -0.0039526888 -0.0087446676 0.0032755067 0.0004163366 0.0003249738 0.0013371100 -0.0009952486 -0.0003570662 -0.0013706719 -0.0045413275 0.0009337842 0.0026040225 0.0004246176 0.0040069747 0.0022487627 -0.0009247949 0.0081966983 0.0006133173 -0.0009571459 0.0041053339 0.0061097492 -0.0005080758 -0.0010279876 -0.0007963982 -0.0003813527 0.0091407664 -0.0022462831 -0.0195125398 -0.0224862019 -0.0134310331 0.0016331744 0.0052215217 0.0107421302 0.0183176506 0.0066897903 0.0065020203 0.0007424801 -0.0025708257 -0.0007201906 0.0024560601 -0.0020305050 -0.0017465220 0.0021868593 -0.0021926550 -0.0004710158 0.0002512341 0.0081032408 -0.0103579611 -0.0110735705 0.2335933957 -0.5148465987 -0.1364708376 0.3473007798 0.3885987249 0.0707996470 -0.5095102431 0.0219449213 0.0148748834 -0.0384082342 0.0714641570 0.0111470846 -0.0019171862 0.1390739298 0.0861866513 -0.1256182798 0.1198498817 -0.0339529520 0.0137452791 -0.0413392144 -0.0126463048 0.1341329561 -0.0833022689 0.0147603313 -0.0564520564 -0.1416493939 -0.0760531942 0.0114975959 -0.0119196623 -0.0025172188 0.0012582741 -0.0165916407 0.0119966852 0.0151183563 0.0059281556 -0.0155008313 0.0396516139 0.0056635226 -0.0221468121 0.0452709432 -0.0247282569 -0.0597312250 0.0320550326 0.0492638478 0.0359451328 0.0796624938 0.0477727609 -0.0621569099 0.0049043548 -0.0441347242 -0.0006242372 -0.0403656131 -0.0619226312 -0.0031997305 0.0069414981 -0.0162999825 -0.0167555880 0.0241685898 -0.0553973340 0.0478697779 0.0448070736 0.0043223232 0.1247727264 0.0423196245 -0.1532790964 0.0725896659 0.0018350204 -0.0100254373 -0.0307040081 -0.0074440830 0.0159599719 0.1359929428 -0.0023394185 0.1785817635 0.1533979524 -0.0075549019 -0.0484543121 0.2812895902 -0.0337071731 0.0051704911 0.0438396557 0.0004060061 0.0227024615 0.0107747012 -0.1105756772 -0.0211336115 0.0375968569 -0.0190675522 0.0258635532 -0.0113477594 -0.0327085989 0.0281361496 -0.0518666360 -0.0427501549 0.0148338454 0.0018889325 0.0149019917 0.0153509949 -0.0091420232 0.0419858722 -0.0034186655 0.0188455284 0.0173067540 0.0331127166 -0.0024736698 -0.0143884920 -0.0278465561 -0.0443469733 0.1984448832 -0.0669927221 -0.3873498194 -0.3580705117 -0.2778824311 -0.0036753006 0.0850548624 0.2243988211 0.2427696086 -0.0019670519 -0.0184101512 -0.0295341888 0.0156882568 -0.0189346450 0.0015215541 0.1013594895 -0.0440059725 -0.0075443652 -0.0042312595 -0.0159452957 -0.0174933510 0.0014563217 0.0266003407 -0.0785756082 -0.0260054476 0.0539740407 -0.1549276363 -0.0407185469 -0.0128439780 -0.0609337802 -0.0105566385 -0.0036161197 -0.0392846308 0.0874296651 0.0733235037 -0.0431785151 0.1036049311 0.0804523419 -0.0678571115 0.1219299973 0.0977243841 -0.0813437677 0.0776546061 0.0858126271 0.0103025994 0.0507559386 0.1051240025 -0.0086925742 0.0966159820 0.1123314005 0.0147847277 -0.0335290465 0.0212210885 -0.0008020288 -0.1360888724 -0.0778958794 0.0506216908 -0.0384580313 0.0508808355 -0.0279322176 -0.0651592917 -0.0294508258 0.0150290977 -0.2602383260 -0.1417001917 -0.0250584578 0.0542464317 -0.1565831000 0.1410043593 -0.0698633930 0.1122273674 -0.0577316057 0.0127585833 0.0618700077 0.0050633672 -0.0226244749 0.0056096010 -0.0452584782 0.0580167116 0.1205585960 -0.0477354116 0.0655814217 0.0307871872 0.0990903683 0.1493750265 0.1588935827 0.2468404298 0.1416253195 -0.1943605137 0.1358239815 -0.0089848866 0.0241527360 -0.0920336738 0.0279809840 0.0331880823 0.1077564148 -0.0016239194 0.1768947606 0.1209482475 0.0148707786 -0.0213630390 0.2366367196 0.0322598600 -0.0288460846 0.0695375675 0.0351003604 0.0020224674 0.1358710615 0.0304972520 -0.1230399687 0.0660864864 -0.0154092832 0.0177984889 -0.0127859973 -0.0175676631 0.0557019666 0.0007886553 -0.0533232212 -0.0264425165 -0.0389865536 -0.0558788962 -0.0139482271 -0.0168163285 -0.1035791320 -0.0131677267 0.0460098554 -0.0605844704 -0.0725706402 -0.0372423512 -0.0111196593 -0.0320973939 -0.0912897101 0.1498917689 -0.0686351611 -0.3044234873 -0.1745099585 -0.2167478229 -0.0602063112 0.0358961524 0.1689054049 0.0307304050 -0.0158436296 0.0152157177 -0.0891886431 0.0629687845 0.0139735274 -0.0328904907 0.0788730786 -0.0900100197 -0.0613663226 -0.0499507998 0.0289574175 -0.0481409038 -0.0129803762 -0.0278091320 0.0644922495 -0.0017426535 -0.0330048635 0.1112473436 0.0043792267 -0.0108740254 0.0583403881 0.0019824606 -0.0063700415 0.0355695546 -0.0617050669 -0.0656050102 0.0378765318 -0.0743236122 -0.0733622326 0.0502572034 -0.0837743648 -0.0874294817 0.0700364407 -0.0538963999 -0.0724062907 -0.0078497733 -0.0307254124 -0.0718826560 -0.0103568584 -0.0672309981 -0.0890209046 -0.0072833634 0.0155185006 -0.0356061177 -0.0022513117 0.1327123816 0.0959470532 -0.0204242437 0.0153675070 -0.0516224369 0.0113022877 -0.1595298281 -0.0784162297 0.0617118740 -0.4615955673 -0.1429732526 0.1256035923 0.0396352696 -0.4063656519 0.0542672934 -0.2960666869 -0.0118348387 0.0871277854 0.0513512405 0.2076489309 -0.0192211399 0.1155593752 0.1719747027 -0.0853368108 0.1002453276 0.2081976909 -0.0427394171 0.0939470299 0.1330584184 -0.0414687037 0.2146422543 0.1221749693 -0.1082551670 0.1797014369 0.1096701234 -0.0839568575 -0.0157726621 -0.0605464520 0.0271860104 0.0491207223 -0.0480443937 -0.0035112965 0.0783399353 -0.0834680048 -0.0053094136 0.0677291327 -0.0411605532 -0.0272661750 0.0394427080 -0.0004755005 -0.0188636809 0.0634985947 0.0115276405 -0.0391377718 0.0254559658 0.0208499434 -0.0189802025 0.0136360747 0.0017345793 -0.0004046379 0.0143992633 0.0215295357 0.0120179816 0.0057643217 -0.0039083475 -0.0001773582 -0.0051982915 -0.0062383670 -0.0003644765 -0.0207523940 -0.0009885090 0.0031182238 -0.0082009679 -0.0187717289 -0.0111839126 -0.0009758829 0.0043229033 0.0111141698 -0.0399122959 0.0108860459 0.0772189511 0.0593968122 0.0552521615 0.0026802173 -0.0183662762 -0.0439056258 -0.0384645999 0.0187589116 -0.0190129250 0.0253496683 0.0024621437 -0.0670799669 0.0316532974 0.0110158152 -0.0483312425 0.0362181304 -0.0681118228 -0.1097561146 -0.0046402821 0.0177818787 0.0240851712 -0.0498925276 0.0171941243 0.0169248964 -0.0719958162 0.0169234208 0.0224763166 -0.0510831655 0.0047976845 0.0121885518 -0.0332865747 0.0385746217 0.0478195637 -0.0313620704 0.0482004790 0.0553184533 -0.0371044649 0.0524295706 0.0628306255 -0.0533992066 0.0315946916 0.0509934141 0.0022030077 0.0020412868 0.0651530928 -0.0106305898 0.0442019536 0.0705292063 0.0188908966 -0.0200488992 0.0006738058 -0.0034166008 -0.0701632513 -0.0428269901 0.0253191056 -0.0433889517 -0.0073304748 -0.0169269879 -0.0437469739 0.0126879602 0.0279262504 -0.0463925065 0.0406492842 0.0613532841 -0.0411562156 -0.0102634418 -0.0071095170 -0.0583572585 -0.0258551105 0.0546050466 -0.0320793888 0.0329392011 0.0005689022 0.0174348203 0.0632388281 0.0164692139 -0.0572865849 -0.0084873124 0.0345541893 -0.0521912916 0.0399284021 -0.0734069264 -0.0916735188 -0.0562164026 -0.1947924352 -0.1058474721 0.2081593233 -0.1016116978 0.0272750245 -0.0096226238 0.0195028364 -0.0288298588 -0.0368864486 -0.0769242683 -0.1144219709 -0.1460707830 -0.0945328853 -0.0185618276 0.0165767200 -0.2016007087 0.0206217224 -0.0466826292 0.0909204859 -0.0122730812 -0.0085921591 0.2511603980 0.1722524202 -0.1544815792 0.0974046732 -0.0626546022 0.0228802180 -0.0016579438 -0.1156489389 0.1112419886 -0.1235149964 -0.1922822903 -0.0601974348 0.0252739927 0.0820002068 0.0678299723 0.0033688699 0.2136768730 0.0240690921 -0.0265502826 0.0993756795 0.1679571664 0.0676097125 -0.0146972045 -0.0254947009 -0.0345174728 0.1080608355 -0.0267067729 -0.3584348059 -0.3326797095 -0.2638612808 0.0044462656 0.0773316637 0.1305627846 0.2431316902 0.0508504614 -0.0655383697 0.0170734218 0.0120887998 0.0261182045 -0.0335490502 -0.0204674992 0.0554592435 -0.0241550566 0.0317928980 0.0163035006 0.0380253400 -0.0114334689 -0.0102330687 0.0162552464 -0.0178035105 -0.0017219239 0.0044626147 -0.0213897833 -0.0186752194 0.0223209191 -0.0113014346 -0.0129197398 0.0194899805 0.0009103154 -0.0096531085 0.0145742752 -0.0036080148 -0.0157086111 0.0106215149 0.0048133155 -0.0131577183 0.0182753692 -0.0006037773 -0.0034499104 0.0057323612 0.0037327813 -0.0033367830 0.0050043422 -0.0004997444 -0.0033717493 0.0042113950 0.0087114606 -0.0015739061 0.0006291471 0.0230398617 0.0061319443 -0.0131055522 0.0144352895 -0.0041891418 0.0085918770 -0.0441501561 0.0293432699 0.0326783943 -0.0310037750 0.0586806157 0.0606774202 -0.0541039365 0.0371431618 0.0160644749 -0.0321359226 -0.0099622245 0.0478459575 -0.0575440151 0.0145707096 0.0027910923 -0.0141204389 0.0501492593 0.0277949066 -0.0924600051 -0.0329623220 0.0447030681 -0.0808285886 0.0371573327 -0.0690958868 -0.1427165072 -0.0778639821 -0.2064464262 -0.1715764672 0.2469539606 -0.0900419176 0.0159684029 -0.0229275892 -0.0215423923 0.0075546740 0.0620584491 0.0836081637 -0.0139277478 0.2186020546 0.0978274426 0.0613251491 -0.0157486129 0.2373809314 0.0178232950 0.0280114594 0.0539980696 -0.0275119092 0.0005602792 0.0791100317 0.0187992188 -0.0253283930 0.0523413724 0.1267445649 0.0046323377 0.0262665868 0.2192338895 -0.1872683249 0.2183797629 0.3412948398 0.0860491181 -0.1195897666 -0.1065091152 -0.0100525204 0.0016799684 -0.2465102372 0.0159380762 0.1042760179 -0.1341026401 -0.1514980424 -0.1040598028 -0.0037182075 0.0053285632 -0.0918937530 0.0039367530 -0.0038687730 -0.0512492452 0.1629855079 -0.0258382945 -0.0848640176 -0.0526399879 0.0418275731 -0.2604187403 0.1158392426 -0.1316056406 -0.0329909930 -0.0620654346 -0.0560765271 -0.0479097890 -0.0145836782 -0.0719498025 -0.0536084440 0.0742791661 0.0633939799 0.0568398900 0.0278907045 0.0192543992 -0.0196579885 0.0443378426 0.0103029929 0.0470375956 0.0542679118 0.0367517224 -0.0490938722 0.0594141864 0.0338091285 -0.0415056187 -0.0303228667 0.0010699200 -0.0272880163 -0.0299434396 0.0030535083 -0.0204793832 -0.0313115205 -0.0008147751 -0.0244009388 -0.0245542108 -0.0042363665 0.0025951911 -0.0507884082 -0.0060252165 0.0089598890 -0.0311754474 -0.0044895747 0.0377471221 0.0098106448 -0.0022583458 0.0124277549 -0.0218978324 -0.0221066639 0.0230334607 -0.0369598095 -0.0534223411 0.0119510270 0.0484062251 -0.0161003058 -0.0264816599 0.0597306767 -0.0272399125 -0.0445102566 0.0408062709 0.0067492027 -0.0074169227 0.0624757688 0.0006772827 -0.0413975966 0.0341925224 -0.0261999713 -0.0095772996 0.0080043899 -0.0445503976 -0.0219151570 0.0587200085 -0.0012729791 -0.0339984829 0.0328349718 -0.0162364160 0.0440643865 0.0572645183 0.0385162146 0.1127994633 0.0676292204 -0.1165941017 0.0587419768 -0.0438507873 0.0093161298 0.0258260107 -0.0042806172 -0.0175938279 -0.0977631002 -0.0692186642 -0.2349087619 -0.1250878861 0.0466502022 0.0606598426 -0.2961106485 0.0686783285 -0.0137869995 0.0942741436 -0.0187296118 -0.0164269390 0.2681207432 0.2556615817 -0.1267594409 0.1035263503 0.0815155386 0.0142303864 0.0267382105 0.1229064747 -0.0781512446 0.1089059132 0.1681426083 0.0177214553 -0.0856671251 -0.0141549350 0.0498030681 0.0070341538 -0.0282737337 0.0399812877 0.0589017362 -0.0267639230 0.0132149755 -0.0347678719 -0.0069752793 -0.0064255677 -0.0912751937 0.0210800082 0.0025417134 -0.2142106795 -0.0127016704 -0.1500977256 -0.0662386436 -0.0062943073 0.0608166241 -0.1005614606 -0.0709060580 0.0909784731 0.0244514636 -0.0692836512 -0.0233676367 0.0225302047 -0.1204510130 0.0222120205 0.0354065216 -0.0318771032 -0.0187080491 -0.0149930208 0.0932363068 0.0644377599 -0.0730700543 0.1396721984 0.0539940628 0.1520612466 0.1684767233 0.1101436932 -0.1686234498 0.2142081000 0.1165937381 -0.1530623833 -0.0922347962 -0.0039887290 -0.0971193125 -0.0963601329 -0.0082767427 -0.0870796165 -0.0692456510 -0.0141862919 -0.0868823950 -0.0765459243 -0.0071529869 0.0266829585 -0.1704110279 -0.0100709156 0.0473108794 -0.0964158598 -0.0068045380 0.1343889521 0.0406103677 0.0008892085 0.0671465356 -0.0169667283 -0.0583008085 0.0774246817 0.0267608252 -0.0233504162 0.0728028088 0.0421023371 -0.0172429186 -0.0236014737 0.0399373785 -0.0234346086 -0.0297226433 0.0435341200 -0.0134856783 -0.0130642227 0.0486320475 -0.0085196663 -0.0310216515 0.0371017503 -0.0078244849 -0.0185482486 0.0346766859 -0.0197935936 -0.0314275574 0.0575621205 0.0063592383 -0.0357488408 0.0278423600 -0.0026861345 0.0102839011 0.0523979773 0.0116050727 0.0207063859 0.0509995285 -0.0379324169 0.0090798391 -0.0392679847 -0.0139543202 0.0398654447 -0.0362513254 0.0024901777 -0.0411142266 -0.0864235811 -0.1304164579 -0.0592235903 0.0255997677 0.0446415770 -0.1627837279 0.0074102760 0.0130290066 0.0824676908 -0.0668541477 -0.0167429071 0.1620586785 0.1114859197 -0.0451112088 0.0878934841 0.1076326376 0.0034649282 0.0409489174 0.1839381320 -0.1954885688 0.1776035009 0.3009910189 0.0684557840 -0.1055492024 -0.0399162009 0.0491914806 0.0147761236 -0.0777057964 0.0469570745 0.0735608363 -0.0575702544 -0.0084952145 -0.0468495510 -0.0062738983 0.0043147686 -0.0991567822 0.0087134675 0.0134604492 -0.1888581422 0.0553518024 -0.1272384192 -0.0755439596 -0.0252982789 0.0627513934 -0.1722985054 -0.0183989647 0.0406944072 0.0393889000 -0.0876504799 -0.0287717034 0.0180720140 -0.0859753113 0.0381424896 0.0365612523 -0.0355965602 -0.0506631909 0.0082342361 -0.1003633418 -0.0703509375 0.0878941876 -0.1558640274 -0.0531765324 -0.1669897035 -0.1903404300 -0.1275425087 0.1968556746 -0.2339759841 -0.1312032384 0.1808407706 0.1086703712 0.0078116256 0.1125553590 0.1124487076 0.0120253183 0.1020266458 0.0796336805 0.0199351288 0.1010224230 0.0839567132 0.0149339794 -0.0359154388 0.1937018716 -0.0179583650 -0.0197037099 0.1066045762 0.0044551483 -0.1909339246 -0.0320697509 0.0511464723 -0.0783560862 -0.0300644118 0.0439508157 -0.1136611947 -0.0603959843 0.0223252063 -0.0822104204 0.1087108017 -0.0554582384 -0.0645130768 0.0935962571 -0.0546883028 -0.0571709130 0.1202937581 -0.0742972943 -0.0662047936 0.1056636141 -0.0552259993 -0.0632953338 0.1106629361 0.0109934471 -0.0660449510 0.1728954964 0.0072976036 -0.0953176835 0.1477445010 0.0142336289 -0.0836897501 0.0531985298 0.0184818024 -0.0586571475 0.0973213923 -0.0037399270 -0.1139672490 0.1107850218 0.0345311369 -0.0944652692 -0.0008144525 -0.0154446543 0.0581263224 -0.1431653700 0.1554145780 0.0053569155 -0.2107709801 0.2878363462 0.0136641334 -0.2269522455 0.1281216598 0.0945675305 -0.1560690811 0.0238645842 0.0077670449 -0.2107054894 -0.0454389036 -0.0495586905 -0.1872658352 0.0642468256 0.0063975483 -0.0209859388 -0.0305308335 0.0271214015 0.0148055877 -0.1833139950 0.0596288982 0.1095745734 0.0461023529 -0.0104518206 -0.0203048855 0.0204537812 0.0210140076 0.0149750532 0.0162105918 -0.0114363740 -0.0138311696 0.0459914001 0.0428839943 0.0015263450 0.0119621591 -0.0226793381 0.0143910591 0.0122898236 -0.0616758201 0.0285588222 -0.0407595680 -0.0127937631 -0.0068446853 0.0442184552 -0.0562209921 0.1009438037 -0.1223730450 0.0663604858 0.0775510542 0.2414283956 -0.0646051562 0.0099759247 0.2868342955 -0.0445359875 -0.1491278812 -0.1809432978 0.0259386942 0.0183006795 0.0083753589 -0.0027077466 0.0340297640 0.0089683399 0.0831076889 0.0438848049 0.0248379739 -0.0341319662 0.0662336916 0.0322704931 -0.0389933324 -0.0499372702 -0.0252736271 -0.0202463327 -0.0582035364 -0.0349810586 -0.0193598539 -0.0370494886 -0.0367491023 -0.0067885296 -0.0342259820 -0.0218259641 0.0232920396 -0.0468001099 -0.0401812753 0.0498023510 -0.0538859819 -0.0365872903 0.0519444800 0.0362047841 0.0220327319 0.0440636535 0.0431271068 -0.0077800231 0.0205800731 0.1782095264 0.1495730998 0.0686326448 0.0574887199 -0.0176167438 -0.0295073379 0.0755257398 -0.0133412087 -0.0327903589 0.0454913193 0.0111216311 -0.0146999707 0.0838659640 -0.0202236089 -0.0398013649 0.0343205081 -0.0121878947 -0.0273308799 0.0593728846 -0.0137427902 -0.0398004495 0.0644287924 -0.0092120000 -0.0421020823 -0.0129768092 0.0356204669 0.0042587303 -0.0166861296 0.0113616048 -0.0285807660 -0.0190244238 0.0698053421 -0.0036839548 -0.0610075730 -0.0087380947 0.0253881974 0.0363425676 0.1157785290 0.0013429761 0.0372048381 0.2250345346 0.0135398860 0.0652726519 0.0517750235 0.1359868937 0.1034227078 0.0059981130 0.0384115029 0.0113395095 0.0700268228 0.3916704936 0.2999925670 -0.3007708708 0.0407946862 -0.0082133121 0.0719450640 -0.1011902785 -0.0760974288 0.2935235054 -0.1964403914 -0.2276693391 -0.0225313264 0.0223607476 0.0092319828 -0.1185632378 -0.0800747905 -0.1302207254 -0.0939441728 0.0265591907 -0.0031465099 -0.2221274356 -0.1296722716 0.0114632245 -0.0393915669 0.0718818662 0.0438404863 -0.0806524015 0.2391258729 -0.0850744651 0.1691156546 0.0336789804 0.0425940430 -0.0724632936 0.1799247101 0.0201041988 -0.0113861693 0.0175499420 -0.1037855311 -0.0188189382 -0.0187468620 -0.1306426773 0.0299820922 -0.0049441714 -0.0482912249 -0.0161859792 0.0421772302 -0.0056489416 -0.0050610294 0.0134784825 -0.0068767337 -0.0052363458 0.0079457094 -0.0079151845 -0.0060360995 0.0182646590 -0.0106625401 -0.0064880095 0.0163288388 -0.0026927496 -0.0036441195 0.0088638752 -0.0011176893 0.0002369101 0.0135569024 -0.0153108072 -0.0028854038 0.0104654540 -0.0018710148 -0.0049225841 -0.0067522474 0.0106637001 -0.0408541789 0.0316812521 -0.0020241547 -0.0153370328 -0.0406002781 0.0155877376 0.0452740940 -0.0028806678 -0.0315593493 -0.0074870056 -0.0211068241 -0.0121667594 0.0064679059 0.0030046723 -0.0405433441 0.0168242505 0.0232752783 -0.0626029781 0.0131414090 0.0294555393 -0.0255180848 -0.0147395636 0.0098875449 -0.0638814225 0.0168164192 0.0337392225 -0.0219744837 0.0115188648 0.0166682974 -0.0454112178 0.0090271836 0.0246283185 -0.0396343485 0.0005375472 0.0283417076 0.0202056423 -0.0352297267 -0.0069977915 0.0460287308 -0.0078606708 0.0243676537 0.0476998593 -0.0868763433 -0.0059347311 0.0385270767 0.0232396843 -0.0216364067 0.0287692556 -0.0352631371 0.0211326640 0.0311719332 -0.0647025304 0.0163557469 0.0012208289 -0.0110236184 -0.0198529645 0.0160049193 -0.0056014559 -0.0092491737 0.0469537355 0.0035030312 -0.0564407105 -0.0250993273 0.0277274620 -0.0104735632 -0.0011562378 -0.0003127242 0.0039193875 -0.0043782855 0.0150688652 0.0031074483 -0.0068703812 -0.0045398326 0.0037301256 0.0004155508 0.0057073987 0.0040147864 0.0045626016 0.0054129368 -0.0017711599 0.0023665601 0.0075027808 0.0087807259 -0.0021144687 0.0023139805 -0.0014245474 -0.0075167921 0.0055341112 -0.0063221934 0.0023586668 -0.0037638346 -0.0005870695 -0.0039183679 -0.0008199107 -0.0058327801 -0.0062087977 -0.0209978313 -0.0340666826 0.0380708001 -0.0076148814 0.0032634397 0.2157168998 0.0781194531 0.0199946424 0.0308610991 -0.0139653408 -0.0438587606 -0.0132565175 -0.0216957218 0.0609270667 -0.0060743498 -0.0074581661 0.1435378648 -0.0024317152 -0.0124238068 0.0570500263 0.0307445888 0.0087084534 0.0186731528 -0.0705333815 -0.0630023345 0.0097989813 -0.0946234614 -0.0880547156 0.0155053839 -0.0711734921 -0.0845020479 0.0404987256 -0.0369196401 -0.0425422389 0.0077198096 0.0931528266 -0.2834910398 0.2738006023 -0.0997943715 -0.1770696529 -0.2152155293 0.1475147895 0.3330804269 0.0767834446 -0.1225368505 -0.0905004663 -0.0995006118 0.3639282356 0.4872598111 0.1460480819 0.0829350648 -0.0286546612 -0.0447728395 0.1350579125 -0.0203056553 -0.0591812584 0.0490913864 0.0465780173 -0.0116388621 0.1421622587 -0.0298364428 -0.0703484079 0.0380401290 -0.0165525116 -0.0329873684 0.1027096231 -0.0194446720 -0.0641755910 0.1081821421 -0.0014863839 -0.0716220425 -0.0734004074 0.1124119432 0.0416174690 -0.1159136936 0.0667590988 -0.0075952463 -0.0991932835 0.1881320563 0.0316289353 -0.0749031970 0.0070552212 -0.0087311472 0.1099277228 0.0052168441 -0.0079296106 0.2581394237 0.2151236865 0.0283931237 0.0033524869 -0.0782539155 0.2296304794 0.1269145100 -0.1131075130 -0.1153097608 0.1152672606 -0.1760179000 -0.2535887937 0.1046638436 0.0933773339 -0.1086003723 -0.0492705676 -0.1198159367 0.0840948070 -0.0700550818 0.0803769348 0.1203007560 -0.1630223657 -0.2316582826 0.0374087597 -0.0207521252 0.0840791476 0.0921491316 0.1701805736 0.0626418633 -0.0987105131 0.0117885313 0.2520230710 0.2054439702 -0.0138902664 0.0318367488 -0.0343497243 -0.0272481233 0.0640683737 -0.1997939974 0.0698686718 -0.1722149101 0.0029813597 -0.0425815106 0.0806262659 -0.1351005039 0.0211543112 -0.0167966201 -0.0203256211 -0.0337821375 -0.0432420159 0.0001653354 -0.0651664190 -0.0777551637 -0.0108330005 -0.1152169071 0.0432738371 0.0730126707 -0.0006390346 -0.0003992632 0.0035029479 -0.0000907908 -0.0000182323 0.0086747527 0.0004104321 0.0010970874 0.0049976628 0.0006632027 0.0018292724 0.0008640503 -0.0025675184 -0.0025129001 0.0004668274 0.0003814320 0.0021566128 0.0033508192 -0.0099558190 -0.0005164705 -0.0004816077 -0.0002941093 -0.0041670335 -0.0000749201 0.0131284071 -0.0382083066 0.0362926571 -0.0004781350 -0.0141868704 -0.0333489278 0.0087358786 0.0327183639 0.0053077337 -0.0211765986 -0.0034236671 -0.0146886109 -0.0180173803 -0.0042971037 0.0126323906 0.0736615953 -0.0279871864 -0.0414063060 0.1358406825 -0.0202283863 -0.0613179374 0.0339543759 0.0547043050 -0.0114721490 0.1303316487 -0.0263540742 -0.0673097349 0.0316114171 -0.0144124954 -0.0250346984 0.1127236909 -0.0122698541 -0.0565552916 0.0978782070 -0.0009984381 -0.0609941595 -0.0848122070 0.1210566934 0.0405150538 -0.1371173284 0.1078483261 0.0396152302 -0.0895512035 0.1499193429 0.0369169366 -0.0309304736 0.0363626261 -0.0430841277 -0.0020787399 -0.1626913126 0.0698725090 -0.0779447698 -0.5549438385 0.0159254421 0.0614738659 0.0073024783 -0.3411979270 -0.0422027984 0.0525439431 0.0690073911 0.1033918991 0.1140321522 -0.0803365036 -0.2246532623 0.0857471586 0.0572759925 0.0392705017 0.0689336944 -0.0359892813 0.0413140853 -0.0270934461 -0.0801755031 0.0772479779 0.1105756283 -0.0103236506 0.0208835912 -0.0308903192 -0.0521316675 -0.1069900667 -0.0136739682 0.0666494786 -0.0067392497 -0.1519041054 -0.1456233243 0.0028505288 -0.0108038239 0.0110578373 -0.0164531519 -0.0152406553 0.0919033299 -0.0358428419 0.0927292736 -0.0077864947 0.0165178718 -0.0645249089 0.0630439530 0.0469463984 -0.0708647781 -0.0516905068 0.0844103929 -0.0103710742 0.0749233091 0.1901368748 -0.1547060207 0.0316868022 -0.1430933655 0.0675847733 0.0274309989 0.0050168419 0.0046920154 -0.0112853643 0.0042124442 0.0108450558 -0.0003617958 0.0048532715 0.0043013785 -0.0120871140 0.0153708144 0.0101806632 -0.0196843448 0.0063661965 -0.0016426886 -0.0060138256 -0.0001503552 -0.0145264000 -0.0211776665 0.0366432938 -0.0035021386 -0.0089242380 0.0029129871 0.0007184742 0.0212700155 0.0539557150 -0.0306917743 0.0505339753 -0.0135834427 -0.0326768729 -0.0400668445 -0.0207523072 0.0049305225 0.0265857132 0.0048946255 0.0024702860 -0.0162186915 0.0149615871 0.0255671687 0.0439807272 -0.0126987109 0.0058728988 0.0064392872 -0.0150238997 0.0032856377 0.0045324745 -0.0112950156 -0.0010558802 -0.0005452230 -0.0238344946 0.0083833673 0.0099557161 -0.0041124157 0.0019252795 0.0058326504 -0.0051518232 0.0028658779 0.0096301006 -0.0220676334 0.0019386819 0.0128073505 0.0135520159 -0.0179065404 -0.0113629620 0.0166266487 -0.0003830900 0.0117471034 0.0189305229 -0.0427078749 -0.0050836724 -0.0072132360 -0.0171522162 -0.0000944062 -0.0068252042 0.0259012915 -0.0080954850 0.0091873183 0.0589281668 -0.0024640006 -0.0135882670 0.0124593504 0.0256595209 0.0012656693 -0.0025130122 -0.0056525257 -0.0209158905 -0.0119574148 0.0190273804 0.0251061674 -0.0125383409 -0.0041955730 -0.0033452745 -0.0054836053 0.0022966403 -0.0032290144 0.0017754967 0.0058170887 -0.0092786056 -0.0107962603 0.0014303537 -0.0020990421 0.0016771561 0.0042390060 0.0115222516 -0.0007505168 -0.0059261772 -0.0008932001 0.0161057022 0.0101752269 0.0003892030 0.0002115782 -0.0002847259 0.0044694144 -0.0007698371 -0.0061391423 0.0045060620 -0.0080882262 0.0014044697 -0.0007123516 0.0063215639 -0.0053039007 0.0045039504 -0.0018744505 0.0107520351 -0.0013220553 0.0163068842 0.0099347447 -0.2267007516 -0.1341804842 -0.0209640654 0.0178107196 0.0052107129 -0.0211679993 0.0359731586 0.0400262194 -0.0848858660 0.0408453359 0.0643018135 -0.0007087220 0.0535938288 0.0611108117 -0.0814515712 0.0903077143 0.0893478292 -0.1543010070 0.0479252736 -0.0029595857 -0.0376581153 0.0810935615 0.0145579963 -0.0959043262 0.1427554895 0.0315986869 -0.0965329490 0.0458945991 -0.0540243011 0.1644520633 0.3404298377 -0.3024928218 0.4037149762 -0.0376189136 -0.2644411667 -0.2986008800 -0.1859646233 -0.0089024103 0.1638400489 0.0192776415 0.0453981720 -0.1490308405 -0.1735182116 -0.1536113581 0.3042245307 -0.0170592997 0.0073915722 0.0110711730 -0.0100323540 0.0349829159 0.0400559911 -0.0225268879 0.0103780094 0.0026602156 -0.0068871947 -0.0277589278 0.0255039538 -0.0134838424 -0.0112648924 0.0019903578 0.0776238234 0.1216404093 0.1237006534 -0.0573808730 -0.1901345711 0.1204904023 0.0078267886 -0.0208340348 -0.0684128803 0.1068412971 0.2481567705 0.2750515990 0.1213216125 -0.4430480139 0.0264135650 -0.0394452261 0.0662015874 0.0465523437 0.0071735590 0.0693234890 0.0184572661 0.1144241599 -0.1712195912 -0.0033787663 -0.0569512172 0.1687600427 -0.1768777797 0.0411618495 -0.0173119741 -0.0182920105 -0.0349896023 -0.0763558498 -0.0072187026 0.0610624778 -0.0053520883 -0.0156799527 0.0030192057 -0.0335789256 0.0106116726 -0.0247701371 0.0937364448 -0.0109587727 -0.1018611281 -0.1049947121 0.0229367463 -0.0038554947 0.0053285434 0.0077399848 0.0140860940 0.0088997536 -0.0302929276 -0.0015327395 0.0220041353 0.0133098624 -0.0059860174 0.0078621515 -0.0051027428 -0.0106976843 0.0139124404 -0.0302573362 0.0099386977 -0.0251427011 0.0009370905 -0.0117889078 0.0112612112 -0.0246563085 0.0932422714 -0.1537910157 0.0495166288 -0.0780535816 0.0388861649 0.1884055272 -0.3593636739 -0.1697984095 0.1449119267 -0.0256380572 0.0847944403 -0.2101180333 0.0004802756 0.0003090449 0.0009182378 -0.0089377123 0.0032669416 -0.0433705022 -0.0152885895 -0.0098631997 0.0189137204 -0.0241487994 -0.0087491882 0.0151942617 0.0136845938 0.0064015547 0.0047203098 0.0200478595 0.0228180948 0.0301783870 -0.0297105883 0.0120595816 0.0052646482 -0.0043578180 0.0048369137 -0.0374086676 -0.0564959457 0.0628515978 -0.0952256734 0.0370905257 0.0717170934 0.0263684217 0.0004651406 -0.0137311811 -0.0045534700 0.0090097929 -0.0006954553 0.0160932829 0.1079268758 0.1244268244 -0.0262915108 0.0035690038 -0.0034469053 -0.0031524820 0.0120946145 0.0058028806 0.0035123326 -0.0024919272 0.0119962078 0.0071536172 0.0230398161 -0.0119874630 -0.0070705543 -0.0015033544 0.0000276756 -0.0032344005 0.0270378573 0.0223894257 0.0112634615 0.0126608066 -0.0271537491 0.0057044717 -0.0145001058 0.0188608794 0.0041363747 -0.0067211514 0.0409225006 0.0309748556 -0.0128397719 -0.0130903578 0.0160134526 0.0305421730 0.0126188396 -0.0008539625 0.0354904946 -0.0205590175 -0.0249237751 0.1564172449 0.0668218967 -0.0055401397 0.0296993316 -0.0612475676 0.0692984003 -0.0443773282 0.0420745550 -0.0333005005 -0.0443296608 0.1756175456 0.3068666993 0.2014230417 -0.2057742952 -0.0248954091 -0.0763792665 0.0176865422 -0.0283735031 0.0547530344 -0.3099305625 0.2120841211 0.2813589134 0.2282370748 -0.1305998754 -0.0456921318 -0.0288797199 0.0021785492 0.3565076328 -0.1527412552 -0.1184013165 0.0037895652 0.3177248668 0.1803475437 0.0069899466 -0.0314285682 0.0147988367 0.2151496347 -0.1422767882 0.1321343861 0.0367473407 0.0818073693 -0.0046426808 0.0090632559 0.1775635828 -0.0140704711 -0.0040956485 -0.0115824584 0.0025631230 0.0256974026 -0.0219007393 0.0273954822 -0.0081163711 -0.0624319115 0.0173466499 -0.0202170623 0.0112463597 -0.0105536557 0.0001320867 -0.0004600283 -0.0003288803 -0.0018490012 0.0032692644 -0.0009745354 -0.0018435298 0.0015889945 0.0107664758 -0.0032842663 0.0061521103 -0.0080890511 0.0010938026 -0.0024878357 -0.0005384991 0.0081278180 0.0111887203 0.0150076870 -0.0188751704 0.0065417894 -0.0082195254 0.0000728843 -0.0014148330 -0.0043754144 -0.0090124807 0.0054697462 -0.0097993885 0.0117247762 0.0131874666 -0.0014117569 -0.0021160988 0.0020681646 0.0040363137 -0.0002571884 -0.0006790936 -0.0004480137 0.0239316136 0.0317498710 0.0032609290 0.0053063667 0.0011150746 0.0176311241 0.0858651980 -0.1676556505 -0.2165127744 -0.0355372775 0.0026398440 -0.1037826125 -0.2214607151 0.2154198828 0.0031787986 0.0313048858 -0.0107176591 0.0637040383 -0.1577792925 -0.3799291658 -0.2953972045 -0.0955488475 0.4802392582 -0.1525596230 0.0164879509 -0.0188211796 0.0163599567 -0.2076927816 -0.1670980172 -0.1016852406 0.0869740233 0.2235576336 -0.1195321735 0.0131239047 0.0201799456 -0.0055967125 0.0016777806 0.0219737425 0.0040034827 0.0219152922 -0.0368298541 -0.0015905649 -0.0084246199 0.0470651187 -0.0482628705 0.0007512477 0.0037364238 -0.0007156929 -0.0192482049 -0.0070173160 0.0149564892 0.0115169875 -0.0042116897 0.0000433719 -0.0039006050 -0.0086621424 0.0014352518 -0.0033368710 -0.0011824735 0.0070532096 -0.0078226540 -0.0124758252 0.0000015432 -0.0034854550 -0.0036374374 -0.0017243621 0.0300839401 -0.0117825891 -0.0196534044 -0.0002950876 0.0269055267 0.0104308268 -0.0016879844 0.0002671873 -0.0012215093 0.0145237792 -0.0079914977 0.0054475536 0.0025103884 0.0064154984 -0.0022648706 -0.0023442016 0.0172889608 -0.0063902516 0.0019190444 -0.0219530897 -0.0047431267 -0.0083615995 0.0046290589 0.0398418085 -0.1805999004 -0.1432541876 0.0072947879 -0.0026395373 0.0026541361 -0.0262343439 -0.0013422415 0.0036316429 0.0021408320 0.0065259947 -0.0217101045 -0.0228527803 0.0023339967 -0.0181207188 -0.0656891987 0.0076635934 -0.0485740589 0.0651724170 -0.0040375912 0.0170267573 0.0053943831 -0.0525589507 -0.0712885967 -0.0855850337 0.1016206098 -0.0482837729 0.0674674423 -0.0095486068 0.0134620893 -0.0173140451 0.0690027181 0.0095823446 -0.0269648373 -0.0406001533 -0.0299012192 -0.0417630329 0.0023189744 -0.0038710107 -0.0004032160 0.0051509646 -0.0053566549 0.0095291282 0.0627109732 0.0595011190 -0.0010733290 0.0016580853 -0.0003439007 0.0041889836 0.0205021250 -0.0407961145 -0.0515487308 -0.0081411473 0.0004133782 -0.0240724835 -0.0511120074 0.0506483918 0.0001417475 0.0073845269 -0.0024842006 0.0147688021 -0.0434601605 -0.0915037227 -0.0695773203 -0.0207750481 0.1197631384 -0.0408316114 0.0052546357 -0.0053514836 0.0057336004 -0.0552827161 -0.0488572476 -0.0310517608 0.0176330170 0.0658661684 -0.0290901850 -0.0094592972 -0.0083688402 -0.0030523834 -0.0005007704 0.0014337409 0.0008378415 -0.0014509618 -0.0113797542 -0.0008566698 -0.0038232849 0.0096339634 -0.0176280109 -0.0018768829 0.0003589932 0.0037940384 -0.0020315943 -0.0037562489 -0.0061595432 -0.0094973736 0.0076410608 0.0036241605 0.0008236649 -0.0010736504 0.0011037520 -0.0019422307 0.0016898557 -0.0061685330 -0.0059954853 -0.0051581792 0.0031631160 0.0013861400 -0.0000812987 -0.0014024585 -0.0073827677 0.0025957623 0.0012830485 -0.0002276936 -0.0071233964 -0.0064047036 -0.0000824720 0.0007116531 -0.0007825493 -0.0041674855 0.0026435910 -0.0017142638 -0.0023010142 0.0003684111 -0.0007494033 0.0003839842 -0.0041807291 0.0014796409 0.0024128117 0.0001350206 -0.0058846449 0.0072773013 0.0051123254 0.0053105639 -0.0462675959 -0.0400612060 -0.0043328798 0.0027671991 0.0020000751 -0.0020761414 0.0089375795 -0.0145406328 -0.0076990768 -0.0378649658 0.0958478095 0.0320109641 -0.0308265434 0.0545603339 0.2869662648 -0.0561371117 0.1802454528 -0.2387647769 0.0318241097 -0.0643073486 -0.0167936213 0.2232214684 0.2919007730 0.3604095962 -0.4207982485 0.1945872675 -0.2563745344 0.0176583297 -0.0387379783 0.0117340754 -0.2937188139 0.0357619750 -0.0143090248 0.1938893338 0.2094061220 0.1470069035 -0.0152866593 0.0179761333 0.0188213195 -0.0071530946 0.0094308705 -0.0235565605 0.0240333612 0.0518201582 0.0284041213 0.0097857621 -0.0061812686 -0.0065995838 0.0129581782 -0.0001166695 -0.0014465525 0.0082897848 0.0001577164 -0.0004368550 0.0214775732 -0.0114647270 -0.0087261281 0.0028150617 0.0087186085 -0.0034599616 0.0449746110 0.0231823283 -0.0054785039 0.0250784480 -0.0114834956 -0.0016201035 -0.0238493766 0.0191233003 0.0047367647 -0.0084757471 0.0387741532 0.0226020731 -0.0017493745 -0.0137767614 0.0033648356 0.2782857778 0.1969869976 0.0056360302 -0.0611693951 -0.0830061019 -0.0311059307 0.0454176620 0.2185064296 0.0146093438 -0.1549621151 -0.1947466301 0.2722943019 -0.0091812069 -0.0594691903 -0.0861313148 -0.0133268372 0.0124742790 0.1103301177 0.1245063406 -0.2203420376 -0.0838511176 0.0335166906 0.0896927619 -0.0531156258 0.0418710300 0.0516642605 -0.0487415808 0.0711273550 0.1111122156 -0.0689871978 0.0179663796 0.0766145085 0.0765327577 -0.3315766986 0.1717380549 0.2307370375 -0.0044706445 -0.2558808627 -0.0066582368 0.0347809611 -0.0128981834 0.0425335821 -0.1744196551 0.1066509042 -0.1261650299 0.0368145820 -0.2199889732 0.0806175006 0.0247235078 -0.2101139944 0.0435869253 -0.0757108356 -0.0576654450 0.0304381758 -0.0462974604 -0.0395929808 -0.0048932569 -0.2024024595 -0.1898052539 -0.0437210719 -0.0694109035 -0.0348426131 -0.0051481565 0.0009970082 -0.0022652627 -0.0026373762 -0.0051011258 0.0113354001 0.0012631294 -0.0044781023 0.0043274982 0.0305958417 -0.0050326837 0.0200263744 -0.0294740139 0.0030590642 -0.0075881941 -0.0015247523 0.0145324405 0.0181491260 0.0335692444 -0.0323638014 0.0149892383 -0.0237894880 0.0001147103 -0.0059797408 -0.0093001383 0.0070529752 0.0245025451 -0.0426086106 0.0089750173 0.0064517509 -0.0054787609 -0.0094136761 -0.0053735288 0.0113813345 0.0013800062 -0.0019042597 -0.0038843472 -0.0235174504 -0.0175859613 0.0038599632 -0.0008136232 -0.0002778416 -0.0098163911 -0.0401994837 0.0524504048 0.0699610846 0.0218859285 -0.0149512806 0.0322580496 0.0698095316 -0.0695216268 -0.0042059013 -0.0047998598 0.0084608567 -0.0186466383 0.0154736326 0.0956833867 0.0759244632 0.0369338469 -0.0982162968 0.0219898538 0.0044196897 -0.0044477065 0.0087337083 0.0351945490 -0.0302680406 -0.0420621552 -0.0503772823 0.0376882297 0.0256205374 -0.0450101793 -0.0648131939 -0.0294559150 -0.0117064711 -0.0138846640 -0.0060032398 -0.0240910535 0.0479240314 0.0008082812 -0.0388890716 -0.0257059878 0.0278730517 -0.0150591425 -0.0040331716 0.0013592989 0.0003050974 0.0086213494 0.0042627117 -0.0253845002 -0.0094438503 0.0007257409 0.0022106569 0.0177465688 -0.0082367545 0.0075158729 -0.0235086774 -0.0140963623 0.0181410304 0.0250245743 -0.0146237128 0.0041083591 0.0100921874 0.0064484416 -0.0513415520 0.0229990922 0.0388335812 -0.0042106099 -0.0374283519 -0.0176080719 0.0070226819 -0.0041096167 0.0064481293 -0.0205985255 0.0105408266 -0.0103665138 0.0029473334 -0.0253075129 0.0105521480 0.0076498986 -0.0344867203 0.0126301280 -0.0096265674 0.0303385173 -0.0228238837 0.0672581173 0.0270892193 0.0091913971 -0.6718355440 -0.5147853994 -0.1048626592 0.0230510362 -0.0054024279 0.0498775573 0.0052981015 0.0045140045 -0.0002482946 -0.0089921580 0.0055738640 -0.0781808935 -0.0222421269 -0.0240013750 0.0021925352 -0.0257954671 -0.0267315308 0.0415523702 0.0125966466 0.0095755378 0.0061194814 -0.0126101465 -0.0197091471 0.0050109727 0.0109763080 -0.0152135634 0.0378548785 -0.0161001610 0.0081791620 -0.0480388192 -0.0042135179 0.0346968643 -0.0786402060 0.0043511052 0.0367676518 -0.0478644751 -0.0000673244 0.0108657067 0.0265293329 0.0119022443 -0.0098170536 0.0131885244 0.2562255399 0.2923362837 0.0280009951 -0.0034933620 -0.0014379997 0.0136640042 0.0633848414 -0.0638984721 -0.0901547614 -0.0441908116 0.0398938336 -0.0313372471 -0.0771160808 0.0850013946 -0.0000811968 0.0026682307 -0.0172901324 0.0239138379 -0.0151157404 -0.1096710264 -0.0761022485 -0.0685849397 0.1106624675 -0.0156464723 0.0000179687 0.0128648200 -0.0126932425 -0.0469929040 0.0578735467 0.0718313021 0.0351878370 -0.0464622961 -0.0090971827 -0.1917007175 -0.1459864518 0.0335263082 -0.0439262733 -0.1029142974 -0.0259723300 0.0830883409 0.1512670239 0.0129163934 -0.1520204836 -0.2016587270 0.2347675679 -0.0188969881 -0.0602465533 -0.0987814507 -0.0020577160 0.0526380876 0.1554639957 0.1434123636 -0.2879491534 -0.0980032546 0.0148392017 0.1030048507 -0.0719629427 0.0605725774 -0.0350583927 -0.0052176507 0.1439446592 0.1768173724 -0.1153573448 0.0021362036 0.0800774512 0.0860156196 -0.2367191710 0.1387503095 0.2160334187 -0.0199650656 -0.1518831787 0.0117937248 0.0417643245 -0.0286703887 0.0572397537 -0.1070844317 0.0607252377 -0.0935156371 0.0770280212 -0.2311773545 0.0954764915 0.0266611905 -0.1636536488 0.0291549520 0.0714807089 0.0252646694 0.0299391276 0.0541083593 0.0393589620 0.0017749059 0.2200065113 0.2827981639 0.0642938113 0.0178174338 0.0654574299 -0.0666674817 -0.0004792762 0.0030809542 0.0005533869 0.0067005440 -0.0114825531 -0.0009974905 0.0067400429 -0.0018469750 -0.0332072117 0.0064233594 -0.0173440858 0.0247161825 -0.0016479685 0.0063464988 0.0018767746 -0.0038405390 -0.0091789789 -0.0334383718 0.0269085563 -0.0130776720 0.0214019348 0.0033848162 -0.0024619490 0.0160222723 -0.0124930374 -0.0179808296 0.0342545387 -0.0093489698 -0.0114212834 0.0409581904 0.0015187527 0.0007662593 -0.0127320597 0.0055642857 0.0044172997 0.0020946745 0.0533995480 0.0589059118 -0.0094233579 0.0027149053 0.0034717377 -0.0012152041 -0.0228136046 0.0030607759 0.0102905845 0.0199823909 -0.0303491692 -0.0120578577 -0.0145532461 -0.0035664951 0.0100477025 0.0029620040 0.0044181955 -0.0010325542 -0.0146723021 0.0060764109 0.0081428763 -0.0091151032 0.0011400964 0.0061633132 0.0075840453 -0.0192921487 -0.0062108151 0.0093788251 -0.0254818298 -0.0153176059 0.0057698615 -0.0104067561 -0.0088776072 -0.0014231877 0.0167124318 0.0008737711 -0.0867194079 -0.0486399690 0.0388413836 -0.1896811691 -0.0626115619 0.0294399700 -0.1298503340 -0.0133919221 -0.0216788669 0.0707853157 -0.0554568041 -0.0195717073 0.1341108287 -0.0659296240 -0.1781810559 -0.1541108695 -0.0303449338 -0.0371595626 0.0948894699 0.0833742765 -0.0543125254 0.0499999413 0.3271454740 -0.0711830496 -0.0989296803 -0.0395870020 -0.0175043040 -0.0581477526 0.0034924134 0.0374194854 0.3107835474 -0.1636533078 0.1233728261 -0.0881830863 0.3511227821 -0.0588033513 -0.0330554187 -0.0400638414 0.0401617043 0.3210340548 -0.2112518039 0.1306657495 0.2314687028 0.0100274401 0.0356395637 -0.0866265099 0.3620309398 -0.2078595871 -0.0008928225 -0.0016061153 0.0040159178 -0.0269778624 0.0330447126 -0.0269844019 -0.0584101587 0.0139855620 -0.0307573516 0.0039187421 -0.0081641842 0.0087465016 0.0013406706 -0.0000909628 -0.0009808971 -0.0014374651 0.0037653794 -0.0060837463 -0.0021936043 -0.0008029164 0.0070441175 -0.0022366238 0.0026379453 -0.0039109754 0.0023700095 -0.0001386324 0.0005437801 0.0019448829 0.0013523887 0.0060322632 -0.0002264359 0.0028790750 -0.0027946583 -0.0003785229 -0.0021638761 0.0024391441 -0.0040751167 0.0043295500 -0.0043912938 -0.0074347433 -0.0056428243 0.0174658167 0.0005040311 -0.0021404049 -0.0022038712 0.0022557364 0.0007251709 0.0001579262 -0.0033206302 -0.0034934544 -0.0052829902 0.0012417243 -0.0152871285 0.0217666581 0.1396731849 -0.0980316215 -0.1400364182 -0.0868406254 0.0970955840 -0.0345856580 -0.0753225972 0.1140391668 -0.0135419028 -0.0031535730 -0.0158664821 0.0178621298 0.1280781106 -0.0613863471 -0.0890205514 -0.1025576785 0.0510170896 0.0256051795 -0.0294389168 0.0532548719 -0.0293830275 0.0347644947 0.1938861200 0.1409540803 -0.0003466352 -0.1581863574 0.0363875621 0.0318880381 -0.0351764556 0.0579344008 -0.0227463648 -0.1218327884 -0.0467476495 -0.1347180192 0.3192296391 0.0012689676 0.0269957302 -0.2988825033 0.3393464451 0.0381279170 0.0183116812 0.0621360998 0.1858293621 0.0634724670 -0.1343980616 -0.0053468702 0.2552043682 0.0687157576 0.0083904143 0.0114930556 0.0864421131 0.0046383714 0.0026503251 0.0691521027 0.0075334773 0.0316538635 0.1301747937 0.0324995813 -0.0626838297 -0.0676428753 0.0724767465 -0.0920855812 -0.0223629042 0.0422388198 -0.0252732037 -0.0433332373 -0.0310427103 0.0288984008 -0.0688959635 0.0217721889 -0.0206041622 0.1022357170 -0.1546146445 0.2786090306 -0.1165879711 0.0083886396 0.0518332259 0.0579347626 -0.0013593846 0.0060960181 0.0946873172 0.0084708530 0.0045718269 -0.1041135154 -0.2433346307 0.0477172254 -0.0852022279 -0.0254071573 0.0384723167 -0.0632113577 0.0012781443 0.0005988272 0.0014398435 -0.0009882509 0.0010955874 -0.0107073966 -0.0036235838 -0.0044895363 0.0019217038 -0.0043396808 -0.0043116942 0.0080204296 0.0005178022 0.0006499924 -0.0001093053 -0.0015305489 -0.0015940237 0.0008555691 -0.0010717258 -0.0030397634 0.0051321465 -0.0005079808 -0.0000220708 -0.0026230850 -0.0101078765 -0.0051512248 0.0040285778 -0.0039463173 -0.0000320837 0.0098545946 0.0034111564 0.0087924911 0.0004075947 0.0038272069 -0.0018087122 0.0023101762 0.0567591580 0.0669284936 0.0036322026 -0.0025982674 -0.0008796788 0.0047195695 0.0193798101 -0.0117892960 -0.0184103933 -0.0175829699 0.0199968056 -0.0013066747 -0.0109141632 0.0178914865 -0.0016104432 -0.0010332843 -0.0037721279 0.0009870923 0.0246087233 -0.0093727199 -0.0154837182 -0.0146127771 -0.0014310370 0.0057952030 -0.0006258432 0.0066357830 -0.0048494668 0.0179033890 0.0229384051 0.0107795322 -0.0002613172 -0.0203984403 0.0054208189 -0.0071496536 -0.0067245404 0.0029136507 0.0027514335 0.0045824380 0.0012346521 -0.0081089499 -0.0035660159 -0.0006899410 0.0100546012 0.0050254483 -0.0009952302 -0.0019957589 -0.0011044617 -0.0016661649 -0.0040501457 -0.0018066618 0.0004038783 -0.0075601290 -0.0096989928 -0.0025645827 -0.0012379031 -0.0006747504 -0.0057486285 -0.0001484657 -0.0034113596 -0.0036673941 0.0015686326 -0.0009218284 -0.0103346957 -0.0024133825 0.0035156766 0.0032267339 -0.0029860192 0.0046446327 0.0003174697 -0.0024380506 0.0027598482 0.0029892661 0.0018548551 -0.0022491041 0.0044483282 0.0004736041 -0.0002534134 -0.0045866023 0.0099095440 -0.0155542792 0.0070369819 -0.0005052719 -0.0018284928 -0.0035153986 0.0026807370 0.0027081317 0.0066960110 0.0015672494 0.0003204378 -0.0059318227 0.0272025032 0.0259403926 -0.0000939948 0.0015210935 0.0014509842 -0.0026827826 0.0371878113 -0.0417370102 -0.0057212797 -0.0959838240 0.1937365017 -0.0985560729 -0.1151900947 -0.0373432347 0.4346488804 -0.0928062265 0.1760828468 -0.2556583162 0.0189574852 -0.0132882794 -0.0046307035 -0.2031558105 -0.1420577611 0.3220425809 0.0807527786 0.1360125548 -0.2030164920 -0.0769479723 0.1143877974 -0.0678178236 0.3072548288 -0.0602871057 0.0598455318 -0.2473323125 -0.1677488523 -0.3751909022 0.0201961069 -0.0170339019 0.0193805597 0.0278347089 -0.0331102129 0.0453953965 -0.0471398007 -0.1579126780 0.0701740881 -0.0354355819 -0.0033312790 0.0033444115 0.0296533182 0.0477453886 0.0323747044 -0.0861457882 0.1308863027 0.1029641870 0.1060236818 -0.0340718265 -0.0419390046 -0.0099699147 -0.0276627167 -0.0031740203 -0.0290527383 -0.0325772376 -0.0004007169 0.1006103162 -0.0242942086 -0.0561512108 0.0299782828 0.0274611450 0.0148981860 -0.0223998955 -0.0227772246 -0.0356284850 0.0610202047 0.1009008212 -0.0315756176 0.0164491545 0.0009750589 -0.0024350604 -0.0107974303 0.0014473419 -0.0066476421 0.0048211967 0.0167297127 -0.0032761133 0.0006272157 -0.0129465611 0.0151702973 0.0013851423 0.0030660045 -0.0073029724 -0.0251980419 -0.0094591955 0.0179924336 0.0391120589 -0.0055147697 -0.0051471418 0.0107346014 -0.0023491756 0.0113801049 -0.0018336641 0.0391127308 -0.0067998632 -0.0210645382 -0.0082063600 0.0430880618 0.0043300005 -0.0076754807 -0.0013480534 0.0133967664 -0.0116452528 -0.0001674440 0.0014167002 0.0039590351 -0.0120405848 -0.0077145610 0.0070587098 -0.0073354385 0.0038997393 0.0009938707 0.0003451327 -0.0048056392 0.0189899423 -0.0097109012 -0.0086318690 0.0220157574 -0.0125421427 0.0001917756 -0.0007611707 -0.0080943620 -0.0206969246 -0.0180428586 0.0015979774 0.2164857161 0.1626924672 0.0402728460 -0.0039383097 -0.0073883733 -0.0113554109 0.0825871389 0.0751580450 -0.0707368240 -0.0336435273 0.0992542278 -0.6528591241 -0.1307705399 -0.1342904852 -0.0171121462 -0.1667561065 -0.1218527201 0.2000406724 0.0908440491 0.0237812239 0.0671496920 0.0453232384 -0.0140894435 0.1084463026 -0.0573695359 -0.0906412319 0.2401706621 -0.1257351811 -0.0804709345 -0.0483018064 -0.2431712086 -0.0565521904 -0.0537443395 -0.0657057749 0.0143509736 0.0245307712 -0.0300454701 -0.0013894997 0.0776630880 0.0152943203 -0.0028952222 -0.0034508435 0.1395465378 0.1200849612 0.1348072855 0.1237797231 0.0178336975 -0.0280172730 -0.1737137465 -0.1088426267 -0.0357202805 0.3446149814 -0.4976155629 -0.3300022944 -0.3086131319 0.0483981341 0.1442015632 0.0354853778 0.1028211294 0.0070300328 0.0017906475 0.1235632700 0.0427003539 -0.2655962616 0.0925077714 0.1516830833 -0.0985190150 -0.1084576744 -0.0232227925 -0.0242205755 -0.0120489169 0.0844695909 -0.2020086113 -0.2298793926 0.0848814599 -0.0115853922 0.0141814276 -0.0058342146 0.0006722193 -0.0150076144 0.0016735095 0.0147214292 0.0011989513 0.0048505096 -0.0083683139 -0.0217528955 0.0207075583 0.0086196537 -0.0001931466 -0.0034762778 0.0299645893 0.0201396994 0.0031557271 0.0255766092 0.0074714618 -0.0018745207 -0.0093278244 0.0016653262 0.0097702767 0.0041391367 -0.0237652239 0.0378271538 0.0245386817 0.0218815429 0.0013157822 0.0053522436 -0.0043892820 -0.0052612048 -0.0056314770 0.0012127942 -0.0102506804 0.0123010207 -0.0214719358 0.0180324501 0.0023608892 0.0039404306 -0.0091459519 -0.0220089610 0.0126566967 0.0044689898 -0.0361002182 0.0287677613 -0.0141466568 0.0123265611 -0.0278636727 0.0293483099 0.0015337752 0.0030623953 -0.0112313663 -0.0105406916 0.0023772745 -0.0021628899 0.0650208415 0.0463463153 0.0057881886 -0.0030561907 0.0225545556 0.0371768284 0.0241599721 0.0204369948 -0.0200841184 -0.0111287113 0.0316866756 -0.1855010919 -0.0389382665 -0.0381725397 0.0043959256 -0.0484236123 -0.0306421939 0.0511789042 0.0256882368 0.0060468688 0.0187844100 0.0085882663 -0.0067282883 0.0372470903 -0.0164022682 -0.0229125649 0.0634602884 -0.0365783619 -0.0212770464 -0.0129314887 -0.0629494174 -0.0199831155 -0.0093497230 -0.0264344059 -0.0039261778 0.0036692223 -0.0058598855 0.0002352715 0.0195751569 0.0042419889 -0.0017958448 -0.0013944923 0.0243118334 0.0110352406 0.0384890032 -0.0008265685 0.0280871184 -0.0555109209 -0.2583930996 0.1979789549 0.2648876886 0.1666028344 -0.1715726295 0.0788183272 0.1709522261 -0.2331366414 0.0090167890 0.0128400392 0.0173765455 -0.0033541150 -0.3507300964 0.0210933084 0.1493101399 0.2480152249 0.0072023610 -0.1043296990 0.0275310934 -0.0601201891 0.0624547798 -0.2829057871 -0.2510558177 -0.0795242986 0.1100285293 0.2607521397 -0.1115174051 -0.0251604954 0.0197256614 0.0036676168 -0.0416716971 -0.0519510666 -0.0094269139 0.0326834054 0.0758628929 0.0122167422 -0.1186693926 -0.0948105765 0.1234331224 0.0268206493 -0.0071732880 -0.0229717548 0.0515328200 0.0294739865 0.0218070342 0.1253297080 0.0210046831 -0.0144658339 0.0058059129 0.0226175580 0.0563644016 0.0184414761 0.0372197637 0.1002094813 0.0291525936 0.0638546677 0.1016331979 0.0273374580 -0.0326913619 -0.0166050986 0.0300350637 -0.0433917211 0.0168864438 0.0400134733 -0.0479863177 0.0221791072 -0.0158408486 0.0260513292 -0.0491860344 -0.0313361804 0.0194677958 0.0426751299 -0.1235436423 0.1682748358 -0.0767906129 0.0144150086 -0.0053283505 0.0575972471 0.0158103516 -0.0173883409 0.0019032563 -0.0122534533 0.0268126488 0.0343816049 0.0043825029 0.0779991709 0.0479237673 -0.0150368256 0.0198725342 -0.0427182278 -0.0050386411 -0.0114889441 0.0041437079 -0.0040509941 0.0068728909 0.0596135186 0.0058826887 0.0127899108 0.0364720251 0.0118050339 0.0295851717 -0.0479770487 -0.0064116954 -0.0014360390 -0.0053493758 -0.0231542050 -0.0136262876 0.0120761455 0.0258213438 0.0228627099 -0.0420352841 0.0075699328 0.0134951836 0.0053943212 0.0580881339 0.0093962375 0.0014368658 -0.0222341107 -0.0274128671 -0.0143054424 -0.0006217154 -0.0085349763 -0.0086899295 0.0033245978 0.0005223570 0.0033189009 0.0058430457 0.0078797707 -0.0163415314 0.0043182135 0.0122232642 -0.0286045790 -0.1154576173 0.0857132491 0.1141950267 0.0842626454 -0.0873097727 0.0274236593 0.0727395356 -0.1052587588 0.0045155819 0.0075201770 0.0074402730 0.0080093998 -0.1832734727 -0.0123331230 0.0623102800 0.1164350987 0.0300936122 -0.0539588607 -0.0025242684 -0.0145521708 0.0262468111 -0.1807028335 -0.0623295125 0.0315832103 0.0754397749 0.0808133415 -0.0573890270 0.0108730975 -0.0058055670 0.0436424804 0.0747921523 0.0089786829 0.0077763599 -0.1748616469 0.0059303689 -0.0099187081 0.1904113655 0.0121774662 -0.0416437860 0.0404089065 -0.0049694093 0.0946540577 0.2469020059 0.0394708768 -0.2451699084 -0.2942911482 0.1936615356 0.0774274091 -0.0768393981 -0.0138481463 -0.0934679094 -0.0018937531 -0.2426131622 0.0259073303 0.0940315095 -0.0516865280 -0.3918714699 -0.0584702594 0.0670731955 -0.0150195488 -0.0667821633 0.0899692008 -0.0817711271 -0.0368315915 0.0402435422 0.0643446344 0.0667997335 -0.0726414263 0.0723492706 0.0170859861 -0.0438983525 0.0108552912 0.0831223403 -0.1776575694 0.0938254421 0.0667193591 -0.1476204966 0.0799417137 0.0037812292 -0.0039008825 0.0689831499 -0.0235786055 0.0111526867 -0.0925968753 -0.1870816098 0.0498408817 -0.0803211291 -0.0185728798 0.0295595587 -0.0619417788 0.0094082446 0.0118514766 -0.0010008519 -0.0005624723 0.0017505360 -0.0819189537 -0.0168639139 -0.0220668443 -0.0148791570 -0.0231459243 -0.0314165481 0.0561026816 0.0053754569 -0.0008015581 0.0024340774 0.0118750435 0.0067227917 0.0027129188 -0.0393017218 -0.0267851768 0.0435461577 -0.0101503739 -0.0083708901 -0.0096169235 -0.0617604108 -0.0335812979 0.0275707658 0.0037476683 0.0086836385 -0.0075158496 0.0160216283 0.0177750213 0.0051354050 -0.0064656180 -0.0043240247 -0.0012000120 -0.1040914856 -0.1237308269 0.0139531238 0.0246130415 0.0009258568 -0.0297172132 -0.0739869258 0.0417668146 0.0650532604 0.0963132894 -0.1056975140 -0.0141132789 0.0452086134 -0.0798262413 0.0043743289 0.0023187208 0.0239759837 0.0112054625 -0.1086898190 0.0198572308 0.0506916476 0.0590540300 0.0410292610 -0.0227388790 -0.0444349187 0.0131082948 0.0371516997 -0.1759879994 0.0018746151 0.0730206704 -0.0182562526 0.0605077048 0.0037457267 0.0459760648 -0.0578663721 0.0227308451 0.0495117449 0.0082789768 -0.0573446280 0.0832045242 0.1271373097 -0.0405753635 0.2216150802 -0.0856760858 0.0752326704 -0.1084128158 0.0598896519 0.0305189085 -0.2742842345 -0.0366086010 0.1418843345 0.0230539675 -0.0312973690 0.0365677104 0.0697414544 -0.0581195399 -0.0142307605 -0.0728726552 0.0730473394 -0.3864919471 -0.1889034298 -0.1235800628 0.2135884004 0.0063676303 -0.0036128427 0.0099436200 -0.0340221658 0.0091847810 0.0162220092 -0.0727045117 0.0717291146 -0.2611219155 -0.0457026238 0.0113611621 0.0471686931 0.1035987062 -0.0299802992 -0.1082531540 0.2481766874 -0.2203161396 0.0907695336 -0.1301322518 0.2228818827 -0.2686863728 -0.0019448873 0.0069796113 0.0470836065 0.0432216781 -0.0626874791 -0.0194285103 0.0510662240 0.0033325796 -0.0022498990 -0.0215886047 0.0346318509 -0.0584985695 -0.0071312751 -0.0049770125 0.0052172978 0.0029374491 -0.0098071050 0.0465082401 0.0102804220 0.0100078660 -0.0052573081 0.0128796228 0.0054517519 -0.0100886082 -0.0046956287 -0.0000966475 -0.0046960485 0.0004015293 0.0025864583 -0.0130884046 0.0076818190 0.0070945177 -0.0156941090 0.0067216442 0.0089042216 -0.0058100683 0.0206822307 0.0097857646 -0.0088262782 0.0198173357 0.0165381716 -0.0401172850 -0.0117684521 -0.0029104239 0.0093834356 0.0062296184 -0.0012236065 0.0026198694 0.1050314251 0.1179589498 0.0180378211 0.0000127216 0.0015576429 0.0004369730 -0.0042710668 0.0007713812 0.0017131683 0.0028630233 -0.0038891200 -0.0013779273 -0.0031747065 0.0005659753 0.0023966776 0.0005202893 -0.0013714799 0.0008684813 -0.0115343398 -0.0059648606 0.0003564415 0.0066658401 0.0036347899 -0.0050081202 -0.0003687267 -0.0004838500 0.0001854219 -0.0066325507 0.0004845725 0.0052753463 0.0106843502 -0.0046299601 -0.0052314524 -0.0151143546 0.0018434062 0.0086931109 -0.0007831977 -0.0026077901 0.0041169512 0.0154740744 -0.0082269495 0.0040883101 -0.0359985174 0.0153078905 -0.0151744402 -0.0145415050 -0.0132148059 -0.0150548546 -0.0326665041 -0.0138917343 0.0230460167 -0.0038822404 -0.0576506906 -0.0157316863 0.0091861320 0.0120521518 0.0093245432 0.0039030813 0.0276526819 0.0007527802 0.0020580978 0.0292783441 0.0501175096 0.0121715718 -0.0104762009 0.0113841997 0.0123261913 -0.0215970591 0.0503047862 0.0123007168 -0.0175997738 0.0091744450 -0.0124961937 0.0122757191 -0.0151383693 -0.0021366563 0.0046543442 0.0085317302 -0.0234394358 0.0487854904 -0.0221628370 -0.0094259053 0.0277408190 -0.0060814618 0.0034049902 0.0007014349 0.0087239698 0.0275066810 0.0144703109 -0.0090303140 0.0233716599 -0.0420526916 -0.0232217237 0.0020601713 0.0016089106 -0.0058314277 -0.0265349223 0.0170100156 0.0776299822 0.0355680685 -0.1231179700 0.0531897384 0.0082278000 -0.0305432185 -0.1384577230 0.0003200916 -0.1486389004 0.2775212619 -0.0055268327 -0.0188123319 -0.0698350193 0.1551447413 0.1366612185 -0.1495060626 -0.2477909854 -0.0839876432 0.0564834002 0.0183276020 0.0486741101 -0.1490774948 -0.1438392998 -0.0689702780 0.0147441993 0.2257281679 0.2413092050 -0.4228073263 -0.0038326621 0.0304242847 0.1270927982 0.0228729065 -0.0379844055 0.0118868571 -0.3029776272 -0.4274964559 0.2316335579 0.0013267659 -0.0048513732 -0.0002083984 0.0141819206 -0.0073971263 -0.0093626349 -0.0062388786 0.0070422679 -0.0006241719 0.0043372208 0.0017681551 -0.0052758747 -0.0024287167 0.0041394303 -0.0013407504 0.0227814308 0.0163579459 0.0031058547 -0.0208111100 -0.0006841116 0.0097249117 0.0023069474 -0.0013209100 -0.0013593141 0.0112948127 -0.0034738670 -0.0106842556 -0.0282541003 0.0114114734 0.0134742818 0.0244690269 -0.0163232272 -0.0183166471 -0.0231409397 0.0033520405 -0.0090806093 -0.0425771088 0.0315572648 -0.0055662620 0.0504167815 -0.0348168285 0.0281407204 0.0375384938 0.0022466552 0.0192243222 0.0604386759 -0.0143931666 -0.0743364232 0.0016903709 0.1015898175 0.0195335578 -0.0144313560 -0.0017316346 -0.0085822678 0.0094822275 -0.0099728713 0.0615032750 0.0078096873 -0.0453977273 -0.1179414397 -0.0230442365 0.0217458397 -0.0184373566 -0.0036277774 0.0237246000 -0.0507663521 -0.0124411577 0.0261829083 0.0225690297 0.0262624831 -0.0259267053 0.0104748830 0.0046401158 -0.0207269111 0.0309626144 -0.0123513016 -0.0075332526 0.0078069456 0.0406603258 -0.0687118938 0.0630843260 -0.0014563316 0.0048939781 -0.0232516073 -0.0751534634 -0.0357285290 0.0132389550 0.2147359083 0.2814646936 0.0860249719 -0.0054429531 -0.0009490179 0.0122466817 -0.0411982153 -0.0251960939 0.0253460514 0.0169106597 -0.0597951314 0.2455470992 0.0601073284 0.0586491979 -0.0421585893 0.0742547340 0.0229489791 -0.0478185101 0.0065774902 0.0097817897 -0.0206541607 0.0681067010 0.0519741799 -0.0955825839 0.0640674592 0.0591309506 -0.0928553264 0.0104511089 0.0291551816 -0.0592323467 0.0953226715 0.1100341179 -0.1657893989 0.1126106230 0.1213305951 -0.2226679972 -0.0909721676 -0.0628850646 0.0863348572 0.0462569610 0.0009780665 0.0103874921 0.4900169675 0.5024677448 0.1524865902 -0.0204456708 0.0174861039 0.0197664812 -0.0150510872 0.0036015187 0.0000500792 -0.0346511887 0.0312292358 0.0059056717 -0.0515825629 0.0437382593 0.0196798793 0.0153111349 -0.0233946536 -0.0184977676 0.0433531089 -0.0190405998 -0.0233858274 -0.0093431505 -0.0410398599 0.0006309160 0.0451350618 -0.0381272810 -0.0297179343 0.0964256165 -0.0570333227 -0.0751349895 0.0381149956 -0.0295237307 -0.0290699504 -0.0538988419 0.0773412043 -0.0166118668 -0.0373817698 -0.0969862123 0.0052268814 0.0290543557 0.0668426740 0.0317051406 -0.0616777470 -0.1519173787 0.1546520646 0.0503402564 0.0977019012 0.0174055828 0.2452275681 0.2887940895 0.0908740114 0.2375195469 0.1506054323 0.0342471477 -0.0112230580 -0.0669730775 0.0087021762 -0.0400486726 -0.0998924246 -0.1028524606 -0.0051199114 0.0238083546 0.1657396901 -0.0106417562 -0.0181610230 -0.0717679881 -0.0652191258 0.0888569513 -0.3770824125 -0.0539590263 0.0777406154 -0.2182232434 0.0078266964 0.0071190713 0.0841791377 -0.0229340820 0.0663526086 -0.2167298554 0.2270772608 -0.3863337055 0.1551820766 -0.0726551594 0.0001702599 -0.1866398631 0.0073749546 -0.0141182585 -0.0364629625 -0.0269605825 0.0725960680 0.0340902202 -0.0828413470 0.0919362054 0.0403216797 -0.0002535754 -0.0099730039 0.0473397350 0.0008709311 0.0023553779 0.0063317679 0.0013491892 -0.0055673742 -0.0104083602 -0.0045538973 -0.0072612694 -0.0027367436 -0.0055440550 -0.0129637085 0.0258847100 -0.0001267013 -0.0022620161 -0.0069355267 0.0091135814 0.0086305658 -0.0065611099 -0.0249684144 -0.0085490374 0.0052116943 0.0010459542 0.0021637671 -0.0098559927 -0.0096098102 -0.0070797544 0.0027762541 0.0065267457 0.0094105604 -0.0114000777 0.0037797865 0.0008149225 0.0065538171 0.0010800205 -0.0022761338 0.0000871036 -0.0711306938 -0.0841841600 0.0096211108 0.0133847433 -0.0162367718 -0.0167385869 0.0151612433 -0.0005741049 0.0015989453 0.0212335789 -0.0170981424 0.0032336208 0.0507677034 -0.0404993787 -0.0204359326 -0.0148391527 0.0168057757 0.0180721454 -0.0529509151 0.0085277385 0.0229689673 -0.0004578456 0.0375075720 0.0013063074 -0.0222737284 0.0233464247 0.0127435679 -0.0670941272 0.0427624157 0.0559674807 -0.0032399098 0.0110183988 0.0066590567 0.0375540777 -0.0565954720 0.0201401547 -0.0523686749 0.0197443104 0.1002307790 -0.2507549673 -0.2168296283 0.0555839781 0.0397110786 0.1315048139 -0.1987914904 0.0501671786 0.0319192704 -0.0759184935 0.0969417536 0.1484716782 0.1223458351 -0.0511566807 -0.3178955737 -0.0956616022 0.0091313510 -0.0191363765 -0.0053035046 0.0540750549 0.1742083906 0.2320734703 0.0397337060 0.1195756081 0.2069206927 -0.0128145907 -0.0803222329 0.0077306800 0.0763894159 -0.0067342071 -0.3761135817 0.0401579302 0.0318690162 0.1861362888 0.0106586402 0.0730196686 0.0153849217 -0.2041829804 0.2070568391 -0.2333601461 -0.0025507139 -0.2117655499 0.0639387713 -0.0235028120 -0.1166339940 -0.0600067407 -0.0056343537 0.0152632782 0.0581164000 -0.0027162417 -0.0184470948 -0.0985785319 0.0531217269 -0.1374143444 -0.1311229449 -0.0008629113 0.0083459266 -0.0356230451 -0.0033993307 -0.0035137950 0.0034500476 0.0010640223 -0.0040574607 0.0249317110 0.0053903929 0.0053181734 0.0018896312 0.0069921090 0.0036665360 -0.0065149504 0.0039967045 0.0036114000 -0.0024981850 0.0111050550 0.0076372266 -0.0128435211 0.0187519249 0.0115629010 -0.0150045959 -0.0014068821 -0.0009367221 -0.0005244076 -0.0039547489 0.0129554454 -0.0161504817 -0.0011198691 0.0003746974 -0.0028790495 -0.0084142231 -0.0031914658 0.0042826407 0.0046987986 0.0007975338 0.0014901379 0.0796138999 0.0845403492 0.0113831239 -0.0862838874 0.1507845744 0.0777705522 -0.2658883437 0.1352787460 0.1367219409 -0.0362481902 0.0177137859 0.0002341352 -0.3058714231 0.1796647270 0.1636815545 0.1727414843 -0.1133046433 -0.1082586039 0.2932378265 -0.1094654791 -0.1469941161 0.2684075215 -0.1425359203 -0.1433581413 -0.0066164527 -0.0744565421 -0.0234370615 -0.1135037290 -0.0625549384 0.0413069489 -0.0654756319 -0.0867116824 0.0149933818 -0.0194297624 0.0290067107 0.0079154569 0.0868390955 -0.0152886991 0.0277176583 0.0191476707 -0.1062090399 0.0111624438 0.2070257636 -0.0054164834 -0.0501073523 -0.0267994858 -0.0299774959 -0.0044368598 0.0795142763 0.0647926941 0.0125548334 -0.1899221899 -0.1992959830 -0.0225928080 -0.0121607861 0.0006266240 -0.0379510309 -0.0106271711 -0.1177955134 -0.0982082133 0.0492504158 0.0972372163 0.0593931063 0.0514094663 -0.0524835174 0.0756892314 0.0305128944 -0.0765273670 0.1857911942 0.0566043454 -0.1002083407 0.0877862801 -0.0495395047 0.0599074779 -0.0240147202 -0.0464792494 0.0672830009 -0.0638693920 -0.0096115612 0.0404983406 -0.0220227212 -0.0700762029 0.1133632616 -0.0959173586 0.0008633107 -0.0003654332 0.0239790947 -0.0457003304 0.0208907611 -0.0688554827 -0.0583274466 0.0697168789 -0.0611063195 -0.0403742747 0.0284911458 0.0294073049 -0.0096759373 -0.0032721530 -0.0137985254 0.0018923047 -0.0041531315 0.0412869200 0.0203238072 0.0242793426 -0.0283867284 0.0227293567 0.0211979727 -0.0483777673 0.0021222990 -0.0000829328 0.0183891410 0.0036269386 -0.0036523181 0.0062753065 0.0271302529 0.0101715541 0.0015050484 -0.0026851574 -0.0007375848 -0.0053803872 0.0261984276 0.0307754735 -0.0476362408 0.0248163170 0.0296314760 -0.0188557683 -0.0138656304 -0.0139459505 0.0110471929 0.0050959784 0.0037858496 0.0012913195 0.1072988580 0.1105182742 0.0219073200 -0.0243764185 0.0482056595 0.0235488362 -0.0809071133 0.0434098899 0.0421917411 -0.0069086844 0.0034617114 -0.0026094190 -0.0943544839 0.0573647799 0.0510103025 0.0600946429 -0.0286343989 -0.0352385880 0.1291090992 -0.0212540972 -0.0536412269 0.1175014952 -0.0358911549 -0.0588949322 -0.0374842835 -0.0042587341 0.0170346395 -0.0819600831 0.0020780292 0.0463910690 -0.0769940385 -0.0110656332 0.0413220870 0.0184017046 -0.0239175506 0.0020752048 -0.0408230297 0.0163816523 -0.0110241202 -0.0225750067 0.0357174853 -0.0074244537 -0.0774579248 0.0166082912 0.0034684183 0.0041254661 0.0162153166 -0.0054800849 -0.1070846047 -0.0713704568 0.0075735029 0.0851238892 0.0673607562 0.0021836030 0.0155553027 0.0012427142 0.0236498346 0.0139577120 0.1149162891 0.0815034154 -0.0405011722 -0.0676473268 -0.0290546556 -0.0362404199 0.0317488320 -0.0391465822 -0.0077885319 0.0422585841 -0.1133203808 -0.0317782223 0.0647241683 -0.0202745297 0.0330069700 -0.0347419532 0.0070444703 0.0169350433 -0.0355719363 0.0480667458 -0.0185437333 -0.0029852626 0.0021475392 0.0527025701 -0.0842609219 0.0787757934 -0.0029153299 0.0035098169 0.0039398263 0.0366248498 -0.0260913631 0.0165314205 0.0659361920 -0.1048045236 -0.0031610472 -0.0030064658 0.0006603133 -0.0110205443 0.0432623847 -0.0395342207 0.1632666085 -0.0194761402 0.0202852102 0.0074923458 -0.0993520247 -0.1283640674 0.3523086777 -0.1011691552 -0.0931626286 0.2549568088 0.0651600453 0.1002362786 -0.1854886555 0.1088410002 0.1155381171 -0.2884502918 0.2365450451 0.1599748039 -0.2982309949 -0.0691197932 -0.0612559815 0.0166417037 -0.1752584450 -0.0749348442 0.0460852537 -0.2145047558 -0.1764844294 0.2408711134 -0.0034912710 -0.0009829990 -0.0041989331 -0.0141372833 0.0103172899 -0.0110035540 -0.0220117652 -0.0016876196 -0.0158697989 -0.0354648665 0.0747546332 0.0362015773 -0.1256156211 0.0649825582 0.0636207652 -0.0067222734 0.0008510757 -0.0081311183 -0.1485769758 0.0898950725 0.0802898683 0.0922147127 -0.0430026028 -0.0544666198 0.1993652535 -0.0340158062 -0.0859749639 0.1843878016 -0.0571091112 -0.0908885025 -0.0650967351 -0.0001473757 0.0327488812 -0.1371638253 0.0092996364 0.0793572400 -0.1285487191 -0.0099809830 0.0710260448 0.0262717642 -0.0507551432 0.0008216681 -0.0913263871 0.0217812089 -0.0158907859 -0.0378808455 0.0688273467 -0.0065760467 -0.1373140354 0.0185294261 0.0093729364 0.0116719639 0.0316304881 -0.0129206021 -0.2048311516 -0.1375531233 0.0165752452 0.1635489865 0.1194597983 0.0013074336 0.0347387806 0.0053363947 0.0510664094 0.0355623474 0.2582965093 0.1926372474 -0.0804947865 -0.1274365637 -0.0408940781 -0.0776333956 0.0607275949 -0.0845076961 -0.0103336663 0.0877784911 -0.2680964084 -0.0659455593 0.1422421022 -0.0369124957 0.0707426084 -0.0683585471 0.0168287568 0.0230493606 -0.0611987613 0.0848236407 -0.0373217865 -0.0237656351 0.0103053165 0.1091749530 -0.1864986512 0.1604727523 -0.0029190013 0.0081292557 0.0125143369 0.0591163044 -0.0483768473 0.0295792219 0.1388432253 -0.1784978359 -0.0025994749 -0.0015213613 -0.0006483145 -0.0237707873 -0.0138048034 0.0270838300 -0.0778479582 0.0096509751 -0.0069707838 -0.0515862649 0.0337272411 0.0449129441 -0.1744173530 0.0306074129 0.0289407260 -0.0900597125 -0.0435563576 -0.0589223909 0.0849278083 -0.0717888339 -0.0644033644 0.1610660740 -0.1694226546 -0.1045837029 0.1688365143 0.0464239478 0.0397375385 -0.0020962513 0.0727886583 0.0063343665 0.0344162657 0.1081102863 0.0847431256 -0.1099562648 0.0141118956 0.0130773251 -0.0102449345 0.0031874759 -0.0088664350 0.0063580734 -0.0652377896 -0.0654579128 -0.0212080047 0.0092064822 0.0030062590 -0.0099367549 -0.0526888804 0.0027589745 0.0193466583 0.0382945334 -0.0518794280 -0.0165108093 -0.0195700151 -0.0283598065 0.0190625579 -0.0352803421 -0.0429797800 0.0139760196 -0.1886103576 -0.0617669150 0.0572283797 -0.1666463233 -0.0262601586 0.0613363054 0.1126365158 -0.0229629409 -0.0798167794 0.1227611995 -0.0044584674 -0.0631827413 0.1906042595 -0.0418621895 -0.1125594376 -0.0514222570 0.0751408217 0.0100577436 0.0711886378 -0.0735779009 0.0381674130 0.2589137986 -0.1661650484 0.0390840307 0.3344077258 -0.1173915303 0.0176774193 -0.0790415154 0.0157076704 -0.0309325316 -0.3094581252 -0.1236246300 0.1188325548 -0.0256100929 -0.1814156386 -0.0337307380 0.0640245892 -0.0068831967 0.0538571532 0.0306133356 0.2874686969 0.1132247609 -0.1119806893 -0.1165164629 0.0876707441 -0.0696267478 0.0656157256 -0.0342664660 0.0004509560 0.0699638619 -0.1412284300 -0.0666729612 0.1184884750 -0.0130878215 0.0554854085 -0.0561698789 -0.0210620439 0.0213656178 -0.0681608887 0.1371230815 -0.1011647293 0.0836077089 -0.0445846882 0.1126683815 -0.1549774046 0.1860055701 0.0058005981 -0.0052281913 0.0469067142 -0.0295684469 0.0506324649 -0.1028509034 0.0407457749 -0.1414299044 -0.1647115036 -0.0480566719 0.0454818734 0.0555760331 -0.0128755761 -0.0096766875 -0.0063194859 0.0002042755 -0.0065356163 0.0662609593 0.0260384751 0.0303094845 -0.0122360401 0.0315627185 0.0232034396 -0.0517357388 0.0211156745 0.0133215261 0.0157645510 0.0357154653 0.0149305995 -0.0230512162 0.0735399334 0.0336792660 -0.0195853606 -0.0244914963 -0.0177188900 -0.0102044339 -0.0060428613 0.0197182037 -0.0579493159 -0.0107466404 0.0033952312 0.0072426783 -0.0014410194 -0.0007624959 0.0095326915 0.0010156463 0.0017295915 0.0001385764 0.0396885997 0.0239819357 0.0294376556 0.0022249667 0.0075534666 -0.0011787079 -0.0202152424 0.0065473249 0.0086573435 0.0162267706 -0.0177767950 -0.0068551155 -0.0104139572 -0.0031768548 0.0100569309 0.0011648844 -0.0083730581 0.0021106085 -0.0079349972 -0.0132343671 -0.0000245997 0.0150428677 0.0031103087 -0.0106384683 -0.0169399413 0.0181625437 0.0104744567 -0.0185746609 0.0238332014 0.0224911729 0.0001483471 -0.0089729659 0.0079567749 -0.0128872334 0.0024277500 0.0099133806 -0.0333692201 0.0211593820 0.0201915977 0.0163083622 -0.0364000117 0.0151486551 -0.1967873517 0.0835767325 -0.0448021970 0.0270972664 0.0089595156 -0.0198614176 0.0814344503 0.0692699867 0.0156961313 0.1841312840 0.1192411055 -0.0041679881 -0.0305896030 -0.0189373791 0.0111981567 -0.0405048481 -0.1514232145 -0.0937119703 0.0237824614 0.0035307243 -0.0226151119 0.0314929423 0.0266437460 -0.0056853019 -0.0703149504 0.0317378259 0.1151243686 0.0012195796 -0.0512582500 -0.1132577153 -0.0210379575 -0.0185904629 0.0021929373 0.0793118178 -0.0687308456 0.0433083210 0.0468019501 0.0340906328 -0.0065851027 -0.0248652188 0.0888486915 -0.0329826312 0.0018421211 0.0027068817 0.0300170951 0.0244598367 -0.0060844298 -0.0309061548 0.1461762134 -0.2480473612 -0.0991751782 0.0142199421 -0.0123527013 -0.0161071447 -0.0859598534 -0.0329297770 -0.0469969784 0.0177437662 -0.0741537715 0.3641098699 0.1636329117 0.1851428925 -0.1836192974 0.1989327667 0.1048964646 -0.2506973540 0.1284479336 0.0383210871 0.1047193647 0.2674879511 0.1260317798 -0.0779312519 0.2964091810 0.1528608665 -0.0685028558 -0.1403529490 -0.0621989663 -0.0426637231 -0.0720305986 0.0055572267 -0.1390097278 -0.0830711654 0.0016758433 -0.0620016582 0.0328257069 0.0312122339 0.0087630193 -0.0039291581 -0.0100671131 0.0057344024 -0.0902614140 -0.1411439011 0.0370787024 0.0019136499 0.0067172020 -0.0048518881 -0.0328825716 0.0123526120 0.0180675910 0.0192106973 -0.0225908065 -0.0037378941 -0.0099086074 -0.0129265275 0.0109988541 -0.0038888977 -0.0171673698 0.0051030558 -0.0528491017 -0.0280001180 0.0131613720 -0.0364044663 0.0000726322 0.0093616841 0.0213308736 0.0031122060 -0.0196265113 -0.0007237197 0.0216103149 0.0133780826 0.0431628342 -0.0184461404 -0.0229938815 -0.0041545984 -0.0039295422 0.0066439784 -0.0583994595 0.0128617297 0.0687110801 0.1089881386 -0.1701707219 0.0561291736 -0.1430785662 0.0959250602 -0.0857706646 0.0477249986 0.0463668945 -0.0507409040 0.1022599788 0.1402846483 0.0756843757 0.3512646935 0.1620362678 -0.0244317327 -0.0385821770 -0.0647441015 0.0032726993 -0.0686678943 -0.2353880023 -0.1880547431 -0.0059300588 -0.0936797987 -0.0946130396 0.0432439386 0.0583256420 0.0207874973 -0.1087571621 0.0512252150 0.2519817286 0.0010953008 -0.0935308456 -0.1245426976 -0.0305286088 -0.0356323401 -0.0173093122 0.1267196584 -0.1256934325 0.1206458466 0.0242548493 0.1264183526 -0.0447114357 -0.0149989859 0.1277102513 0.0010456898 -0.0001245438 0.0076258750 0.0567753265 -0.0209586647 -0.0060725321 -0.0803297098 0.2744518732 -0.3448724124 -0.1815792230 -0.0117975515 0.0127109153 0.0042059525 0.0383667945 0.0107091855 0.0181321507 -0.0106175909 0.0389240650 -0.1543159536 -0.0716514386 -0.0796233898 0.0922584985 -0.0881571584 -0.0369799216 0.0919957652 -0.0624367990 -0.0130572261 -0.0435500085 -0.1390745797 -0.0700614907 0.0351334805 -0.1172967739 -0.0670379201 0.0335737850 0.0701775638 0.0243630367 0.0124548799 0.0456569113 0.0251500013 0.0179190781 0.0483302513 0.0070023210 0.0403318869 -0.0246566384 -0.0175855571 0.0077996459 0.0058113658 0.0055577500 -0.0031524060 0.1008190591 0.1285154946 0.0004899481 0.0687096887 0.0956287980 0.0020240244 -0.3176210816 -0.0102187371 0.0592677391 0.2398489712 -0.3041795556 -0.1998408477 -0.3166345092 0.0349433416 0.2031708829 -0.0852303372 -0.1918613845 -0.0232442405 -0.2785177088 -0.1421260258 0.1202772341 -0.3557345533 -0.2090988235 0.1023297263 0.1044233384 0.1621403986 0.0044405732 0.1085752917 0.1471762561 -0.0214620266 0.0398352681 0.1849802420 0.0395762543 0.0081173603 -0.0099075781 -0.0000576372 -0.0250908175 0.0278616484 -0.0410839345 -0.1178023453 0.1215319657 -0.0355290318 -0.0790273047 0.0123214384 0.0146834092 0.0152783460 -0.0075085892 0.0255348674 0.0271320618 -0.0297877448 -0.0613788971 -0.0392842733 0.0614480056 0.0230619663 -0.0066276192 0.0181277068 -0.0255810770 0.0123426559 -0.0140439497 0.0163298964 0.0219957902 0.0222287171 -0.0556814622 0.0049337425 -0.0382625478 0.0084205428 0.0439270738 -0.0474138112 -0.0133463128 0.0228464460 -0.0111276958 0.0669988158 -0.0056552250 0.0280867336 0.0104226840 -0.0490659765 0.0610540601 -0.0747571324 0.0144984333 -0.0550351681 0.0244134397 -0.0254390271 0.0018000235 -0.0488533311 -0.0012111026 -0.0009573998 -0.0072317973 0.0327790680 -0.0391383319 0.0390735013 0.0627481776 -0.0587055078 0.0347376087 -0.0200843317 -0.0193093365 -0.0040781813 0.0026927480 0.0006723807 0.0013552400 -0.0009143385 0.0031310365 -0.0100685074 -0.0051633508 -0.0050777775 0.0081392055 -0.0060992904 -0.0030143867 0.0072319133 -0.0043479598 -0.0001107648 -0.0036566802 -0.0150726184 -0.0090928414 0.0037955245 -0.0089881459 -0.0029698478 0.0007061998 0.0066968494 0.0005554656 0.0003383415 0.0030889793 0.0040769601 -0.0024499796 0.0034690508 -0.0014901513 0.0067440105 -0.0012526555 0.0005071816 0.0020870897 -0.0010503915 0.0007101707 -0.0017203663 -0.0046630891 0.0019330540 -0.0021679763 0.0028252341 0.0049555633 -0.0012803468 -0.0171345803 0.0032164194 0.0061312007 0.0127622661 -0.0146183710 -0.0066035884 -0.0109511830 -0.0024045277 0.0087778872 -0.0020248865 -0.0085502635 0.0015909152 -0.0179077111 -0.0129813843 0.0031260318 -0.0049677922 -0.0021435222 -0.0010164412 -0.0011025440 0.0111975756 0.0002647945 -0.0085032623 0.0181301625 0.0129467454 0.0039401460 -0.0004629723 0.0017488241 0.0067136521 -0.0084242763 0.0029388220 0.0700801314 0.0532541118 0.0011137360 0.1159448448 -0.0816926994 -0.0136497971 -0.1791599135 0.1335393485 -0.0756795851 -0.0265438015 -0.1516748976 -0.0089728211 0.0731828454 -0.0952415852 -0.0803860833 -0.1557542279 -0.0990945703 -0.0138372495 -0.0691113593 0.1063970630 0.1283167837 -0.0116513350 -0.0823596998 0.2012972596 0.1698679700 0.4037238726 0.3465443584 0.0590758740 0.0323556093 -0.1375463288 -0.1516184131 0.1151138338 -0.1330884246 -0.0250594236 0.0084883215 -0.4341483453 -0.0206663330 -0.0408928969 0.0564445998 0.1511812714 -0.1048894866 -0.0245738026 0.1883414157 -0.1217514629 0.0712119798 -0.0628193338 0.1085561367 -0.1261617822 -0.0019338454 0.0021196742 0.0135534492 -0.0274042961 -0.0127871683 -0.0306387880 0.0327598182 -0.0169673405 -0.0357861872 0.0020155100 -0.0028202295 -0.0050810366 0.0144716978 -0.0101576792 0.0000425137 -0.0137628632 0.0342552609 -0.0293370981 -0.0202230512 -0.0188257194 0.0726608882 -0.0294210794 0.0153755022 -0.0252316411 -0.0285423542 0.0152259044 -0.0053738551 -0.0911506466 -0.0553397464 -0.0029570678 0.0257517651 -0.0139273910 0.0201474003 0.0329040461 -0.0121144439 -0.0117071404 0.0185603156 0.0552021719 -0.0877995242 0.0350706493 0.0101311926 0.0609697766 -0.0135506566 -0.0013391862 0.0266124909 -0.0007922619 0.0035675404 -0.0081717009 0.0182384298 0.0400254603 0.0202888814 0.0016948372 -0.0045368041 0.0069310709 0.0254780494 -0.0193187096 -0.0212755315 -0.0113054242 0.0104524875 -0.0070298731 -0.0041647183 0.0182536201 -0.0030386287 -0.0008188646 0.0112766978 -0.0050602224 0.0116242537 0.0164978979 -0.0040445238 0.0367963720 -0.0056751348 -0.0130059376 -0.0148480938 -0.0003134812 0.0149421877 -0.0056725749 -0.0151030410 -0.0065544605 -0.0084255186 0.0046768147 0.0066178778 -0.0226090235 0.0097244780 0.0012296273 -0.0060228336 -0.0110472137 -0.0138716050 0.0000984492 0.0525158824 -0.0051168378 -0.0069411593 -0.0207141576 0.0148642519 -0.0011755743 0.0200196757 0.0142920269 -0.0239984248 -0.0061207367 -0.0047258749 0.0009455106 0.0283580518 0.0143714767 0.0163663022 -0.0069924309 -0.0253083442 0.0091410896 0.0333047342 -0.0239535816 -0.0271572012 -0.0587930838 -0.0608536636 -0.0156717826 -0.0173959689 0.0205850995 0.0452119760 -0.0346893971 -0.0033365687 0.0047034157 0.0108503854 0.0916338169 0.0070201824 0.0145426652 -0.0054743484 -0.0453247133 0.0397594098 -0.0190318714 -0.0323594362 -0.0034998418 -0.0026500923 0.0090852509 -0.0349548779 0.0139924305 0.0051512567 -0.0005660157 0.0055250129 0.0158890763 0.0049272211 0.0040354061 0.0515403571 -0.0246059599 -0.0043062077 0.0135802866 -0.0111317472 -0.0108878963 0.0268274075 -0.0700273260 -0.0265547222 -0.0631478782 0.1355894615 0.0364887743 -0.0136374405 0.0040135952 0.2671114632 -0.0446030920 0.1309420888 -0.2604984535 -0.0739653946 0.0990048888 0.0333878520 -0.3176931434 -0.2126626597 -0.0509861536 0.2586813969 -0.0175879740 0.1139369486 0.0974475591 -0.0993731696 -0.0935728953 -0.0204504413 0.2385875437 -0.4690671749 0.1130741667 0.0312225296 0.3215732681 -0.0162890383 0.0494202302 0.1317986264 -0.0118228878 0.0016263184 -0.0393930461 -0.2159916755 -0.1322831344 0.1062213804 -0.0298935912 -0.0190687222 -0.0196053008 0.0292521090 0.0568518713 0.0421526847 -0.0460253021 0.0658450225 0.0885405312 0.1135455480 -0.0655402089 -0.0567528429 0.0315983554 0.0240256505 0.0326848114 -0.0502230889 -0.0529490250 -0.0238652176 0.0147012184 0.0999620467 -0.0019519765 0.0372851700 -0.0761085658 -0.0925584291 0.0267146609 0.0004100201 0.0159479305 0.1536714356 -0.1766375691 -0.1187720100 -0.0402540983 0.0398782690 0.0074459610 -0.0253151421 0.0366956022 -0.0872015248 0.0195917310 0.1753783191 -0.0673020209 -0.1254883258 -0.0101531150 0.0547975440 0.0062487919 -0.0353261189 0.0663865727 -0.0931639805 -0.2006939520 -0.1496361235 -0.0056116528 0.2102113338 0.0716709605 -0.0111436935 0.0706645114 -0.0384328964 0.0354542854 0.0096725170 0.0766126413 0.0382103330 0.0417897986 -0.1566852386 0.0046112603 -0.0845049676 -0.0098258575 0.1077391944 -0.1163566294 -0.0409764484 0.0431850667 -0.0008703289 0.1149001277 -0.0043213276 0.0575247690 0.0336393754 -0.0994001513 0.1319378946 -0.1713153227 0.0402549713 -0.1472058159 0.0679425584 -0.0528415513 -0.0231539264 -0.1102008937 0.0060817588 -0.0009137941 0.0369682721 0.0371138346 -0.0671193107 0.0130439739 0.4334984982 -0.4879739767 -0.1152444571 -0.0480867274 0.0687755097 0.0635953780 0.0003182568 0.0027705739 0.0012473429 0.0016816728 -0.0025620646 -0.0055231576 -0.0014397893 -0.0022225400 -0.0067863520 -0.0014805363 -0.0052927045 0.0112572437 -0.0001306950 -0.0038089710 -0.0020385032 0.0052847009 0.0046782431 0.0033394196 -0.0096830160 0.0002420860 -0.0049645461 -0.0015515423 0.0069091846 0.0049139909 0.0042962690 -0.0177550574 0.0323806373 0.0020061681 0.0049102343 -0.0192912447 -0.0026274131 -0.0040607513 -0.0073018650 0.0009021696 -0.0000819134 0.0026056486 0.0455233698 0.0453080307 -0.0055116195 -0.0391145995 0.0293407309 -0.0879642460 -0.1796576016 0.2334859291 0.2215146695 0.0840832181 -0.0410121308 0.1606522025 0.1685473664 -0.2431891130 -0.0288808163 0.0660615919 -0.0513634412 0.1223999862 -0.1182284429 -0.3041167380 -0.0967883068 -0.0144599686 0.2887876206 -0.0285765504 -0.0322393325 0.0353991828 -0.1392673059 0.0013892804 0.2881002980 0.1999801179 0.1003088602 -0.3444653700 -0.0651999338 0.0547025983 -0.0638193244 0.0027824675 -0.0106620384 0.0112311504 0.0166982887 -0.1664043608 0.0157253412 0.0065438795 -0.0460293035 0.0432065143 -0.0343843815 0.0117066578 0.0171155248 -0.0246423149 0.0623414996 0.0889400326 0.0468536261 -0.0189979623 -0.0753124273 -0.0288933669 -0.0008046661 -0.0292776514 0.0093017561 -0.0153706369 -0.0147533431 -0.0287507734 -0.0026998903 -0.0040096090 0.0576293106 0.0036194497 0.0287907723 0.0062004689 -0.0515553029 0.0502732303 0.0057415451 -0.0064609535 -0.0111966688 -0.0289156477 -0.0033167554 -0.0204233138 -0.0108728925 0.0384628779 -0.0493715804 0.0567239458 -0.0048196736 0.0524252040 -0.0231898349 0.0113971748 0.0264932406 0.0289988602 -0.0133058265 0.0116769690 -0.0552990472 0.0226659338 -0.0231701712 0.0328456156 -0.1949523771 0.2507032108 0.1189011442 -0.0176393600 0.0215033610 0.0765446878 0.0012070630 -0.0092475445 -0.0053548999 -0.0073220337 0.0157957947 0.0130893917 0.0039307564 0.0062085332 0.0256027785 -0.0011187137 0.0165767945 -0.0359741358 -0.0048424526 0.0117352573 0.0083096599 -0.0192522034 -0.0131498796 -0.0142224286 0.0278155398 -0.0046969687 0.0230337625 0.0066789904 -0.0109118037 -0.0107675793 -0.0252696822 0.0068510442 -0.0258490714 0.0106389390 0.0045372423 0.0303354169 0.0025699214 0.0157944870 0.0078153928 -0.0007338792 -0.0030997881 -0.0022868779 -0.0650459707 -0.0600415403 0.0065661382 -0.0100804677 0.0398008119 -0.0668689773 -0.1480138870 0.1547177815 0.1406822315 0.1248334471 -0.0986019930 0.0755270690 0.1060710192 -0.1882644841 0.0045465780 0.0237712707 -0.0415381011 0.0999485118 0.0765538932 -0.2100498094 -0.1230496529 0.1037525619 0.2302591657 -0.0823118372 -0.1659594498 0.1319455416 0.0472834133 0.0700058634 0.1869413779 0.0577200560 -0.0539548581 -0.2106371741 0.0888960070 -0.1021663283 0.1254859125 -0.0263430466 0.0275176215 -0.0420499898 -0.0071189672 0.4147588224 -0.1043427966 0.0132022059 0.0885376300 -0.0925492295 0.0695587830 -0.0320741957 -0.0219982109 0.0385598055 -0.0719362878 -0.0943305131 -0.0483168272 0.0480170092 0.1123203043 0.0477589870 0.0153706168 0.0382297829 -0.0146646930 0.0230050263 0.0295441298 0.0045057247 -0.0177938959 -0.0173141813 -0.0708290665 -0.0212314152 -0.0413949226 -0.0021303970 0.1069055945 -0.0916222828 0.0006884090 -0.0119252701 0.0452240699 0.0388932436 0.0161627617 0.0320851997 0.0089448829 -0.0750692731 0.0846535010 -0.0723738693 -0.0229880590 -0.0701530147 0.0264793950 0.0030278832 -0.0785293318 -0.0131450025 0.0137878626 -0.0110306944 0.0231044258 -0.0595243311 0.0853669211 -0.0487985876 0.1564225027 -0.2216060022 -0.1468047328 0.1605686974 -0.1759430141 -0.0466408434 0.0057902280 0.0135340595 0.0075476610 0.0083421065 -0.0121829192 -0.0397901851 -0.0164057817 -0.0187247413 -0.0123361202 -0.0116841308 -0.0268613792 0.0588902428 -0.0031794952 -0.0194898430 -0.0154650524 0.0198773293 0.0162983575 0.0064360597 -0.0540722122 0.0049473254 -0.0372396756 -0.0053946933 0.0134749341 0.0142620110 0.0916508075 0.0191384500 -0.0087169896 0.0090464557 0.0220895656 -0.0176719372 -0.0125958874 -0.0318852487 -0.0031406449 -0.0009517083 0.0094895907 0.0000752448 0.1339503943 0.0938693563 0.0299386733 0.0010464184 -0.0001397502 0.0002561661 -0.0075852744 0.0020763082 0.0054113317 -0.0030322315 0.0038861603 -0.0006020540 -0.0114394486 0.0061488949 0.0033071682 0.0024467233 -0.0033892480 -0.0045458997 -0.0175896841 0.0027282944 0.0120329456 -0.0293028359 -0.0102577349 0.0134089136 0.0163839361 0.0004878466 -0.0106706107 -0.0477673443 0.0271267140 0.0450405330 -0.0471549494 0.0371996440 0.0195117771 0.0671494205 -0.0812758009 0.0113824686 -0.0158739826 -0.0241368576 0.0756891960 0.4268100332 -0.2594991835 0.0788769077 -0.0478960799 0.0179252190 -0.0000616500 -0.0015071333 0.0012622637 0.0055980432 -0.3099393803 -0.2747777008 -0.0341841214 0.3130017699 0.2960068126 0.0423561570 -0.0235287489 0.0525081181 -0.0064135130 0.0290642691 0.0309833396 0.1464721676 -0.0092752210 -0.1030576120 -0.3102279599 0.0302000504 -0.0496751716 -0.0361499546 0.0528243690 -0.0911932222 0.0724507385 0.0619302069 -0.0532354911 0.0587513723 -0.0170946169 0.0360929545 0.0364039904 -0.0121082147 0.0588024523 -0.1237300981 0.0654714461 -0.1134421077 0.0610370731 -0.0641964187 0.0066716451 -0.1166175425 -0.0114411323 0.0108148197 -0.0249322040 -0.0240180247 0.0438147293 -0.0408401883 -0.2334686975 0.2449174764 0.0242797867 -0.0228662294 0.0189135558 0.0016398636 -0.0026486567 -0.0033911718 -0.0016366635 -0.0015429830 0.0006165188 0.0122503367 0.0059460033 0.0063247329 -0.0004488390 0.0059356700 0.0066112555 -0.0150486146 0.0040009357 0.0042999684 0.0041052954 0.0037933306 0.0010158165 -0.0028394262 0.0105961274 -0.0022609025 0.0111262186 -0.0032003843 -0.0049869743 -0.0047108982 -0.0191394036 -0.0054883938 -0.0019327575 -0.0095374268 -0.0082662045 0.0131560947 0.0036112491 0.0120596124 0.0000950829 0.0031518071 -0.0038868296 0.0014474855 -0.0500983239 -0.0415875247 -0.0071717268 -0.0005050885 0.0020506280 -0.0025998529 -0.0023018432 0.0038280926 0.0013966327 0.0076504382 -0.0077414614 0.0017236058 0.0079921059 -0.0100881005 -0.0003266910 -0.0019795598 -0.0004135005 0.0055945883 0.0206207168 -0.0080016285 -0.0131307966 0.0152063179 0.0116633307 -0.0085185194 -0.0128366546 0.0037152895 0.0085527126 0.0361686490 -0.0130580395 -0.0303481634 0.0180093611 -0.0201148129 -0.0043273727 -0.0361643791 0.0484620690 -0.0029764834 -0.0320959208 -0.0168651665 0.0003075478 -0.3334144551 0.0809359446 -0.0065143802 0.4644305535 -0.1277379221 0.0191843130 0.0332611642 0.0419873101 -0.0374129451 -0.2223956954 -0.1484632176 0.0214691709 -0.0482822887 -0.1185635254 -0.0502396085 -0.0565214783 -0.0149792262 0.0084094061 0.0526612205 0.1416689773 0.4250769404 0.0023972956 -0.1216317695 -0.2624080501 0.1003910341 0.0203338412 -0.0340289638 -0.1484327307 0.1046299351 0.0105526066 0.1341047183 -0.2261803472 0.0453344210 -0.0672317086 -0.0234373406 0.0285693227 0.1391175161 -0.1034804268 -0.0275880740 0.1524267257 0.0255167685 0.0201735330 -0.0974786628 0.2136268300 -0.1275907188 0.0066492175 -0.0060682025 0.0015196149 0.0262737842 -0.0010341562 0.0234912059 0.0191853998 -0.0353045603 0.0134601231 0.0157828301 -0.0160916163 -0.0014902557 0.0023247088 -0.0038112678 -0.0014852719 -0.0034194261 0.0083706817 0.0010287157 -0.0004320869 -0.0000642639 0.0156299789 -0.0041355301 0.0042897821 -0.0101155482 -0.0027854250 0.0047323992 0.0010423254 -0.0021142601 0.0002162653 -0.0144000304 0.0008533173 -0.0065671517 0.0145776009 0.0024081223 -0.0013393456 0.0000343024 -0.0153927220 -0.0052445775 0.0088147553 0.0117206691 0.0091399186 -0.0046787616 0.0020855950 -0.0027989464 -0.0011559407 -0.0034778115 0.0023191539 -0.0008998104 0.0109055082 -0.0107162808 0.0191347415 0.0017025553 -0.0014640065 0.0051183335 0.0083523658 -0.0109154328 -0.0091496629 -0.0047558993 0.0026085691 -0.0074325095 -0.0062644829 0.0127622779 0.0010778176 0.0002622951 0.0025649912 -0.0013586459 -0.0401848336 -0.0039662650 0.0074402384 0.0374090617 -0.0109484852 -0.0118307822 -0.0030879866 -0.0000181577 -0.0070894869 -0.0116114720 0.0121040809 0.0130219365 0.0285711124 -0.0221616969 -0.0178009587 -0.0031794864 -0.0045205927 -0.0024328480 0.0053135760 -0.0003194231 -0.0004450134 -0.0259395214 0.0058240232 -0.0018884341 -0.0203898356 0.0061804090 0.0007779940 0.0004490313 0.0051720339 -0.0007783320 -0.0179212213 -0.0075987895 0.0040773285 -0.0075503198 -0.0079953742 -0.0015587332 -0.0013910543 -0.0016878528 -0.0004050906 0.0033359649 0.0124735587 0.0221776635 -0.0024086433 -0.0119752325 -0.0176432340 0.0049921960 0.0010914081 -0.0010244904 -0.0096474678 0.0082442647 -0.0063898716 0.0092413321 -0.0144023530 0.0109523621 -0.0040275450 -0.0017533253 0.0012816927 0.0078986969 -0.0065581914 -0.0007787684 0.0079473881 0.0029516830 0.0004212566 -0.0054590993 0.0127994050 -0.0064623313 0.0011280824 0.0016414494 0.0025843015 0.0051104115 -0.0049467290 -0.0001987091 -0.0017894346 0.0238628555 0.0082064371 -0.0007596735 0.0026602934 0.0044994760 -0.0510731223 0.0886178421 0.0248756262 0.0786031668 -0.1871017256 -0.0068888881 -0.0110880798 0.0026878964 -0.2967188965 0.0908525432 -0.1140965252 0.2514413645 0.0524627769 -0.0831307120 -0.0343202792 -0.1546763824 -0.1535259132 0.4383965415 0.0113540934 0.1666848146 -0.3450686027 0.0172416562 -0.0026437663 -0.0256343102 0.2157882419 0.2011388575 -0.3073921008 -0.2159220450 -0.2095034705 0.2892575050 -0.0054148463 0.0195225561 0.0524666814 -0.0078497231 0.0027061392 -0.0167567675 -0.0755329951 -0.0170687436 0.0235480100 0.0412361501 -0.0073883007 0.0730302454 0.0695558771 -0.1770976549 -0.1395291999 -0.0303013636 -0.0088607895 -0.1493558816 -0.1206982808 0.1685927106 0.0475669527 -0.0360112614 0.0089044907 -0.0266811789 -0.4276141317 0.0580667801 0.1840805532 0.5355337800 -0.1236418677 -0.2242441560 -0.0495375288 0.0322907462 -0.0532876136 -0.1846745292 0.1438361720 0.1531120775 0.3194648074 -0.2313239171 -0.1809383559 -0.0006959646 0.0031845360 0.0023442659 -0.0007990838 -0.0007888106 0.0031266660 -0.0013737305 -0.0064020577 0.0027141823 -0.0085238018 0.0022357458 -0.0017382132 -0.0016588630 0.0006547010 -0.0019194777 -0.0064495337 -0.0013485886 0.0039499087 0.0147155219 0.0091428816 -0.0002527057 0.0001020107 0.0007514153 0.0009831392 0.0004679854 0.0006129218 0.0020300036 -0.0025976030 -0.0066104092 -0.0089404127 -0.0005416923 -0.0008245821 -0.0013238518 0.0072351759 -0.0068511526 0.0090910340 -0.0016735628 0.0016285566 -0.0048733064 0.0009910502 0.0013344381 0.0007054957 -0.0024235413 0.0034552267 -0.0031113962 -0.0005870253 -0.0034239871 0.0015416468 0.0002544484 -0.0038799132 -0.0009397568 -0.0030813085 0.0026405211 -0.0170766287 0.0056064900 -0.0012866249 -0.0000562667 -0.0248401346 0.0196728604 0.0067677408 0.0261536661 -0.0185247961 0.0385880459 0.0089442064 -0.0037622902 0.0002785460 -0.0048520916 0.0153159381 -0.0226536828 -0.0053911765 -0.0104920302 0.0212512253 -0.0151488046 0.0072586690 -0.0108739586 -0.0100453199 -0.0029894597 0.0027577696 0.0455942682 0.0377764528 -0.0608653116 -0.0060009553 -0.0073780356 0.0077957857 -0.0070372537 0.0016453232 0.0118374727 0.0289506935 0.0234296403 -0.0189744931 0.0186094291 0.0158258697 -0.0567436822 0.0031303105 -0.0081075425 -0.0008551053 -0.0014787301 0.0015883835 -0.0004706307 0.0115473422 0.0261301971 -0.0200611234 -0.0010033837 -0.0022450935 -0.0005044826 0.0009947376 0.0040496236 0.0051696156 -0.0063026579 0.0091170547 0.0058964268 -0.0019052669 0.0034436817 -0.0024515081 0.0053660391 0.0008266495 -0.0016452534 -0.0170505650 0.0012894771 0.0084561522 -0.0202000608 0.0001096080 0.0105539090 0.0058066413 0.0004302361 -0.0027640991 -0.0216500393 0.0109552869 0.0216089006 -0.0425955514 0.0168385596 0.0215913615 0.0120365354 -0.0254854400 0.0077897898 0.0042037592 -0.0032327285 -0.0361466695 0.3885754262 -0.0015579219 -0.0131503487 -0.3288781722 0.0391045862 0.0275458740 -0.0295554784 0.0185249671 0.0541036097 0.1763633702 0.1824720346 0.0201840927 -0.2092218641 -0.0654778603 0.0394482506 0.0350682466 -0.0268890153 -0.0416423877 0.0716285802 0.2256040745 0.2028161241 -0.0380238396 -0.0744039367 -0.0256846441 0.0367784944 0.0163037722 0.0198276764 -0.1742246153 0.1932101896 -0.3069973183 0.1308639533 -0.1869634324 0.3190346779 -0.0539235115 -0.0334711919 -0.0048879282 0.1112797367 -0.1146695037 0.0470147121 0.0732257044 0.0735462899 -0.0225647880 -0.0499293429 0.1539010891 -0.0278118444 -0.0013829762 0.0035775479 -0.0053834602 -0.0151744564 0.0107547233 -0.0086316334 0.0408125231 -0.0406366598 -0.0240023107 -0.0038920190 0.0026351917 -0.0024516298 0.0192453194 0.0048533399 0.0068593221 -0.0028100102 0.0167614009 -0.0807216767 -0.0176543594 -0.0350022254 0.0007244201 -0.0335432863 0.0115086009 0.0017057936 -0.0276547223 -0.0218031168 0.0099691002 0.1007821063 0.0819813478 -0.1067602851 0.0378685388 0.0327191987 -0.0710690803 -0.0234296737 -0.0079546835 0.0245619152 0.1421441401 0.0907277884 -0.1225077116 0.0543141018 0.0588779637 -0.0762584662 0.0067239470 0.0079397604 0.0019749491 0.0045409173 -0.0048378089 -0.0000671485 -0.0494430238 0.0223212122 -0.0700336800 0.0040128088 -0.0016251422 0.0069772640 0.0051091859 -0.0153813790 -0.0101990203 -0.0060495244 0.0035787560 -0.0132537376 -0.0129618707 0.0185883771 0.0037025682 -0.0008455751 0.0007734281 -0.0034892018 -0.0539629102 0.0066988914 0.0238746253 0.0463854145 -0.0097288942 -0.0199920175 -0.0047911017 0.0072812877 -0.0051244842 -0.0443982497 0.0240979044 0.0334718829 0.0124470916 -0.0189330238 -0.0058663934 0.0094573476 -0.0048090077 0.0079711583 -0.0059034723 0.0031193188 -0.0173325194 0.1867346271 -0.0231078192 -0.0081990180 -0.0687649004 -0.0036937267 0.0232076808 -0.0106706132 0.0008378515 0.0228357304 0.0883340367 0.0756583308 -0.0002713597 -0.0830606277 -0.0235420297 0.0167197142 0.0133236515 -0.0096862575 -0.0174361175 0.0260510441 0.0789547007 0.0668860088 -0.0091809073 -0.0105328394 0.0128159312 0.0118652006 0.0065738950 0.0093314949 -0.0643152277 0.0740076911 -0.1203541995 0.0456424561 -0.0664204911 0.1179661242 -0.0193696899 -0.0126372273 -0.0032260993 0.0409097602 -0.0432400307 0.0211100847 0.0250249682 0.0284843934 -0.0098293485 -0.0161492581 0.0540715558 -0.0055782638 -0.0024229584 0.0007726479 -0.0114325229 -0.0137406371 0.0108951553 -0.0011441436 0.0347882959 -0.0428167100 -0.0174650417 0.0052205694 -0.0071126233 0.0026697620 -0.0525237322 -0.0190042344 -0.0198071853 0.0039758262 -0.0393979515 0.2305259040 0.0521670978 0.1000932178 0.0133781895 0.0926084974 -0.0278035456 -0.0171747860 0.0799289640 0.0647190606 -0.0294550341 -0.2615442666 -0.2136197569 0.2725481248 -0.1278230092 -0.1108120073 0.2309660442 0.0551336703 0.0269108844 -0.0667438358 -0.3723671775 -0.2825347420 0.3757765518 -0.1485997932 -0.1474979632 0.2019773635 -0.0264899595 -0.0228659585 -0.0083834975 -0.0023702847 0.0082405735 0.0042947244 0.1332448295 -0.0164278548 0.1428361391 0.0019038568 -0.0002478163 0.0006814773 -0.0021314713 -0.0030224281 -0.0009267674 0.0000357337 -0.0001443979 -0.0040367696 -0.0034899481 0.0028291750 0.0014249749 -0.0025905891 0.0009976097 0.0002460796 -0.0048639265 -0.0017745694 -0.0023703009 0.0118126084 -0.0052791163 -0.0031682751 -0.0005027610 0.0019613227 -0.0008967516 -0.0182366069 0.0076701353 0.0135407786 0.0048086366 -0.0012979504 -0.0026018972 0.0051693632 -0.0011684325 0.0059359453 -0.0163303749 0.0012496118 -0.0005395955 0.0522485626 0.0064234810 0.0049972468 0.0668616337 -0.0130381517 -0.0094690176 0.0020938578 -0.0050128492 0.0018642780 0.0250739447 0.0102078588 -0.0061102248 -0.0041187826 0.0014173885 0.0012709540 -0.0005938607 -0.0013167003 -0.0019922166 0.0001879281 -0.0007248054 -0.0002109475 0.0049100546 0.0142475021 0.0189181999 -0.0007806491 0.0008366135 0.0003459334 -0.0013654349 -0.0001266522 0.0051566265 -0.0019056852 0.0040360434 -0.0024436809 0.0004152413 0.0003701091 -0.0009458705 0.0012514089 -0.0008395675 0.0031685505 -0.0008414281 -0.0013076949 -0.0004767294 0.0016160915 -0.0041828948 0.0034532744 -0.0017097914 -0.0005475025 -0.0076876884 -0.0021409977 0.0076269696 0.0025206946 0.0048819320 -0.0209508514 -0.0045470968 0.0016367163 -0.0024463668 0.0006506030 -0.0029626146 0.0355191166 0.0153198010 0.0050209467 -0.0065045772 -0.0560301018 -0.0034567368 -0.0048936877 -0.1085543325 -0.0131095000 -0.0245923215 0.0930364658 -0.0298049753 0.0271647423 0.0136134866 -0.3044276953 -0.2044156165 0.2302200110 0.3953002770 0.2465503824 -0.3405577847 0.0003431489 -0.0650826155 0.0191858038 -0.2529612906 -0.1565948583 0.1687947816 0.3695046159 0.3021690535 -0.2820430703 0.0028524965 0.0004458992 -0.0275046586 0.0131099793 -0.0104252988 0.0097995495 -0.0283644405 0.0272996131 -0.0956966904 -0.0007851833 0.0000078803 -0.0009730845 -0.0013844233 0.0023367458 0.0017384760 -0.0007835461 0.0007625706 0.0004010011 0.0028020779 -0.0018631762 -0.0018328999 -0.0003235633 0.0004604278 -0.0026402524 0.0197543452 0.0053465809 -0.0051401865 -0.0230807766 -0.0021125975 0.0092403311 0.0009424693 -0.0007784648 0.0019265546 -0.0234310221 -0.0031589439 0.0087105052 0.0270880143 -0.0012018699 -0.0139088222 -0.0002240632 0.0001383339 -0.0005783177 0.0301125263 -0.0036341749 -0.0182571175 0.0467846012 0.0534600314 -0.0133667530 -0.2479731089 0.0554453339 -0.0180284768 -0.0401266313 0.0279858374 -0.0094876085 0.1953332764 0.2876151969 0.1274704160 -0.2019516408 -0.1737193531 -0.0255956018 -0.0018847955 -0.0336386913 0.0439796313 0.0514791873 0.1411419622 0.3228407911 -0.1374178848 -0.3123373898 -0.2673446187 0.0096389459 0.0016822087 -0.0615240055 0.1578906023 -0.2102788158 0.4651091956 -0.0396438803 0.0451218470 -0.2391921185 0.0199707892 0.0397513497 0.0190369047 -0.0182135240 0.0692237148 -0.0671436873 0.0177128152 -0.1211347858 0.0466786573 0.0059181860 -0.1228321979 -0.0148665378 -0.0003505530 0.0002031386 0.0032730072 -0.0036380452 -0.0095243259 -0.0036730820 0.0135994340 0.0008730789 -0.0038593586 0.0000275482 0.0010911070 0.0009911087 -0.0012917781 -0.0003565936 -0.0002880901 -0.0003942846 0.0002084895 0.0055498713 0.0018087358 0.0031525693 -0.0001097694 0.0018087481 -0.0011625941 0.0006358285 0.0014712645 0.0027973489 -0.0007217933 -0.0121878312 -0.0088718062 0.0095541519 0.0026938818 0.0005073908 0.0021650563 0.0008196016 0.0008411084 -0.0012282996 -0.0145434496 -0.0162590793 0.0213631154 0.0055273499 0.0056409765 -0.0047539503 -0.0030358055 -0.0020980289 0.0000600605 0.0021346807 -0.0009993399 0.0005827396 0.0033877766 0.0180071980 -0.0140178893 -0.0083370238 -0.0379272536 0.0165749179 0.0620676724 0.0182219283 0.0453742943 -0.0978184097 0.1335006519 0.0717896759 -0.0622601642 0.1080239504 -0.0278099819 0.0973292475 0.0071014902 -0.0015634642 -0.5876060598 -0.0399638249 0.2190272564 0.0357357145 0.0422967864 0.0090082267 0.0152564919 0.0121258287 -0.0391767777 0.1868005587 0.0482695170 -0.0524505773 -0.5930946183 0.0291816976 0.3183714870 0.0011385476 0.0003312113 0.0124626914 -0.0154577215 0.0040446207 -0.0087284640 0.0329095496 -0.0008581995 -0.0060172146 0.1186155891 -0.0359631231 0.0199983928 0.0063723613 -0.0031449328 0.0008324220 0.0306498882 0.0142946439 -0.0060380336 -0.0376477163 -0.0303897941 -0.0041811754 -0.0057110154 -0.0055097878 0.0019690681 -0.0021332476 -0.0048037906 0.0144561810 0.0034577597 0.0097410924 0.0181986634 -0.0018947159 0.0021594894 -0.0048835935 0.0187779555 -0.0254233338 0.0626665997 -0.0136676627 0.0182402358 -0.0444130076 0.0049226796 0.0044416323 0.0001156683 -0.0053996174 0.0089733651 -0.0010129836 -0.0030679859 -0.0132438429 0.0033876814 0.0059398167 -0.0205193827 0.0063287824 0.0008119512 -0.0018526770 -0.0071741744 -0.0080589095 0.0161581127 0.0074004130 0.0490558812 -0.0691612245 -0.0159240772 -0.0112658845 -0.0099996486 -0.0212098500 0.0004462101 0.0000553220 -0.0003417573 0.0000647937 0.0001663074 -0.0019222714 -0.0002095877 0.0005618094 0.0028661190 0.0010732334 -0.0010065062 0.0009966329 0.0002645493 -0.0012927055 0.0001738074 0.0063668954 0.0038932465 -0.0052403273 -0.0048392912 -0.0008316798 0.0004564233 -0.0010406892 -0.0010663967 0.0030295905 0.0028758431 0.0150731860 -0.0164685140 -0.0073438235 -0.0116237516 -0.0106269783 0.0014672872 0.0036710231 -0.0011443898 0.0002392958 -0.0007282126 0.0004367087 -0.0094791446 -0.0106526134 0.0008440200 0.0128246119 0.0401820672 0.0068000147 0.0026135492 -0.0662327072 -0.0973788861 0.1192652704 -0.1626355743 -0.0563825284 0.0245900949 -0.0834824027 0.0636309475 -0.0692923497 -0.0186668821 0.0685619390 0.0861134597 -0.1041922631 -0.0881149341 0.4967586204 0.0281941316 -0.2183506398 -0.0222330601 -0.0326252336 -0.0081320283 0.6454750124 -0.0452536638 -0.3041872025 -0.1737282163 0.0663465783 0.0528324921 0.0047746105 -0.0053622026 -0.0018217884 0.0236514047 -0.0063294672 0.0084661830 -0.0575735367 0.0135559428 0.0051102742 -0.1491493108 0.0442383331 -0.0249176382 -0.0085904671 0.0062208577 -0.0030874702 -0.0282547691 -0.0026195877 0.0142733965 0.0268383411 0.0150685571 0.0007264700 0.0056258708 0.0053889300 0.0033684784 0.0036208119 0.0043987319 -0.0025592132 -0.0149212776 -0.0350899927 -0.0422195788 0.0022463753 -0.0031456382 0.0005198212 -0.0113060378 0.0114422358 -0.0327486034 0.0106883631 -0.0098156878 0.0275031830 -0.0029388049 -0.0019152286 0.0015235663 0.0021393466 -0.0028703915 -0.0056039846 0.0023628727 0.0067320686 -0.0003915013 -0.0056182818 0.0124939230 -0.0089722471 0.0019454017 -0.0006237224 0.0147481405 0.0045136689 -0.0157610360 -0.0094282753 -0.0324886406 0.0472650530 0.0066375471 -0.0242399305 0.0414602862 -0.0204635716 -0.0017672253 0.0000726195 -0.0007501239 0.0000670476 0.0001375830 0.0083860310 0.0019005866 0.0040958339 -0.0006148651 0.0017574992 -0.0028473887 0.0029541238 0.0016694133 0.0033256448 -0.0005287723 -0.0173339907 -0.0125509963 0.0150997312 0.0070786551 0.0028036892 -0.0003825246 0.0012686682 0.0005592007 -0.0024675440 -0.0202676172 -0.0222568901 0.0288395674 0.0102286570 0.0116897456 -0.0013157741 -0.0018224851 -0.0039608858 0.0012710745 0.0011824171 -0.0004204230 0.0000692874 0.0003801810 0.0211756165 -0.0177956858 0.0035921753 0.0194794148 0.0002897615 -0.0072547122 -0.0281175360 -0.0455698001 0.0513485509 -0.0749685924 -0.0342695068 0.0280030865 -0.0493371261 0.0230603007 -0.0398277452 -0.0047018443 0.0173400773 0.1455909085 -0.0160418905 -0.0676899122 0.1252891135 -0.0077361134 -0.0579404389 0.0022231134 -0.0130520463 -0.0043466169 0.0648340036 0.0156775443 0.0034052314 0.0367412812 0.0432105727 -0.0406611716 0.0330771193 -0.0478127135 0.0165673376 -0.1319809678 0.0517010306 -0.0318606714 0.4278324398 -0.0883036114 -0.0129014442 0.5596233199 -0.1345200138 0.0722234559 0.0284045043 -0.0342378513 0.0267913653 0.2096231398 0.0923049883 -0.0409881358 -0.1208477574 -0.0022977277 0.0156025701 -0.0212964810 -0.0505984996 -0.0397492249 0.0089570302 0.0793957357 0.1244687617 0.0672912665 0.1792060634 0.2592477243 -0.0095348948 0.0251924385 -0.0217991344 0.0519200058 -0.0812322001 0.2672395011 -0.0178325027 0.0223946366 -0.0464414536 0.0010539271 0.0247733058 -0.0098764514 0.0581274388 -0.0153572895 0.0585239041 0.0403630795 -0.1076679143 0.0178659585 0.0241286453 -0.1192783355 0.0752655805 -0.0045760156 0.0050672555 -0.0206969627 0.0035050949 0.0279232751 0.0254966896 0.0680824994 -0.0978807455 0.0001641827 -0.0131576251 0.0192743163 0.0011771909 0.0002639189 -0.0022785029 0.0024020673 -0.0016054288 -0.0028134809 -0.0128546562 0.0029271807 -0.0028830773 -0.0064202828 0.0043880327 0.0108768624 -0.0159149649 0.0023463971 -0.0078619959 0.0011694084 0.0496698665 0.0340248516 -0.0300019911 -0.0270922556 -0.0159152246 0.0164833237 -0.0072925452 0.0019422728 -0.0024590892 0.0626616007 0.0307013526 -0.0504159067 -0.0464958119 -0.0291973445 0.0580063351 0.0057143397 0.0184265760 0.0054954147 0.0026910251 -0.0062783371 -0.0009602361 -0.0826014359 -0.0268305968 -0.0313404021 -0.0010042096 -0.0056248159 -0.0005804427 0.0015352200 0.0102945501 0.0157294789 -0.0142047817 0.0221108938 0.0118333632 -0.0102180757 0.0150981431 -0.0066564503 0.0122597692 0.0006835202 -0.0048103283 -0.0407665204 0.0032375545 0.0185697217 -0.0360802651 0.0031187913 0.0165635353 -0.0034525900 0.0018633584 0.0034809477 0.0125435593 -0.0148312757 -0.0234860192 0.0020401249 -0.0157272578 0.0049330669 -0.0169423435 0.0233365364 -0.0021341525 0.0521411891 0.0029612801 0.0271558093 -0.2771995505 0.0511348645 0.0093306386 0.0127503030 0.0610660071 -0.0815164558 -0.0956122426 -0.0661323918 -0.0058334844 0.1322177368 0.1368942001 0.0150147037 0.4237170726 0.3664401453 0.0507025329 0.0298889523 -0.0366213857 -0.0625041191 0.0568136597 0.2369287966 0.1686449798 0.0220917531 0.1334759971 0.2533340326 -0.0187583189 0.0347635421 -0.0555510544 0.0377536116 -0.0610738632 0.2096590302 0.1014497931 -0.1206418774 0.3448894307 -0.0346442805 0.0316922338 -0.0059347996 0.1752728553 -0.0828794904 0.0831056368 0.1565898795 -0.1751174267 0.0395916373 0.0008805854 -0.1388979960 0.1098565541 0.0030257948 -0.0023501798 0.0055948582 0.0107681688 -0.0208354361 -0.0051055191 -0.0507467288 0.0521176587 0.0149476984 0.0027794264 -0.0027056630 -0.0006905347 0.0025022009 0.0021579500 0.0005651443 0.0004045570 0.0019372397 -0.0108748764 -0.0034986688 -0.0064761819 -0.0062997331 -0.0072822367 0.0023014829 0.0014472921 -0.0070443692 -0.0032630795 0.0052570953 0.0020958778 0.0020994438 -0.0083374632 0.0225585294 0.0167007997 -0.0257801708 0.0075112229 0.0006651154 -0.0026585190 -0.0197664201 -0.0016856532 0.0058567466 0.0027993668 -0.0074698450 -0.0048075336 0.0015954784 -0.0087744947 -0.0061548583 -0.0095262372 0.0086697905 -0.0002184538 0.0791364477 -0.0339931654 0.0863830006 -0.0007844260 -0.0011129945 -0.0013534755 -0.0002140513 0.0053660453 0.0056614151 -0.0023699676 0.0052569681 0.0058778358 -0.0020933408 0.0013235320 -0.0019381869 0.0041853216 0.0001043948 -0.0008227441 -0.0060155142 -0.0035452121 -0.0012870279 -0.0206177144 0.0037236192 0.0080591178 -0.0022010914 0.0029243840 0.0016215553 -0.0071523513 -0.0063004181 -0.0082920872 0.0099587065 -0.0142951862 -0.0003542973 -0.0062577799 0.0031152690 -0.0113402971 0.0106940032 -0.0072737433 0.0058981911 -0.0440287594 0.0433160048 0.0084393206 -0.0003172479 0.0149573497 -0.0332800600 -0.0038575323 -0.0017447021 -0.0002084142 -0.0203919124 -0.0170588973 -0.0034322410 0.0380957389 0.0295188507 0.0041824572 -0.0001018683 -0.0052638671 -0.0094160150 0.0047687943 0.0145773677 0.0172451355 0.0058961701 0.0285024354 0.0437134174 -0.0014703705 0.0042722549 -0.0054683322 0.0010777937 -0.0060013298 0.0279005956 0.0105573430 -0.0117215339 0.0362635958 -0.0054332319 0.0053118829 -0.0024352482 0.0279498098 -0.0135063509 0.0162572283 0.0247514007 -0.0269038437 0.0047099426 0.0018434194 -0.0234439282 0.0217694830 0.0017386410 0.0001223462 0.0077416470 -0.0053717948 -0.0000880205 -0.0019166103 0.0108566875 0.0094294834 -0.0002637490 0.0027026469 -0.0027888004 0.0011373317 -0.0183747837 -0.0035165131 -0.0460221415 0.0451221011 -0.0296697746 0.2609630274 -0.0393097607 0.0632697521 0.2162485615 0.0387943059 -0.1503510286 0.1372887333 0.0633553362 0.0467800201 -0.0692189099 -0.1443547474 -0.1003070892 0.1770495431 -0.2103226826 -0.1644845074 0.2549646178 -0.0508868371 -0.0219180890 0.0684540927 0.0774746365 0.1221930185 -0.1280261851 0.0860683457 0.0870828092 -0.2061863110 -0.0111488133 0.0227032427 0.0364143677 0.0464316372 -0.0403797022 -0.0034312552 -0.3641475722 0.2948502641 -0.5235622699 0.0054261857 -0.0054061863 -0.0030777832 -0.0174192444 0.0087076648 0.0226386049 -0.0118810206 0.0282196136 0.0098784580 -0.0271776094 0.0145803623 0.0016576833 0.0009328233 0.0004876057 -0.0001726638 -0.0095650907 0.0028154436 0.0060038679 -0.0041896493 0.0040511223 0.0004431403 -0.0022721204 0.0032876024 0.0019365997 -0.0043448716 -0.0075728977 -0.0114641437 0.0036548433 -0.0149722148 0.0042428728 -0.0053409929 0.0077271151 -0.0059000459 0.0131851808 -0.0323775002 -0.0050945473 0.0239151102 0.0076364290 0.0015690600 -0.2653451335 0.0061180221 0.0323682442 0.0941043550 0.0737319896 0.0098995821 -0.3156449380 -0.2556263422 0.0396321694 -0.2914347576 -0.1446048320 -0.0232681776 -0.0192356992 -0.0167378088 -0.0051401971 -0.0282384308 -0.1606253784 -0.0879040438 0.0083435351 0.0943868938 0.1676675936 -0.0098437064 0.0172957296 -0.0286599323 0.0489948395 -0.0523475829 0.1159077614 0.0417066958 -0.0894950849 0.1453297996 -0.0538096523 0.0684568906 -0.0393745594 0.2987185517 -0.1367881306 0.2092443000 0.2403095547 -0.3218053798 0.0425705685 0.0285416406 -0.2888334989 0.2548945839 0.0006728925 -0.0008278612 0.0050552996 -0.0062104376 0.0002905735 -0.0091193536 -0.0000915737 0.0143366514 -0.0098290937 0.0039231689 -0.0046135011 -0.0002130281 -0.0005481961 -0.0045534375 0.0166821603 -0.0219818614 0.0111000312 -0.0705895334 0.0294665611 -0.0013935294 -0.0678251865 0.0049881518 0.0491293176 -0.0521141335 -0.0054669923 -0.0035063408 0.0090722463 0.0141631808 0.0074125852 -0.0245003645 0.0221935950 0.0221369880 -0.0295647920 0.0078138820 0.0103542243 -0.0152697618 -0.0392984086 -0.0494460510 0.0648254845 -0.0218963729 -0.0127121322 0.0359488894 -0.0069382136 -0.0052501261 0.0093989269 0.0071065005 -0.0038509361 -0.0009456414 -0.0326733520 0.0580664004 -0.0678133130 0.0037142724 -0.0022841378 -0.0024744561 -0.0133308563 0.0037236658 0.0119144307 -0.0046034170 0.0136467586 0.0039943621 -0.0138149736 0.0039780377 0.0024128543 -0.0021470754 0.0005438703 0.0025211703 0.0007445915 -0.0025379520 -0.0023561235 0.0037515118 0.0054620232 -0.0033529302 0.0019445708 0.0038959093 -0.0014234012 -0.0266629244 0.0017513388 0.0076933895 -0.0154216490 -0.0101909983 0.0135656056 -0.0019247457 0.0027316300 -0.0043980558 0.0148378854 0.0001042950 0.0036514204 -0.0609617157 0.0133475840 0.0003862843 0.0492108727 0.0019037599 -0.0103654831 -0.0236369655 -0.0147633143 -0.0019068736 0.0420307784 0.0328361805 -0.0173899873 0.0918832088 0.0429444897 0.0076309381 0.0026881492 0.0006181672 -0.0068033806 0.0115812445 0.0418755908 0.0384473204 -0.0011274040 -0.0021833524 -0.0084529278 0.0023436912 -0.0015168902 0.0064503902 -0.0087508923 0.0109439190 -0.0167846302 -0.0071138643 0.0126975849 -0.0241427502 0.0092017849 -0.0136752673 0.0070472498 -0.0560009263 0.0246353503 -0.0405877756 -0.0385599245 0.0648029123 -0.0087773113 -0.0037779834 0.0573263657 -0.0421206252 0.0002935718 -0.0002447816 -0.0000750271 -0.0136008481 0.0072533306 0.0014616303 0.0336389746 -0.0186539359 -0.0070011295 0.0042021475 -0.0059620877 0.0006988804 -0.0053838783 -0.0222235063 0.0705057536 -0.0924185088 0.0406606425 -0.2921255334 0.1286372858 -0.0008651111 -0.2839389756 0.0328208796 0.2108166035 -0.2301693690 -0.0146309571 -0.0174828975 0.0328550433 0.0884667535 0.0532177060 -0.1013067159 0.0558963869 0.0609243481 -0.0821359187 0.0299463461 0.0479049957 -0.0565542548 -0.1768328017 -0.1380623457 0.2018858803 -0.1615266040 -0.1277787442 0.1459183347 -0.0292487382 0.0024621623 0.0618516412 0.0451986737 -0.0343723832 -0.0083896719 -0.3380988327 0.3233803516 -0.4824903395 0.1063420164 -0.0785640939 -0.0631914813 -0.3519992040 0.1349900229 0.3813927981 -0.1693797446 0.4753995382 0.1812385621 -0.5096050641 0.2003990842 0.0743404638 -0.0297254168 0.0039994377 0.0136903662 0.0728963467 0.0418085103 0.0096358865 0.0615626138 0.0580227861 -0.0536955245 -0.0286629810 -0.0068652239 0.0158489825 0.1565266227 -0.0558718612 -0.1231141564 0.1297993380 -0.0399965056 -0.0696266964 0.0023002253 -0.0027834392 -0.0056115135 -0.0104687501 0.0044269639 0.0001308963 0.0456454494 -0.0075911188 0.0021228165 0.0077384693 0.0027800109 -0.0041122315 0.0018812193 -0.0005918743 0.0037836388 0.0075172126 0.0033478837 0.0003158655 -0.0057048626 0.0116042234 0.0040894988 -0.0040969249 -0.0061886848 -0.0083921517 0.0033925359 0.0247076160 0.0297444955 0.0108287939 0.0170562164 0.0127876476 0.0025158630 -0.0002313614 0.0062963466 -0.0045846294 0.0031796235 0.0056099177 -0.0114974497 0.0160109745 -0.0398778280 0.0055946850 -0.0048890941 0.0013074129 -0.0276099936 0.0123903146 -0.0100733394 -0.0230916756 0.0234913063 -0.0046306743 0.0006706117 0.0221643724 -0.0165170520 0.0006544469 0.0001108601 0.0064785210 0.0070633346 -0.0081460108 -0.0023176191 -0.0201718671 0.0275899097 0.0081670882 -0.0006299080 0.0137939514 -0.0018995378 0.0000649231 0.0005194640 -0.0022657625 0.0026541879 -0.0001982346 0.0109962612 -0.0034812267 0.0000868663 0.0076079419 -0.0024834210 -0.0065588079 0.0069439067 0.0006560550 0.0003422237 -0.0007475207 -0.0006132684 -0.0001322221 0.0026883679 -0.0012157899 -0.0021506994 0.0029292897 -0.0018524152 -0.0010434642 -0.0003342469 0.0140513957 -0.0034230095 -0.0002705775 0.0057187552 0.0097083182 0.0077877024 0.0014427204 -0.0003335054 -0.0008894960 -0.0017498750 0.0008758515 -0.0002265388 0.0081067125 -0.0085606307 0.0127712149 0.0002031063 0.0006182543 0.0003759372 -0.0004244272 -0.0032511448 -0.0038672627 0.0011973945 -0.0029823907 -0.0031732779 0.0031370097 -0.0030402317 0.0009505099 -0.0027228716 -0.0001948682 0.0010709968 0.0065190614 0.0042684891 0.0023752699 0.0054293954 0.0047900672 -0.0055761070 0.0038779645 0.0011374410 -0.0017191085 -0.0230270499 0.0036133310 0.0125502633 -0.0174671122 0.0006004980 0.0113206353 -0.0001029282 0.0019594631 0.0030808557 0.0087009355 -0.0043344913 -0.0008117303 -0.0123196439 -0.0106509456 -0.0026021326 -0.0338870494 -0.0030202765 0.0178237076 0.0053639800 0.0077035977 0.0059085190 -0.0400591891 -0.0332786268 -0.0031729128 -0.0030107213 0.0124056989 0.0060038419 -0.0082981253 -0.0129910357 -0.0183633683 0.0068365280 0.0335200847 0.0533518584 0.0163333331 0.0425725193 0.0483744210 0.0024055360 0.0031035860 0.0072526683 0.0027565489 -0.0013070649 0.0240449605 -0.0145132967 0.0117006865 -0.0489913879 0.0052979996 -0.0044472107 -0.0000236029 -0.0281145329 0.0119811957 -0.0050173219 -0.0149214699 0.0196549192 -0.0045004139 0.0045410543 0.0218684089 -0.0053901247 -0.0004865490 -0.0004224733 -0.0030237257 -0.0058414726 0.0046138761 -0.0016229244 0.0128942823 -0.0103282249 -0.0069426111 0.0018121222 -0.0032893507 -0.0001246610 0.0329299944 0.0508214349 -0.1220235366 0.1579238726 -0.0320650105 0.3985799007 -0.2414616396 -0.0738803638 0.3625342829 -0.1563220040 -0.2904632659 0.3315486153 -0.0599543907 -0.0523778458 0.0862105998 0.1946658493 0.1557038267 -0.1168978160 0.2523463192 0.1201460393 -0.1804447698 0.0348059176 0.0388542705 -0.0660397216 -0.1455765176 -0.1274817067 0.1598592483 -0.1293283384 -0.1041179951 0.1424613364 -0.0118408333 -0.0067694733 0.0295827036 0.0136051329 -0.0080763909 -0.0047571102 -0.0985570118 0.1103455914 -0.1414617259 -0.0116214063 0.0049349309 0.0066185124 0.0384230000 -0.0060017695 -0.0282607970 0.0100119471 -0.0385803658 -0.0134361393 0.0459351262 -0.0078099217 -0.0130382343 0.0120087939 -0.0016713410 -0.0056179500 -0.0372790329 -0.0005540032 0.0153686903 -0.0314392999 -0.0021449826 0.0145067548 -0.0049393186 0.0036947434 0.0037127115 0.0134714374 -0.0144404246 -0.0280835553 0.0161325649 -0.0201071153 -0.0010129967 -0.0058982349 0.0106856286 -0.0096468951 0.0282950502 -0.0301766912 0.0038957344 0.0137925829 0.0286319206 0.0112667019 -0.2722207093 0.0371304686 -0.0050934373 0.0396028587 0.0492272193 0.0415799749 -0.2497823115 -0.1970938974 0.0128092662 -0.0380619191 0.1274510715 0.0454953154 -0.0563297496 -0.0933844716 -0.1284537810 0.0456070592 0.2620260704 0.3762713038 0.1256830023 0.2934332442 0.3210969432 0.0192125312 0.0179144732 0.0511230095 -0.0088356368 -0.0026740008 0.1753635387 -0.1014168778 0.1137652793 -0.3484259389 0.0420156216 -0.0333470917 0.0022703828 -0.2117754875 0.0913440372 -0.0390857810 -0.1381948584 0.1462639160 -0.0330027312 0.0255723612 0.1632790701 -0.0688850451 0.0007837830 -0.0011471056 0.0109486592 0.0021416939 -0.0100828894 -0.0132793524 -0.0405832880 0.0504424033 0.0007569539 0.0012049752 -0.0012539580 0.0001251946 -0.0040804740 -0.0062510645 0.0153360290 -0.0203234297 0.0051813939 -0.0497987375 0.0307781784 0.0103610180 -0.0444572867 0.0194997006 0.0352051913 -0.0396610021 0.0072002312 0.0085725983 -0.0113691254 -0.0355956119 -0.0283635508 0.0175266469 -0.0296802139 -0.0113506272 0.0192173166 -0.0041657133 -0.0062688473 0.0085569582 0.0180008992 0.0053969202 -0.0081395559 0.0329363688 0.0283955786 -0.0247758202 0.0009987337 -0.0044370777 -0.0078517058 -0.0045716206 0.0044770433 0.0013670308 0.0530529551 -0.0234960373 0.0515196661 -0.0062228531 0.0004604016 0.0030661521 0.0200463674 0.0048482987 -0.0037896978 0.0007088960 -0.0128299701 -0.0026100927 0.0164372356 0.0067569964 -0.0105933379 0.0129479549 -0.0029814441 -0.0065447451 -0.0357795820 0.0039958565 0.0205589493 -0.0372920686 0.0039109012 0.0129119069 -0.0114207943 0.0020883086 0.0066390739 0.0480212959 -0.0194935784 -0.0467779805 0.0477709539 -0.0208238178 -0.0209758945 0.0001502777 0.0035876825 -0.0080482408 -0.0038685394 0.0160392525 0.0022795452 -0.0120733584 -0.0329389296 -0.0045397562 0.0702744610 -0.0038671180 0.0128172298 -0.0364235392 -0.0321651908 -0.0024667788 0.0829060737 0.0811707854 0.0236886962 0.0988132361 0.1425887316 0.0124547881 -0.0153128150 0.0255409625 -0.0268903638 0.0486698312 0.0814963653 0.1939200872 -0.0349396151 -0.0836006725 -0.2052182861 0.0513320663 -0.0588749885 0.1295059986 -0.0388753348 0.1072204965 -0.3418985153 -0.1456222870 0.1326677085 -0.5399784877 -0.0397481775 0.0567020678 -0.0845063754 0.1262703523 -0.0775621631 0.2862785208 0.1804357360 -0.2378168799 -0.0219181917 0.0839859105 -0.1424143268 0.3419681177 -0.0006088167 -0.0009023256 0.0080027519 0.0104386824 -0.0126025267 -0.0008176476 -0.0256936840 0.0325782427 0.0127790514 -0.0017987926 0.0044390706 0.0006053026 0.0000938315 0.0001649985 -0.0006111940 0.0004994651 -0.0001460595 0.0005653352 -0.0005848192 0.0006254122 0.0025177049 0.0007480718 -0.0014988332 0.0013869792 -0.0004018080 -0.0003850121 0.0009326200 0.0019360555 0.0011270261 -0.0022669316 0.0016658063 0.0015400243 -0.0018084007 0.0003962649 -0.0001982434 -0.0003033194 -0.0044951927 0.0021027173 -0.0021305908 -0.0027521194 -0.0036333463 -0.0000663891 0.0007132490 0.0016090671 0.0006900643 -0.0000669563 -0.0005571469 -0.0002882772 -0.0073718688 -0.0012108161 -0.0032089682 0.0424489320 0.0008902551 -0.0195476563 -0.1464722137 -0.0635161407 -0.0070460947 -0.0057309468 0.0913210176 0.0153017630 -0.0966347227 -0.0851671391 0.0884108718 -0.1005275509 0.0253294285 0.0531169530 0.2696177419 -0.0303210220 -0.1551241474 0.3002360574 -0.0250047457 -0.1048754274 0.1101080665 -0.0191139566 -0.0659908493 -0.4266160737 0.1355085596 0.3648448707 -0.4358535077 0.1340102502 0.2066099934 0.0037745556 -0.0115830364 0.0232231586 0.0484200770 -0.0196700797 -0.0051174895 -0.1842572230 0.0220553979 -0.0141409793 -0.0363338406 -0.0223288696 0.0443022329 -0.0126029098 0.0041309653 0.0006333631 -0.0345928476 -0.0241374553 -0.0258774252 0.0636393256 0.0084048244 0.0053915327 -0.0042734793 -0.0026876694 -0.0134373985 0.0132628373 0.0288112554 0.0612398350 -0.0073648951 0.0038064156 0.0018656507 0.0065304106 -0.0053616288 0.0171960244 -0.0010730581 0.0075682664 -0.0196956809 -0.0230879902 0.0242578604 -0.0868129534 -0.0038312038 0.0055919709 -0.0114068734 -0.0001198720 -0.0027754279 0.0336483764 0.0374085960 -0.0260849365 -0.0040004890 0.0180793107 -0.0056526636 0.0604530037 -0.0022447528 0.0023047608 -0.0248932676 -0.0431096113 0.0515268047 0.0178071242 0.1175329380 -0.1560467766 -0.0404299379 0.0030224485 -0.0248849753 0.0012640393 -0.0011443200 -0.0006526249 0.0018888617 0.0006735070 -0.0045218304 0.0027655934 -0.0004834282 -0.0030036737 -0.0053329714 0.0004187562 0.0042425704 -0.0049026477 0.0028146275 0.0024203903 -0.0085305692 -0.0060136072 0.0041333278 0.0265176766 -0.0045393372 -0.0220971282 0.0243796551 -0.0031326291 -0.0048595178 0.0093353171 0.0174026446 0.0320223992 -0.0388990609 0.0089972722 0.0011313876 -0.0245692801 0.0024078587 0.0029473733 -0.0070868926 -0.0024376924 0.0014303854 0.0016637877 0.0181173518 -0.0351632236 0.0388490115 -0.0005161082 0.0007648171 -0.0003785209 -0.0010364097 -0.0016279092 -0.0024699311 0.0004078354 0.0013015813 0.0044361518 -0.0015872526 -0.0054126302 0.0032666801 0.0019108840 -0.0040164729 -0.0013427171 0.0082289926 0.0156153876 0.0180031864 -0.0107155069 0.0244815989 -0.0106970122 -0.0041833246 -0.0007008521 0.0027382466 0.0201819691 -0.0014028007 -0.0081342572 0.0132610696 0.0033822084 -0.0091092171 -0.0016440254 0.0005375162 0.0087771185 0.0194728368 0.0495587190 -0.0300651666 -0.1642239585 -0.4915973794 -0.1002894508 -0.0812144594 -0.1688131720 0.4722408884 0.0112021025 -0.0176831820 -0.0218263673 -0.0462303155 0.0669355875 0.2755880845 -0.1676796510 0.2127568921 -0.0180190862 -0.0056058538 -0.0220499727 0.0212234726 -0.0854302099 0.2148873864 -0.1354257574 0.2186530716 0.0698437136 -0.1256438479 -0.0098260374 0.0176318665 -0.0012212965 0.1658805602 -0.0438771181 -0.0497725333 -0.0075332264 -0.2016394980 -0.0064985299 0.0054073841 -0.0017263410 0.0000908936 -0.0641106073 0.0158428245 0.0819280949 -0.0428542354 -0.0752290652 0.0150035431 -0.0047513224 0.0836943790 -0.0371590433 0.0006311720 -0.0004261175 -0.0049508280 0.0029000701 0.0020597136 -0.0001093125 0.0055699804 -0.0226792541 -0.0068105747 0.0004990752 0.0005971311 -0.0011213588 -0.0003102711 -0.0005505274 0.0013370730 -0.0046537652 0.0045801617 -0.0074782046 0.0060389664 0.0032601730 -0.0074444219 0.0001955183 0.0032012669 -0.0031415329 -0.0037867173 0.0005837750 -0.0029456375 0.0015472575 0.0191639291 0.0341218081 0.0323081359 -0.0169147068 0.0141739226 0.0136472399 -0.0012405387 0.0156411853 -0.1350098954 0.0833608450 -0.0599187281 -0.0330682650 -0.0874780024 -0.1263529080 0.0000977728 0.0031773091 0.0005276159 0.0017479068 -0.0020690703 -0.0002737698 -0.0103639377 0.0107918602 -0.0137451939 -0.0031811405 0.0006155352 0.0007324248 0.0049492214 0.0027398557 0.0003288970 -0.0021394566 0.0028343924 0.0098212736 -0.0040416374 0.0001596511 0.0009900319 0.0134633527 -0.0118948194 -0.0098499424 -0.0075691149 0.0407927894 0.0574301086 -0.0506870700 0.0539682939 -0.0154618461 -0.0271146967 -0.0151050113 0.0084989260 0.1359420520 0.0801284325 0.0699108384 0.0772577260 0.1306108023 -0.1061372850 0.0140094007 -0.0193398852 0.0154941054 0.0192979382 0.0202234477 -0.0158299153 -0.1129894763 -0.2426223684 -0.0521893544 -0.0512174190 -0.0898536427 0.2532317042 -0.0162162137 0.0284826831 0.0184330715 0.0353966721 -0.0554979094 -0.2824168141 0.1903250671 -0.2189933588 0.0153464455 0.0124144738 0.0262720274 -0.0356618451 0.1349610219 -0.3070369560 0.2201597460 -0.3412598138 -0.1093585513 0.2105198719 -0.0078286408 0.0090394687 -0.0010759825 0.0457615475 -0.0166943799 0.0195458079 -0.0135053502 -0.0226485660 -0.0203871431 -0.0089934814 -0.0149261258 0.0018697260 -0.0504053007 0.0307108692 -0.1374303463 0.1860479432 0.1170563549 -0.0184502895 0.0459115315 0.0373471807 0.1563015731 -0.0018240901 0.0016248038 -0.0146967102 -0.0179359006 0.0245391889 0.0090513812 0.0482222115 -0.0725064977 -0.0157212844 0.0010276910 0.0019094566 -0.0016953106 -0.0000482030 -0.0001866966 0.0013213587 -0.0050440530 0.0043345614 -0.0109432581 0.0056795742 0.0023511312 -0.0093879545 -0.0002056855 0.0041975236 -0.0039932035 -0.0079258970 -0.0021783346 -0.0041093384 0.0199154325 0.0502391681 0.0581961234 0.0644292284 -0.0338267876 0.0254926505 0.0226866209 -0.0005017383 0.0240501291 -0.2127997998 0.1366389417 -0.0993310369 -0.0718910508 -0.1586605866 -0.1891754969 0.0006787805 0.0076756050 -0.0057265096 0.0010759138 -0.0020015092 0.0013228836 0.0042195275 -0.0184087975 0.0172079195 -0.0037321513 -0.0091941564 -0.0024492770 0.0594719014 0.0746590464 0.0645321597 0.0172197443 -0.0269599197 0.0172791448 -0.0301617406 0.0908380779 -0.0419138114 0.0147523008 0.0239317277 -0.0059308570 -0.1074217224 -0.1468701975 -0.1483828054 -0.0101226997 -0.2146434808 0.1316949559 -0.0341833838 -0.0412100311 0.0026297488 0.2071373595 0.2381372023 0.2818340919 0.0575543714 0.3682743503 -0.2010063106 0.0062234680 -0.0086149063 0.0142453968 0.0176720557 0.0069201327 -0.0068559965 -0.1023020549 -0.1169858990 -0.0265712107 -0.0257730058 -0.0458243842 0.1268942844 -0.0044935468 0.0021713654 -0.0021854768 -0.0087014217 -0.0026799346 -0.0080281961 0.0262336218 -0.0006269560 -0.0002122481 0.0002618980 -0.0007206276 -0.0014089177 0.0019697305 0.0038901220 0.0077677791 -0.0035774047 -0.0006542430 0.0035966007 -0.0032764197 0.0045091483 0.0005649034 0.0437896856 -0.0129147173 -0.0081981053 -0.0059285533 -0.0449256612 -0.0117873829 -0.0014771080 -0.0029632396 -0.0007847051 -0.0260211852 0.0104682801 -0.0099944715 0.0389027909 0.0064993001 -0.0011230309 0.0113353792 0.0264873293 0.0352257187 -0.0020357947 0.0024272732 -0.0131412629 -0.0129564338 0.0180768898 0.0053926081 0.0379442150 -0.0494405962 -0.0125409174 0.0058098178 -0.0057179454 -0.0015674969 -0.0012523870 -0.0011950844 -0.0033416279 0.0002222640 0.0034304934 0.0053723243 0.0071702625 0.0216157513 0.0341674337 0.0227611947 -0.0211787207 0.0188191345 0.0168816737 0.0060896390 0.0097386612 -0.0570856620 -0.1259490183 -0.1355879926 -0.1527962038 0.0818261224 -0.0615348022 -0.0382900551 -0.0047437738 -0.0334216455 0.3489080400 -0.2046273997 0.1390316821 0.1361942398 0.2703015030 0.2847108323 -0.0019854338 -0.0062836303 0.0063501301 0.0013395616 0.0006059771 -0.0011735781 -0.0220855878 0.0179478330 -0.0241224650 -0.0025201645 -0.0007871024 -0.0013952822 0.0090692509 0.0069272637 0.0038187008 -0.0018603590 0.0150683016 0.0313980588 -0.0241253559 -0.0002949198 0.0078959491 0.0168351456 -0.0061568637 -0.0114903542 -0.0289211849 0.0103462629 0.0246357315 -0.0517469539 0.0108751622 0.0104661579 -0.0384808818 -0.0466892170 0.0018130905 0.2352821278 0.2611198980 0.3072921586 0.0614671192 0.3987814222 -0.2205538864 0.0058504924 -0.0115272585 0.0141285966 0.0093598870 -0.0353293584 0.0104911032 0.0345932616 0.2604975175 0.0442594945 0.0275035040 0.0698610271 -0.2207435756 0.0027377809 -0.0027311974 -0.0000477237 -0.0242545093 -0.0095027394 0.0419746989 -0.0386306192 0.0237792289 -0.0003141418 -0.0104256711 -0.0174635184 0.0167429717 -0.0761374138 0.1777504932 -0.1093115047 0.1942928795 0.0685384856 -0.1111524132 0.0082954326 -0.0096227788 0.0031594675 -0.0670726881 0.0197166765 0.0060811315 0.0060849886 0.0676471890 -0.0026100752 0.0034976621 0.0124568297 -0.0020721178 0.0659071222 -0.0299385876 0.0697033580 -0.1082224057 -0.0577078827 0.0079931437 -0.0288213368 -0.0642278811 -0.0885503373 -0.0016563486 0.0016961260 -0.0141748216 -0.0226874230 0.0277606227 0.0081373474 0.0532655314 -0.0683250510 -0.0193250370 0.0077017309 -0.0074235990 -0.0013888683 0.0009115684 -0.0000107988 0.0016048000 -0.0059910972 0.0075634248 -0.0096447270 0.0044461369 -0.0033757871 -0.0188053809 -0.0109876294 0.0083009839 -0.0070295425 -0.0116445991 -0.0057738537 -0.0042384495 0.0423721588 0.0830622587 0.0786613352 0.0946118136 -0.0491667119 0.0352804295 0.0313131093 0.0055534514 0.0269564256 -0.2809992396 0.1666660717 -0.1112280093 -0.1156091840 -0.2232787283 -0.2297371602 0.0012770896 0.0015339221 -0.0043127879 -0.0008005251 0.0003897465 0.0002464712 0.0188819823 -0.0087967449 0.0144573294 -0.0003733606 0.0013440666 0.0028764318 -0.0168535474 -0.0136218050 -0.0074723426 -0.0105672203 0.0033559138 -0.0218942470 0.0200842248 -0.0078207369 -0.0020464849 0.0021517346 -0.0083834852 -0.0021448014 0.0110141658 0.0418347656 0.0509392945 -0.0153228081 0.0572525527 -0.0287108434 -0.0013320085 0.0092620653 0.0036211786 -0.0112355215 -0.0494997211 -0.0731443458 0.0193526748 -0.0747045940 0.0226599147 0.0079276360 -0.0118430957 -0.0011958259 0.0125368638 0.0070366280 -0.0071656869 -0.0341881060 -0.0780838212 -0.0195388010 -0.0568639810 -0.0205328888 0.0913028337 -0.0303983666 0.0435896174 0.0387791002 0.0898152153 -0.0744573061 -0.4730165537 0.2872611875 -0.3950373588 0.0375706526 -0.0249057054 -0.0424915907 0.0269385983 -0.1440847398 0.3426873014 -0.1666111749 0.3523289322 0.1310447670 -0.1818514963 -0.0013686405 0.0020180693 0.0115135446 0.0585249599 -0.0230554568 -0.0021100450 -0.0270403426 -0.0443371688 -0.0729555813 -0.0136280394 0.0135455842 0.0082054522 0.1745316444 -0.0462906046 -0.1441646249 0.0411495889 0.1118480696 -0.0119107913 -0.0200421602 -0.2008008548 0.0074644789 -0.0011321708 0.0010027008 -0.0012682797 -0.0079026312 0.0099606937 0.0045786395 0.0124381074 -0.0256644143 -0.0029304827 -0.0022532995 0.0039391903 -0.0003009118 -0.0003808634 0.0003955236 0.0000451732 0.0030563393 -0.0066132709 -0.0005876465 -0.0034594225 -0.0014849258 0.0044942221 0.0055381217 0.0002763207 -0.0007354209 0.0014525867 0.0014794050 -0.0001237471 -0.0085486609 -0.0124955863 -0.0082627792 -0.0115826513 0.0058282993 -0.0039076366 -0.0054245130 -0.0019747061 -0.0037157577 0.0487568993 -0.0273181231 0.0170496407 0.0236758653 0.0405074782 0.0365906820 -0.0011074193 0.0015255054 -0.0015792521 0.0008660070 -0.0005561379 0.0009006547 -0.0005670864 -0.0056207477 0.0043058614 -0.0065847378 -0.0118832468 -0.0139323651 0.1859038669 0.1638192534 0.1014123569 0.1054323914 -0.1210373744 0.1006599768 -0.1028851084 0.1535156914 -0.0526548619 -0.0154882810 0.0349440886 0.0111856633 -0.0468566449 -0.2063491910 -0.2478372474 0.0794707928 -0.2850874910 0.1360010326 0.0112026275 0.0126179515 0.0011499899 -0.0692045361 -0.0564778026 -0.0612222278 -0.0086580469 -0.0811203454 0.0474407416 -0.0050826854 0.0065870093 0.0010680902 -0.0072549007 0.0035719890 0.0001052265 0.0317312515 -0.0073489355 0.0008193553 -0.0039616522 0.0031917339 -0.0022011065 -0.0012636133 0.0044861034 0.0047400876 0.0129035812 -0.0060941704 -0.0472852493 0.0218542278 -0.0394917140 0.0038521169 -0.0013616536 -0.0017407237 -0.0009015995 -0.0019066195 0.0059779281 0.0018455641 0.0054694724 0.0032276153 -0.0012287544 0.0017916536 -0.0008404120 0.0031192561 -0.0139932995 0.0068081981 -0.0001275697 -0.0018053699 0.0170213569 -0.0077731949 0.0001302679 0.0037886866 0.0025144650 0.0490080507 -0.0166877499 -0.0118338858 -0.0363609775 0.0138804402 -0.0009378985 -0.0142748956 -0.0520167697 -0.0372378114 0.0006574994 -0.0009839882 0.0021517764 0.0105382205 -0.0104137321 -0.0046606379 -0.0237771083 0.0230016689 0.0046417430 -0.0003049478 0.0003783032 -0.0002632556 -0.0028863280 -0.0255020532 -0.0142011822 -0.1790984159 0.3369586025 -0.0438814233 0.2746705271 0.2984175069 0.0327981024 0.0030321161 -0.1850371835 0.1937095458 0.0087354478 -0.0146584766 0.0260414928 -0.0412692941 -0.1391730403 -0.1720092196 -0.1581271784 0.1301450834 -0.1385250432 0.0227633895 0.0049623055 0.0186242119 -0.1801118715 0.1172603511 -0.0804875736 -0.0774270695 -0.1518699166 -0.1495780269 0.0047987132 -0.0032752118 0.0011880946 -0.0043384788 0.0032405809 -0.0021938931 0.0149109029 0.0012635833 0.0073554892 0.0099409146 0.0157645714 0.0148611036 -0.2334295457 -0.2075802389 -0.1321598397 -0.1267313703 0.1558786637 -0.1116042853 0.1176523629 -0.2040511034 0.0761744370 0.0146008961 -0.0368374969 -0.0103147672 0.0677634668 0.2273262071 0.2646515202 -0.0813228396 0.3157005364 -0.1512975766 -0.0069721274 -0.0121328596 -0.0024182019 0.0498533782 0.0439798493 0.0524527645 -0.0037402625 0.0637522781 -0.0322015905 0.0035819303 -0.0049052615 -0.0003402144 0.0042506446 -0.0036559079 0.0003088475 -0.0150736272 0.0168150758 0.0016001300 0.0071495333 0.0007375970 -0.0094022241 0.0016348103 -0.0039265956 -0.0036732983 -0.0101047392 0.0052858805 0.0408522197 -0.0218772576 0.0334650815 -0.0032136371 0.0011621002 0.0016840175 0.0003123559 0.0027483383 -0.0077084987 0.0000471841 -0.0070341510 -0.0035741939 0.0021487680 -0.0005352231 -0.0001839328 -0.0019654643 0.0013377280 -0.0017579609 0.0008643015 0.0023122480 -0.0030854739 0.0071731013 0.0003775027 -0.0020081192 -0.0016037946 -0.0283423971 0.0090940001 0.0116551385 0.0149760567 -0.0115438618 0.0009644669 0.0071785813 0.0306498242 0.0168603360 -0.0004342145 0.0005848364 -0.0017019575 -0.0073870109 0.0076742138 0.0034275925 0.0169912686 -0.0170981152 -0.0034529504 -0.0003756690 0.0000849695 0.0002868589 0.0000290339 -0.0259206859 -0.0124064754 -0.1780163030 0.3512004763 -0.0051646908 0.2649542337 0.2713265982 -0.0027159299 -0.0536456677 -0.1741693825 0.1885275607 0.0143322620 -0.0117879585 0.0198434555 -0.0553425383 -0.1526320473 -0.1593242758 -0.1696600872 0.1250495257 -0.1323181582 -0.0039759280 0.0001117629 -0.0043636953 0.0692780750 -0.0229703169 0.0079590121 0.0123461791 0.0297837089 0.0583215848 -0.0016538253 0.0036602584 -0.0004500227 0.0012510941 -0.0008604408 0.0011183497 -0.0071168243 -0.0080322344 0.0028166315 0.0009239836 0.0043139683 -0.0019860387 -0.0054945736 -0.0329471456 -0.0403522932 0.0026149849 0.0214265643 0.0402210478 -0.0204109644 -0.0554424237 0.0392370663 -0.0000015456 -0.0064739620 -0.0024483609 0.0202462072 0.0455383951 0.0467884788 -0.0083025856 0.0578432872 -0.0325840387 0.0010363906 -0.0009073686 -0.0007362228 -0.0053756347 -0.0011346157 0.0015309154 -0.0025971826 -0.0024533584 0.0016944782 0.0004397653 -0.0005026936 0.0006753653 0.0001657603 -0.0010075230 0.0000444427 0.0019255922 0.0063546499 0.0007884230 0.0007463500 0.0010485596 -0.0049241230 0.0006688122 -0.0004214277 -0.0003141476 -0.0019877664 0.0003410707 0.0068806088 -0.0056497783 0.0057777863 -0.0005154269 0.0003677457 0.0006972801 -0.0014191533 0.0040955658 -0.0077347771 0.0061708943 -0.0087530867 -0.0028687635 0.0049085031 0.0013632565 -0.0005434015 0.0011456098 -0.0116397234 0.0056024071 -0.0003784789 0.0011313024 0.0112967397 0.0007780599 0.0011919399 0.0020135401 0.0008808831 0.0205284354 -0.0085373630 0.0082177828 -0.0309638527 -0.0038561205 0.0010771425 -0.0089040864 -0.0196982471 -0.0282375423 0.0000043324 -0.0000949887 -0.0006984404 -0.0008811340 0.0011494199 0.0004396285 0.0017127839 -0.0037371305 -0.0009899910 -0.0002271519 0.0001422943 0.0002186379 -0.0322435857 0.0238311526 -0.0061096900 0.1366619171 -0.4007200504 -0.2829164890 -0.1147957159 0.0527329751 0.3563089550 0.5613969373 -0.0064454926 -0.0478372063 0.0033697506 0.0089131756 0.0414181085 -0.0775867753 -0.1948303725 -0.3017344211 -0.2227837899 0.1680066062 -0.1302336837 0.0141498107 0.0005591757 0.0090915801 -0.1081702341 0.0408485946 -0.0143589564 -0.0194276265 -0.0568077719 -0.0827159694 0.0004607747 0.0006141919 -0.0028113292 0.0007400679 -0.0002941401 0.0008344849 0.0005960464 0.0004905310 -0.0033724492 0.0018291752 0.0008840547 0.0031230857 -0.0413259612 -0.0228610132 -0.0053853671 -0.0241157458 0.0204272751 -0.0369428615 0.0288385727 -0.0131712292 -0.0027522520 0.0019444275 -0.0021159544 -0.0000183147 0.0031833046 0.0126816911 0.0163086288 -0.0076658746 0.0208429440 -0.0074278477 -0.0006559372 -0.0018038528 -0.0003329997 0.0070861427 0.0072928367 0.0094893962 -0.0027535641 0.0116293182 -0.0039111689 -0.0010259445 0.0024718927 0.0010925848 0.0057253197 0.0145892976 -0.0074711825 -0.0707839931 -0.1386959967 -0.0298362306 -0.0227994615 -0.0457560832 0.1325280304 -0.0033368950 0.0029547500 0.0003589956 0.0048524627 -0.0025776421 -0.0295395985 0.0318634658 -0.0007941132 0.0004397238 0.0048020690 0.0097004464 -0.0265599474 0.0718992419 -0.1219103630 0.1237900819 -0.1531177620 -0.0480720852 0.0887173206 0.0178091268 0.0035754788 0.0250113130 -0.0944095188 0.0726285884 -0.0377263077 0.0019722346 0.0761912386 -0.0262954501 0.0183925198 0.0343986730 0.0185544430 0.3732001549 -0.1524397636 0.1179151177 -0.5246963122 -0.0440225288 0.0178906190 -0.1563861839 -0.3573518225 -0.4879831670 0.0002468512 -0.0005119657 -0.0005251022 0.0018357132 -0.0021181069 0.0004352227 0.0015811922 -0.0021536011 0.0004396636 0.0002624740 -0.0005549021 -0.0000449529 0.0020240869 -0.0002187270 0.0009326340 0.0007608026 0.0075101558 0.0196427009 -0.0064141653 -0.0169526306 -0.0213929033 -0.0328210681 0.0085595444 -0.0057877062 0.0006565327 0.0010662517 -0.0031408017 -0.0000028963 0.0071306525 0.0173814513 0.0097455329 -0.0099044360 0.0098854693 -0.0041904859 -0.0013185735 -0.0027741326 0.0335883980 -0.0181564054 0.0105309846 0.0161916801 0.0286709717 0.0244191716 -0.0004124768 0.0005036873 0.0008646404 0.0006291324 -0.0005945387 -0.0000541634 -0.0060758838 0.0026200773 -0.0044584317 0.0159385188 -0.0185184308 0.0383873793 -0.3775430796 0.0059053123 0.2265097808 -0.2412602320 0.0567393881 -0.6155442896 0.3939758367 0.2371023410 -0.2778976986 0.0016869524 0.0111169817 0.0244716034 0.0048218169 -0.1345369265 -0.1364453746 0.0128724853 -0.1019371859 0.0825441247 0.0006998102 0.0014687131 -0.0000142247 0.0291235380 -0.0071617769 -0.0187362410 -0.0254301722 -0.0008408496 0.0203879961 -0.0007551161 0.0004968613 0.0002870016 -0.0014029935 -0.0005679968 0.0004090658 0.0096682008 0.0086453069 0.0020049008 0.0010694296 0.0032819486 -0.0092295449 0.0002905567 0.0002336002 0.0005045771 0.0009573499 -0.0002772491 -0.0019642819 -0.0012144736 -0.0031002249 0.0002915264 -0.0002372735 -0.0003911580 0.0008980824 -0.0024459439 0.0037980090 -0.0039339417 0.0050089469 0.0015967401 -0.0027822215 -0.0004583875 -0.0004313010 -0.0009690458 0.0007571584 -0.0020812365 0.0025039098 0.0001031318 0.0005934403 0.0009934693 -0.0006249875 -0.0011720127 -0.0007373525 -0.0132571050 0.0054552425 -0.0040785946 0.0187635837 0.0013720377 -0.0007017025 0.0056849433 0.0124198948 0.0176671300 0.0002311582 -0.0002256848 0.0008134242 0.0012063011 -0.0009454819 -0.0006090151 -0.0027672421 0.0021328499 0.0002002080 -0.0008645957 0.0010105255 -0.0023091562 -0.0023651540 0.0022340973 -0.0004694906 0.0133269040 -0.0365128132 -0.0227370406 -0.0131282307 -0.0002276627 0.0278966502 0.0445666315 0.0025819774 -0.0074267051 -0.0010649842 0.0003688451 0.0030934363 -0.0003625827 -0.0051019149 -0.0165562962 -0.0076608766 0.0071653490 -0.0045560935 0.0066906016 0.0008237689 0.0060601860 -0.0625175580 0.0356643242 -0.0228352695 -0.0216784469 -0.0446761446 -0.0518580309 0.0010820390 -0.0004810954 -0.0003434809 -0.0007253702 0.0005104855 -0.0004242076 0.0038279773 0.0000802671 0.0017420475 -0.0232109806 -0.0323865574 0.0043028784 0.2813918043 0.3326187489 0.2791440905 0.1175459296 -0.2859776887 -0.0756652479 -0.0140546664 0.4418614160 -0.2445459222 -0.0311432165 -0.0552084093 0.0002530198 0.1564199423 0.2221208489 0.2406128321 0.0126988831 0.3044661231 -0.2139033602 0.0086992792 0.0051181404 -0.0051182574 -0.0111320264 -0.0022630801 -0.0117867951 0.0023691365 -0.0204197414 0.0103806065 0.0202776931 -0.0306715861 0.0082981568 0.0208888527 -0.0135276946 -0.0017724292 -0.0719394427 0.0450330544 -0.0005440257 0.0102524491 -0.0062445053 -0.0074900412 -0.0014442326 -0.0021056684 -0.0031725785 -0.0157349009 -0.0028977424 0.0222286022 -0.0051254623 0.0193752392 -0.0027327595 0.0006106739 0.0010725440 0.0002468857 0.0025011841 -0.0011412417 0.0045920841 -0.0047351597 -0.0039548613 -0.0008823549 0.0027318191 -0.0011431882 -0.0032377939 -0.0181936275 0.0046863199 0.0073788937 0.0080108234 0.0138285670 0.0119553352 0.0047958576 0.0013780487 -0.0045165033 -0.0343815738 0.0036300046 0.0844514452 -0.0420302484 -0.0690522930 0.0088428266 -0.0008891507 0.0442634719 -0.0231055858 -0.0027673226 0.0031967707 -0.0135618947 -0.0341565671 0.0403052808 0.0165770046 0.0808618946 -0.0972315372 -0.0203038541 -0.0030508023 0.0026385775 0.0001237267 -0.0078250191 -0.0039460791 -0.0015984791 -0.0286873306 0.0237979455 -0.0552627588 0.0555133462 0.0836218439 0.0527916246 0.0853601441 -0.0439156333 0.0380638315 -0.0072956989 -0.0033830669 -0.0056450552 0.0142217025 0.0345736911 0.0347092996 0.0413080705 -0.0219968097 0.0098084978 -0.0067097502 -0.0019367209 -0.0065338601 0.0811671234 -0.0367111664 0.0184911826 0.0260614649 0.0516638947 0.0669451763 -0.0034502603 0.0074110043 -0.0048580476 0.0033139263 -0.0027416788 0.0028411806 -0.0075906054 -0.0228406929 0.0146777278 0.0036644176 0.0045641697 -0.0002425806 -0.0444646042 -0.0517715380 -0.0422971287 -0.0202128730 0.0456387282 0.0086448153 0.0041515150 -0.0662766598 0.0359921148 0.0057359938 0.0112940219 -0.0000958864 -0.0364222074 -0.0468472370 -0.0487513736 -0.0010670069 -0.0664858468 0.0446536044 -0.0012604853 -0.0022953351 0.0000407418 0.0041403676 0.0103793217 0.0160871723 -0.0044233479 0.0177067881 -0.0060566343 -0.0055922460 0.0088066661 -0.0045820089 -0.0046502942 0.0045565014 0.0003765493 0.0093015540 -0.0215655525 -0.0015901954 -0.0041843423 -0.0005281225 0.0101989118 0.0005434193 -0.0006920958 -0.0005015824 0.0021179192 0.0034843822 0.0063040077 -0.0023582162 0.0062653302 -0.0000955092 0.0001853941 -0.0000501376 -0.0005509784 0.0003080157 -0.0007956400 -0.0005438135 -0.0003861510 0.0006256523 0.0012702685 -0.0011078938 0.0005440515 0.0017790813 0.0071961015 -0.0011405044 -0.0045148866 -0.0032405160 -0.0058877783 -0.0042142575 -0.0020000728 -0.0004579628 0.0023494362 0.0188720997 -0.0029677607 -0.0383459933 0.0138923210 0.0319560340 -0.0039384843 -0.0012726757 -0.0229185672 0.0053136698 0.0006836876 -0.0006781951 0.0048653304 0.0086813466 -0.0115663942 -0.0042005109 -0.0214408874 0.0288926194 0.0066588712 0.0009176776 -0.0012931117 0.0003171260 -0.0371620502 -0.0148689897 -0.0035482322 -0.1037322534 0.0428538343 -0.2673372707 0.2100515594 0.3363316057 0.2389722037 0.4090061244 -0.1612323124 0.1289456470 -0.0535727336 -0.0164075584 -0.0395993704 0.1399282689 0.3207796428 0.3085823353 0.3690269211 -0.2046592523 0.1367563940 -0.0049292984 0.0043484405 -0.0169099554 0.1081648414 -0.0685939681 0.0513016459 0.0373421883 0.0777462967 0.0983305276 0.0002080138 -0.0051673331 0.0040125051 -0.0021519351 0.0020539703 -0.0018791796 0.0050186084 0.0047816124 0.0015753234 0.0030437170 0.0060064611 -0.0007267981 -0.0395342148 -0.0496032771 -0.0443297657 -0.0146436452 0.0397006928 0.0141227315 0.0016115612 -0.0685382666 0.0384951379 0.0088774235 0.0097392446 -0.0020970659 -0.0391546556 -0.0500753300 -0.0504725359 -0.0109989302 -0.0712134495 0.0506059262 -0.0089384292 0.0092536792 0.0082284455 0.0078297846 -0.0465705598 -0.0759473415 0.0427985600 -0.0651627305 0.0059134405 0.0145942455 -0.0214813231 0.0057906481 0.0091734878 -0.0086653299 0.0007517527 -0.0202271929 0.0490630779 0.0052462745 0.0005877996 0.0080508078 -0.0244911888 -0.0145621915 0.0191283191 0.0149389761 0.0380661783 -0.0461404689 -0.2430985296 0.1435449238 -0.1950247825 0.0121223809 -0.0021987165 0.0031048330 0.0079751065 0.0016017760 -0.0142062064 0.0142412585 -0.0164000332 -0.0138779710 -0.0024620296 0.0041073946 0.0165826666 -0.0220290220 0.0870004338 -0.0245126926 -0.0029829680 0.0276232681 -0.1573059369 0.0331334275 0.0298812694 0.0028490749 -0.0278322570 -0.2812323797 0.0431851720 0.5547325955 -0.2251943839 -0.4535203895 0.0622530210 0.0076482863 0.3503614828 -0.1114982270 -0.0019666786 0.0023269926 -0.0082374745 -0.0184054442 0.0230527834 0.0093019154 0.0408852159 -0.0536035997 -0.0100317346 -0.0020408577 0.0046014267 -0.0014036940 -0.0016022141 -0.0006848651 -0.0003503807 -0.0047098059 0.0022681350 -0.0125612952 0.0097855005 0.0160060918 0.0123368037 0.0193953245 -0.0082365090 0.0066961347 -0.0023364360 -0.0009574662 -0.0013654450 0.0071058385 0.0134531645 0.0095959682 0.0139489491 -0.0075040755 0.0044933387 -0.0006031030 -0.0004956054 -0.0006315079 0.0094554738 -0.0026277319 0.0005029710 0.0019097613 0.0041556885 0.0084537106 -0.0008633661 0.0024117265 -0.0025176248 0.0009305386 -0.0006297087 0.0009129191 -0.0000018095 -0.0110400657 0.0092290415 -0.0041919420 -0.0129789536 0.0006662191 0.0666776268 0.0838290615 0.0782758927 0.0212567013 -0.0597942212 -0.0209715280 -0.0071503888 0.1180996419 -0.0658998486 -0.0258037758 -0.0160847487 0.0100158115 0.0948566130 0.1082888028 0.1014624210 0.0486951729 0.1598556182 -0.1190641400 0.0379770042 -0.0386950118 -0.0339874598 -0.0434180362 0.1808501438 0.3064418231 -0.1913095707 0.2576482046 -0.0134822715 -0.0760575653 0.1142091291 -0.0405092879 -0.0666438984 0.0361223391 0.0110298554 0.2367552118 -0.0595997287 0.0170846343 -0.0207499074 0.0493721881 -0.0487573943 -0.0025039181 0.0102895887 0.0144137836 0.0661260402 -0.0101377219 -0.1661779230 0.0808335743 -0.1256780047 0.0129078060 -0.0013761247 0.0050338709 -0.0006433697 0.0113916104 -0.0451787865 0.0177019852 -0.0383067695 -0.0054132037 0.0268797599 -0.0158454674 0.0354649613 0.0077004912 0.2913507404 -0.0629223561 -0.1044050912 -0.0372294379 -0.3658452872 -0.0829659998 0.0050895276 -0.0021361309 0.0017426983 -0.0443117088 0.0051759268 0.0862028565 -0.0589093955 -0.0622285382 0.0150903830 -0.0093710044 0.0637526352 -0.0501206127 0.0101988950 -0.0105681706 0.0512788134 0.1108765045 -0.1380223214 -0.0543817943 -0.2649276052 0.3280106796 0.0695989990 0.0088967249 -0.0193676380 0.0069316147 0.0004324356 0.0005468605 0.0009297313 0.0036967131 -0.0056783627 0.0045781170 -0.0070050920 -0.0117852907 -0.0104344847 -0.0092454950 0.0091581714 -0.0083632041 0.0011623908 0.0013535897 0.0009754574 -0.0076947673 -0.0086819408 0.0010572569 -0.0036456855 0.0040189254 -0.0012441151 0.0041877053 0.0050171469 -0.0000196293 -0.0452526006 0.0026148523 0.0115326264 -0.0097690034 -0.0185068537 -0.0339121920 0.0060676756 -0.0176858631 0.0145397637 -0.0076625246 0.0059775708 -0.0062212494 0.0122772225 0.0601599762 -0.0440806435 0.0008083172 0.0025258674 -0.0002067824 -0.0102884990 -0.0119369141 -0.0115388267 -0.0018222713 0.0075128292 0.0032470915 0.0000873683 -0.0176777150 0.0105219911 0.0051805332 0.0029189481 -0.0021918578 -0.0185443430 -0.0241572294 -0.0228141703 -0.0085877963 -0.0360403405 0.0250901510 -0.0094911223 0.0097557422 0.0080071193 0.0119068859 -0.0446705205 -0.0775039840 0.0484862544 -0.0649772854 0.0030360938 0.0264834905 -0.0388431914 0.0094498640 0.0139739663 -0.0298752417 0.0082356075 -0.0042535063 0.2255069447 0.0353870376 0.0497437709 0.0472992041 -0.1644462306 0.0023991346 -0.0122900467 -0.0056479360 -0.0263673088 -0.0015987294 0.0798474019 -0.0337029071 0.0794238818 -0.0041664485 0.0004136871 0.0097656498 -0.0099695130 0.0255735242 -0.0574096684 0.0367267014 -0.0619962568 -0.0015995813 0.0473710887 -0.0313698447 0.0589913179 0.0363655734 0.5204510032 -0.1040309218 -0.2154500565 -0.0983352775 -0.6215675662 -0.2219519921 -0.0054800847 -0.0003507957 0.0182109715 0.1116993926 -0.0295340770 -0.1292569398 -0.0317896382 0.1226144389 -0.0049621122 -0.0337803131 -0.1131595118 -0.0691059489 -0.0042341789 0.0046517076 -0.0140308761 -0.0372763949 0.0446373180 0.0182785782 0.0822714355 -0.0994559137 -0.0196187779 -0.0037271179 0.0067671879 -0.0019824482 0.0001136443 -0.0000417582 -0.0004547332 -0.0005697632 0.0018676475 0.0000181261 0.0012324376 0.0022897511 0.0023838289 0.0008816399 -0.0025716249 0.0024328337 0.0001514321 -0.0009912627 0.0006411297 0.0037826610 0.0009188322 -0.0057343949 -0.0033899710 0.0012405461 -0.0019110911 -0.0003310193 -0.0011219761 0.0008221844 0.0065749707 0.0049542190 -0.0077955891 -0.0052643397 -0.0055801870 0.0075698371 -0.0022013063 0.0070197833 -0.0063503694 0.0024604544 -0.0020830583 0.0025747832 -0.0006024376 -0.0261770107 0.0206312809 -0.0034332355 0.0007535686 -0.0048925015 -0.0131907619 0.0055352441 0.0062109040 -0.0033759933 0.0009795424 -0.0015830301 0.0227050313 -0.0163400883 -0.0045163769 0.0034298802 -0.0093784414 -0.0014905085 0.0894357123 0.0521323944 0.0385228863 -0.0833608127 0.0986021276 -0.0153195003 0.0002101405 0.0006628330 0.0214415490 0.0211392484 -0.1016822100 -0.1180579853 0.0471701918 -0.0795771581 0.0453816915 -0.0163303025 0.0462653153 0.4280118692 -0.0131023613 -0.0024572790 0.0112764864 0.0116279919 0.0397982675 0.0270595781 -0.0464456620 0.0294014888 -0.0597594958 -0.0008155498 0.0072238738 -0.0039299667 -0.0256351620 -0.0157842587 -0.0002669865 0.0180108170 -0.0044132420 -0.0010514116 -0.0006579219 0.0003622932 0.0009775837 -0.0051504258 -0.0098327330 -0.0083762086 -0.0024227634 0.0020416882 0.0030053877 -0.0050118551 -0.0004717733 0.0078497324 0.0174255577 -0.0057935570 -0.0130809587 -0.0120065562 0.0098146253 -0.0677453080 0.0033197166 0.0010822192 -0.0030519213 -0.0016245332 0.0033875826 0.0045212583 -0.0048190698 0.0008952877 -0.0030671032 0.0037171789 -0.0143018600 0.0127418023 -0.0066454167 -0.0022121667 -0.2320272719 0.0604961264 -0.0310901091 -0.0787083394 0.0023371725 -0.1042119508 -0.0964602559 -0.0070330666 0.0119342979 -0.0366427537 -0.0079616401 -0.0008260844 0.0019593778 0.0037773789 -0.0160774630 0.0101754372 0.0040960609 0.0015134182 -0.0199731536 0.0135919271 0.0133581757 -0.0143822265 0.0109504184 0.0048351809 -0.0116589392 -0.0379443769 -0.0373719435 0.0679666505 -0.0372313680 -0.0166821382 0.0413636446 -0.0229709190 0.0402873345 -0.0081450428 0.0494495258 -0.0323802412 0.0455240928 0.0522039494 0.0768095278 -0.2189305634 0.2932269694 -0.3179875102 0.2271901328 -0.2205260716 0.1789912729 -0.1235239206 0.0453995185 0.2297303919 -0.4227787006 0.0022282343 0.0018420539 -0.0010637498 -0.0110595390 0.0019772204 0.0085270254 0.0025056571 0.0002773216 -0.0060549243 -0.0043846502 0.0020815135 0.0001778500 -0.0039904538 0.0001775595 -0.0035458250 0.0614210570 0.0122651070 -0.0075348934 0.0025191293 -0.0116861848 0.0012254706 -0.0058613744 -0.0015731091 0.0284002763 0.0331025735 -0.0925052585 -0.1001539153 0.0538416005 -0.0519262998 0.0299652670 -0.0858956239 0.1500449035 0.5399001163 -0.0098847428 0.0085354440 0.0207869411 0.0320608576 0.0305943366 0.0403004245 -0.0897919723 0.0535990405 -0.1075599773 -0.0034769878 0.0091614209 -0.0045278849 -0.0362668293 -0.0290083758 -0.0002733542 0.0247176145 -0.0077671509 -0.0009363080 -0.0022868398 -0.0001790594 0.0027473450 -0.0104049266 -0.0005687248 -0.0256840164 0.0195247433 0.0142366032 -0.0004153939 -0.0049513915 -0.0017031055 0.0073324833 0.0076850328 -0.0000897272 -0.0143210539 -0.0066931423 0.0194352827 -0.0550880996 0.0029550468 0.0008777817 -0.0039204088 0.0001720726 0.0017477609 0.0104533283 -0.0071477906 -0.0006232168 -0.0019621577 0.0038181533 -0.0131081371 0.0121761955 -0.0009656830 -0.0142142313 -0.2826996247 0.0919494280 -0.1351297846 -0.1279902628 -0.1029358640 -0.0160496192 -0.1164449057 0.0167221766 -0.0133684639 -0.0394492741 0.0066734026 0.0007200225 0.0016877072 -0.0074907374 0.0085492481 -0.0313991604 0.0028388694 0.0002627875 0.0140864764 0.0030579580 -0.0025018421 0.0073202592 -0.0090119174 -0.0081035849 -0.0050486227 0.0256400070 0.0371734629 -0.0337268775 -0.0100988292 -0.0140452654 -0.0093345666 0.0185461687 -0.0194344644 0.0136164234 0.1263526569 0.0546696500 -0.1119340497 -0.0424632967 -0.0442266550 0.2080661759 -0.3193135293 0.2543590778 -0.1863322081 0.2196413604 -0.1656621620 0.1102898867 0.0313607601 0.0232181920 0.2946517336 0.0000048754 0.0002169824 0.0001235050 0.0005484772 -0.0015667400 0.0015798869 0.0012407359 0.0006872893 -0.0004459460 -0.0013185082 -0.0007705290 -0.0019261758 -0.0001403508 0.0002459313 -0.0001264823 0.0003642745 -0.0022283143 0.0005861494 0.0015285273 -0.0026172676 -0.0001511045 -0.0000584974 0.0001602348 0.0000844047 0.0007147080 -0.0016315138 0.0012175407 -0.0007750548 -0.0004830177 -0.0019961053 -0.0004361123 -0.0002333509 -0.0001889217 0.0000886928 -0.0000867328 -0.0006631802 -0.0018503316 -0.0020668370 0.0029420297 0.0058279844 -0.0013848163 0.0040042544 0.0002970654 -0.0002977267 -0.0001429916 -0.0009248580 0.0016979888 -0.0007536425 0.0000398854 0.0002190393 0.0018826108 -0.0000866759 -0.0000604230 0.0000945897 0.0010011590 -0.0003041464 -0.0005306830 -0.0010711488 0.0008361053 -0.0005396669 -0.0001078813 -0.0000695042 0.0000289226 0.0001456538 0.0005108278 0.0000329867 0.0008189520 0.0001662247 -0.0003623774 0.0000420251 -0.0000238420 -0.0000591009 0.0001194493 0.0002130579 0.0001732089 -0.0000755649 0.0000134702 0.0003588669 -0.0004173232 -0.0000250458 0.0001644622 0.0002108202 0.0000565661 -0.0000782576 0.0007852469 0.0005459484 -0.0010885994 0.0017057118 -0.0017394134 0.0089513207 0.0001297850 -0.0001398707 0.0000196593 -0.0004820191 -0.0004439631 0.0001900353 0.0047255834 0.0022212110 0.0001597545 -0.0019135614 0.0020800852 -0.0005603097 0.0002087250 -0.0012190318 -0.0017597809 0.0000824823 -0.0006007126 -0.0007024015 0.0055201175 -0.0022070582 -0.0011471586 -0.0009588032 0.0102834758 0.0101793671 0.0032824560 -0.0019978297 -0.0007647259 0.0021239847 0.0049890556 0.0083536847 -0.0411157296 0.0281255234 0.0028968166 -0.0480920384 0.0419483220 0.0547606706 -0.0014749090 0.0012013175 -0.0014251085 0.5754619481 -0.5195213630 -0.6235085969 0.0001462030 -0.0000564295 -0.0000748777 -0.0005127830 0.0012366627 -0.0011007329 -0.0015701035 -0.0011449698 0.0004909845 0.0005865985 0.0006422427 0.0013135073 0.0000451315 0.0000026219 -0.0000303776 -0.0000527490 -0.0004207066 0.0002784532 -0.0002618152 -0.0000785038 -0.0000513666 -0.0002510845 -0.0003869365 0.0000648980 -0.0010637162 0.0044038026 -0.0034353469 0.0029331781 0.0016505625 0.0044224369 -0.0011860557 0.0006246061 0.0017560188 -0.0162506009 -0.0725846413 -0.0169221901 0.0099086338 0.0104799842 -0.1952240063 0.1738437022 0.8639297853 0.3945063046 -0.0063613120 0.0065024525 0.0027918641 0.0734217716 -0.0931762272 0.0407361035 0.0023894656 0.0057942278 -0.0810526756 0.0008110111 0.0003627217 0.0001229244 -0.0090016352 -0.0023111422 0.0026027252 -0.0009011410 0.0033874243 -0.0017922778 0.0002427058 -0.0003305431 -0.0002006858 0.0016429065 0.0046912237 0.0013189455 -0.0030087336 0.0006972725 0.0018603634 -0.0001828262 -0.0002712657 -0.0001020670 0.0012092562 0.0027521146 0.0002530510 0.0000100573 -0.0000221910 0.0006352750 0.0007108405 0.0001819212 -0.0002549570 0.0000600848 0.0000984706 -0.0007068899 0.0015152796 -0.0011626690 0.0001896125 0.0017683008 0.0018810145 -0.0067353871 0.0003214142 -0.0003327087 -0.0000770432 -0.0000733529 0.0000761586 -0.0000017151 0.0001464601 0.0001245311 -0.0000516525 0.0009268033 -0.0007888646 0.0002518303 -0.0000948709 -0.0002546686 -0.0001595528 -0.0001446099 0.0003501863 -0.0001131685 0.0012993449 -0.0019625397 0.0007698862 0.0000363792 -0.0007582580 -0.0004612125 -0.0016387080 0.0005390998 -0.0008813542 -0.0000868203 0.0101485074 0.0081073728 0.0203030113 -0.0156387836 0.0026031179 -0.0013159700 -0.0003453981 -0.0002681184 0.0004231876 -0.0001251976 0.0002472831 0.0060808378 0.0042078503 0.0014430945 -0.0000564687 0.0000454630 0.0000438138 0.0002554824 -0.0006298723 0.0005613685 0.0007440015 0.0004926725 -0.0002392041 -0.0003694446 -0.0004053558 -0.0008069860 -0.0000076928 -0.0000176673 0.0000070496 -0.0000592894 0.0001818352 -0.0001726301 0.0001089206 0.0000438104 0.0001214355 0.0000969214 0.0001673228 0.0000441703 0.0004153455 -0.0014365055 0.0011289532 -0.0013132927 -0.0007231682 -0.0020748724 0.0000996831 -0.0002138207 -0.0005727420 0.0019242821 0.0076787702 0.0001252160 -0.0032572111 -0.0050613892 0.0383792056 -0.0188116153 -0.0844160069 -0.0381418927 -0.0272228120 0.0281749519 0.0199894161 0.3051108782 -0.3611952623 0.1557234152 0.0219657466 0.0259754225 -0.3886952205 0.0465086715 0.0215512295 -0.0251694220 -0.6855465923 -0.1032363343 0.2144363537 0.1270092805 -0.1522798912 0.0814294463 -0.0047018998 -0.0070982538 -0.0009111336 0.0340442620 0.0862738470 0.0221629640 0.0281334210 -0.0023382985 -0.0101173487 0.0009232348 -0.0018596087 0.0004434940 0.0098781900 0.0221975598 0.0035077955 -0.0003107281 -0.0040260731 -0.0173272773 -0.0237753501 0.0028330048 0.0056676935 0.0000381796 -0.0000076822 0.0002604830 -0.0002595710 -0.0000547182 -0.0001494167 -0.0005644015 0.0001589356 0.0029526343 -0.0000538764 0.0000734090 0.0000342263 0.0000136719 -0.0000571182 0.0000924357 0.0008890935 0.0004199984 -0.0001214515 -0.0010520565 0.0009652268 -0.0003394527 -0.0000590062 -0.0007466230 -0.0005991249 -0.0000389103 -0.0001311411 -0.0000992720 0.0003577329 -0.0002519130 0.0000380508 0.0001812602 0.0016501144 0.0012927202 0.0003934058 -0.0000666520 0.0002800375 -0.0002551590 -0.0032040139 -0.0026713816 -0.0045250756 0.0037338665 -0.0007049446 0.0001153261 0.0002180644 0.0001950512 -0.0001032643 0.0000239272 -0.0000502429 0.0008968166 -0.0019367189 -0.0016238175 0.0010145527 -0.0012678319 -0.0006004163 -0.0059611328 0.0151772221 -0.0134426627 -0.0131765778 -0.0085315766 0.0042750814 0.0073993819 0.0083286161 0.0161104171 0.0000165944 0.0000837288 0.0000370274 0.0001082344 -0.0005518892 0.0004614031 -0.0003643660 -0.0002868850 -0.0007247763 -0.0003371882 -0.0011713405 -0.0000467413 -0.0031233928 0.0109924955 -0.0080847312 0.0059691216 0.0035430864 0.0097679939 -0.0003187831 0.0003519805 0.0005019181 -0.0026363976 -0.0076436587 -0.0007510047 0.0023227384 0.0030365557 -0.0249748600 0.0214569972 0.0854637500 0.0373795978 0.0332214113 -0.0366149670 -0.0140981677 -0.3762549181 0.4474211150 -0.1863375177 -0.0164260586 -0.0195785204 0.3424499076 0.0321526756 0.0220304486 -0.0204690921 -0.5142197540 -0.0820059265 0.1552650100 0.1348732975 -0.1687701008 0.0902239145 -0.0019367556 -0.0130131489 -0.0029873518 0.0594665196 0.1497146155 0.0369163579 -0.0309773790 -0.0019758730 0.0072747148 -0.0126611784 0.0116343523 -0.0046527266 -0.0736385606 -0.1573475516 -0.0257090320 -0.0048632311 0.0308988321 0.1505880162 0.2242696293 -0.0073624490 -0.0720439583 0.0000499544 -0.0000085708 -0.0002442690 0.0001874583 0.0000558616 0.0003027690 0.0002701388 0.0006392222 -0.0057186423 0.0001857549 -0.0002054981 -0.0000370708 0.0001652753 0.0004519391 -0.0010279056 -0.0117287768 -0.0056736810 0.0018994982 0.0091069676 -0.0083405627 0.0029447835 0.0008574462 0.0088870000 0.0069837605 0.0003433097 0.0005185361 0.0006863239 -0.0030583535 0.0028094670 -0.0008516451 -0.0011159985 -0.0089965755 -0.0071257677 -0.0004366197 -0.0002494410 -0.0005611394 0.0007351291 0.0071631711 0.0060670553 0.0044714092 -0.0038281746 0.0007056872 -0.0003954953 -0.0001336211 -0.0001356020 0.0002182574 -0.0000781759 0.0000911721 0.0003579175 0.0010924783 0.0002627017 -0.0288518982 0.0386361405 0.0183370044 0.1754127407 -0.4501194879 0.3992503808 0.3818727888 0.2479785812 -0.1236966070 -0.2254670085 -0.2529947154 -0.4876018011 0.0010784433 -0.0011837284 -0.0010007539 -0.0025950548 0.0045500875 -0.0014662435 0.0013785910 0.0039409959 0.0067368277 -0.0013326553 -0.0086362947 -0.0015228914 -0.0258093621 0.0781458993 -0.0563615519 0.0432158031 0.0260975838 0.0763320727 -0.0000006036 0.0000521269 -0.0001923613 -0.0000265576 -0.0001777538 -0.0000587801 0.0000372299 -0.0000277632 -0.0000375176 0.0003596193 0.0020150891 0.0008869382 0.0001672206 -0.0001865198 0.0000184226 -0.0020423377 0.0022839495 -0.0008878497 -0.0000125785 -0.0001044656 0.0006218660 0.0002064879 0.0002641964 -0.0001736998 -0.0041996187 -0.0006251672 0.0010901952 0.0018225998 -0.0021921479 0.0009977356 0.0004297056 -0.0000384902 -0.0000255299 -0.0003104205 -0.0004517567 -0.0003166296 -0.0043246655 0.0001161378 0.0013024879 -0.0029414735 0.0019455892 -0.0012671146 -0.0129523115 -0.0273832034 -0.0046884578 -0.0009836066 0.0066313675 0.0343507543 0.0485045498 -0.0018082167 -0.0152947390 -0.0000968312 0.0000594324 0.0000858876 -0.0000207718 0.0000164102 0.0000618874 -0.0000509106 0.0001378892 -0.0004330427 0.0000260773 -0.0002007334 -0.0001018671 0.0006324953 0.0016857851 -0.0035635505 -0.0430254803 -0.0207518324 0.0069715362 0.0326514300 -0.0295652945 0.0105040045 0.0031629666 0.0306606085 0.0239924379 -0.0003172970 -0.0003534638 -0.0003340814 0.0024960127 -0.0025627311 0.0005475441 0.0008138405 0.0063073656 0.0045207938 -0.0001522946 0.0001689224 0.0000015471 0.0000584929 -0.0010169957 -0.0005706020 0.0016956393 -0.0010737308 0.0003382721 0.0002207001 -0.0001856386 -0.0000630146 -0.0000628725 0.0001018790 0.0000049113 -0.0015660023 0.0013323913 0.0014337853 -0.0015957458 0.0021492770 0.0009196868 0.0097997749 -0.0251138321 0.0222574548 0.0205915089 0.0133881703 -0.0066371222 -0.0121228954 -0.0136274585 -0.0262217093 0.0001009438 -0.0002140811 0.0000121372 -0.0005859917 0.0017019771 -0.0011696350 0.0001903230 0.0006285134 0.0007292635 -0.0002669951 -0.0010300194 -0.0002712219 -0.0028259906 0.0088575301 -0.0064466664 0.0059083453 0.0035234415 0.0101357408 -0.0000868965 0.0001415166 0.0002871635 0.0002430252 0.0006563156 -0.0001239628 -0.0002989466 -0.0005470458 0.0048851290 -0.0018443063 -0.0072039514 -0.0033004527 -0.0026018457 0.0028125266 0.0015961499 0.0289891654 -0.0348283542 0.0147676591 0.0016769268 0.0016458394 -0.0326895811 -0.0017578468 -0.0011435264 0.0012224020 0.0281622033 0.0045928596 -0.0091631975 -0.0071787539 0.0093022091 -0.0055830902 0.0016343601 0.0026903949 0.0009517003 -0.0149013989 -0.0355906552 -0.0103441713 -0.0036106179 0.0011407012 0.0011352105 -0.0112314599 0.0071340682 -0.0051229209 -0.0481863392 -0.1016053308 -0.0175327856 -0.0038636229 0.0257033534 0.1338275988 0.1847124707 -0.0070558100 -0.0581162751 -0.0000308092 -0.0000190209 -0.0001516198 -0.0000824450 -0.0002058220 -0.0001102631 0.0000456386 0.0001541581 0.0001561329 0.0000330742 -0.0000522122 -0.0000387058 -0.0073294469 -0.0204459348 0.0424231103 0.5157577708 0.2488186118 -0.0831106403 -0.3941361460 0.3566353211 -0.1268170959 -0.0381829702 -0.3654122014 -0.2846906995 0.0078150398 0.0115766456 0.0125982675 -0.0628960996 0.0590233940 -0.0152957899 -0.0254631191 -0.1925193501 -0.1466127779 -0.0020484330 -0.0009002317 -0.0023842722 0.0037998123 0.0300957832 0.0256942712 0.0208920198 -0.0189238865 0.0040345367 0.0003652516 -0.0000398408 0.0000613980 -0.0002210779 0.0000188631 -0.0000467815 -0.0004153502 0.0001681062 0.0000096971 -0.0022347267 0.0031079541 0.0014270766 0.0139084219 -0.0357767296 0.0317331099 0.0296303786 0.0192654300 -0.0095827631 -0.0179139768 -0.0200796772 -0.0386422265 0.0001347083 -0.0001005435 -0.0000500847 -0.0003313056 0.0004812969 -0.0001470338 -0.0000478489 0.0003042262 0.0002571473 -0.0003965800 -0.0019243450 -0.0001768899 -0.0054744658 0.0178323812 -0.0129342129 0.0093095692 0.0056288392 0.0159782069 -0.0001765598 0.0001410354 -0.0000689104 -0.0009284581 -0.0025564387 0.0005036081 0.0011125968 0.0020656058 -0.0179838464 0.0072036371 0.0278648188 0.0124151586 0.0111210253 -0.0119743839 -0.0070344251 -0.1239835116 0.1483779800 -0.0627738687 -0.0073561807 -0.0073590661 0.1419112691 0.0074744301 0.0055126186 -0.0054754852 -0.1248907414 -0.0202672348 0.0397342092 0.0355880849 -0.0455665245 0.0263541379 -0.0055732590 -0.0119099723 -0.0042615925 0.0639792330 0.1539859540 0.0440608450 -0.0001156123 -0.0045358102 -0.0001589666 0.0384612444 -0.0240567425 0.0174814592 0.1629487958 0.3433337429 0.0595684245 0.0131576113 -0.0876911311 -0.4565591650 -0.6310213882 0.0242787140 0.1984251896 0.0001033855 0.0000304399 0.0000421158 0.0000629753 0.0000622875 0.0001645055 0.0000776691 0.0001499855 -0.0019520170 0.0001214301 -0.0001437269 -0.0000171918 -0.0020592394 -0.0056573175 0.0115399097 0.1418262912 0.0683973566 -0.0228074155 -0.1078448484 0.0974828039 -0.0346593369 -0.0104354183 -0.0992611786 -0.0772469749 0.0028282912 0.0041548167 0.0047150958 -0.0231643364 0.0216448877 -0.0058169739 -0.0091822836 -0.0698748908 -0.0535515115 -0.0010829699 -0.0005104740 -0.0012939726 0.0019879807 0.0160017860 0.0137279466 0.0109522661 -0.0096121320 0.0020382632 -0.0001260992 -0.0001060077 -0.0000426350 0.0000623688 -0.0000327919 0.0000340315 -0.0001097509 0.0007882173 0.0001685826 0.0000683236 -0.0001967606 -0.0001242918 -0.0005766547 0.0018396139 -0.0016822159 -0.0010850444 -0.0009307720 0.0003389704 0.0013551303 0.0013860688 0.0026017418 -0.0000832261 -0.0002665000 0.0000366233 -0.0003398293 0.0018132172 -0.0019205417 0.0007252529 0.0006753786 0.0016665276 0.0010306774 0.0045817364 0.0006012641 0.0124009541 -0.0408953654 0.0296546676 -0.0229655701 -0.0138782278 -0.0388123927 0.0001327956 -0.0003682060 0.0002864742 0.0000537562 0.0002962335 -0.0002169690 -0.0004271746 -0.0005513973 0.0035707383 -0.0005612277 -0.0029498624 -0.0011292330 -0.0006481607 0.0006413465 0.0005369436 0.0072128849 -0.0083715036 0.0035364246 0.0005631991 0.0006282280 -0.0097154768 0.0001010425 -0.0004448567 0.0002457482 0.0027849626 0.0003921166 -0.0007414887 -0.0037996806 0.0048055342 -0.0024796091 -0.0002402377 0.0028720237 0.0012307130 -0.0141066044 -0.0345782550 -0.0096809255 0.0164002814 0.0007257441 -0.0047483841 -0.0004126687 0.0000472701 -0.0004380061 -0.0009891658 -0.0019413490 -0.0004458487 -0.0003212904 0.0015614369 0.0077171484 0.0066550795 -0.0003423485 -0.0021369193 0.0000345361 0.0000406203 -0.0001093947 0.0000529525 0.0001553653 -0.0001948016 0.0003116388 -0.0002960970 0.0011985268 -0.0002055267 0.0002256773 0.0000522060 -0.0028458954 0.0001238131 -0.0172752971 -0.1024016739 -0.0515816507 0.0202890599 0.1197538606 -0.1123219217 0.0394009994 0.0160339037 0.1690824490 0.1335941609 0.0284010344 0.0380976943 0.0516257668 -0.2451541303 0.2281763127 -0.0693409447 -0.0904346005 -0.6859720297 -0.5344031810 -0.0033022153 -0.0067585805 -0.0072568126 0.0144940621 0.0970870034 0.0829911002 0.0195708448 -0.0158998712 0.0017845517 0.0000786765 -0.0000292064 0.0016659553 -0.0004439433 0.0001904247 -0.0002848250 0.0081035947 -0.0063169227 -0.0114966426 0.0038923183 -0.0048623435 -0.0025896580 -0.0245523617 0.0579044038 -0.0496684874 -0.0546216823 -0.0318565531 0.0181845382 0.0271028328 0.0329640137 0.0638605683 0.0011717076 0.0041927861 0.0000530409 0.0099735117 -0.0302007176 0.0273076783 -0.0125553135 -0.0135227422 -0.0292420609 -0.0147608364 -0.0601061196 -0.0107122874 -0.1588825418 0.5235410307 -0.3797012635 0.3145186674 0.1897847755 0.5312695334 -0.0018216447 0.0022559732 -0.0018790858 -0.0000619280 0.0002729876 -0.0000114933 -0.0001910116 -0.0003844070 0.0004603418 -0.0000053663 -0.0032609256 -0.0013120724 0.0010356988 -0.0015164468 0.0001725749 -0.0121650260 0.0151638655 -0.0063640929 0.0000893118 0.0003993763 0.0037066766 0.0046673246 0.0003575946 -0.0013841092 -0.0499860769 -0.0084872135 0.0158581229 -0.0039232182 0.0056329071 -0.0016702122 -0.0024792463 0.0221399603 0.0097013954 -0.1084298541 -0.2655559413 -0.0749351816 0.1341401929 0.0054508853 -0.0381738393 0.0012775511 -0.0026492869 -0.0013372570 0.0125403712 0.0270065930 0.0040674953 -0.0011573170 0.0020676825 0.0060781680 -0.0232263272 0.0003336869 0.0066180565 0.0000074155 0.0002143096 0.0009300306 0.0001517727 -0.0005151924 0.0002797173 -0.0002890291 0.0011731604 -0.0028897671 0.0021250205 -0.0018936587 -0.0010054569 -0.0001875537 0.0001332270 -0.0013986220 -0.0099135054 -0.0049238229 0.0018398513 0.0106883431 -0.0099118913 0.0034719844 0.0013310797 0.0135227715 0.0105740715 0.0013986589 0.0017793858 0.0024970277 -0.0119807127 0.0113348130 -0.0034666801 -0.0043273719 -0.0328294135 -0.0255263016 0.0001656516 -0.0008170169 -0.0003934373 0.0008096418 0.0069141284 0.0055698602 -0.0035878816 0.0027883556 -0.0008619991 -0.0000414037 0.0002419958 0.0001770918 -0.0000339413 -0.0000481440 -0.0000235048 0.0018781538 -0.0021646044 -0.0022195607 0.0016549453 -0.0020857752 -0.0010587161 -0.0104007590 0.0248376768 -0.0213592389 -0.0228619699 -0.0134925132 0.0076213392 0.0115232170 0.0138716833 0.0268554316 0.0003671003 0.0017384607 -0.0000181953 0.0044987863 -0.0127526241 0.0113580156 -0.0048038741 -0.0054203867 -0.0114674408 -0.0051871435 -0.0213434742 -0.0039345153 -0.0562371299 0.1848077517 -0.1340366437 0.1115501150 0.0672639038 0.1887763386 -0.0003695095 0.0006678926 0.0002408755 0.0006527152 0.0018914532 0.0011541587 0.0007022468 0.0018609943 -0.0041235726 -0.0054476264 -0.0221451866 -0.0096792272 -0.0059100941 0.0073515656 0.0014875246 0.0687072886 -0.0819788491 0.0343525006 0.0018100360 0.0012423826 -0.0485918046 -0.0151578731 -0.0028343851 0.0054367493 0.1771189027 0.0298022924 -0.0552436996 -0.0014556636 -0.0012578651 -0.0034293260 0.0069414669 -0.0607590686 -0.0267194038 0.2981986775 0.7287751568 0.2061914459 -0.3708281333 -0.0152937026 0.1047573492 -0.0045054326 0.0083129837 0.0034573151 -0.0408991473 -0.0871135615 -0.0136929769 0.0030049603 -0.0038718593 -0.0063261619 0.0824841002 -0.0016929477 -0.0238125248 -0.0000356514 0.0001078774 -0.0000866251 -0.0000470903 -0.0003479042 -0.0002443742 0.0000400014 -0.0000890659 0.0012817114 0.0006139091 -0.0004475884 -0.0004734490 -0.0003152252 0.0000981822 -0.0015386839 -0.0097833378 -0.0048754248 0.0018387371 0.0118675784 -0.0109359526 0.0038344793 0.0015250390 0.0149960677 0.0117062269 0.0016369014 0.0021894966 0.0030273403 -0.0140945518 0.0132145507 -0.0040476548 -0.0053491212 -0.0398662122 -0.0309654405 0.0009899893 -0.0001897154 0.0007468386 -0.0008039632 -0.0076363646 -0.0065542931 -0.0114914022 0.0097864503 -0.0022845241 0.0003695739 0.0001014450 0.0001912130 -0.0002225382 0.0000761829 -0.0000907650 0.0005772715 -0.0014234901 -0.0010231063 -0.0001562230 0.0001449104 0.0001324575 0.0007733386 -0.0019906543 0.0017254839 0.0025280374 0.0015808511 -0.0007885880 -0.0012310288 -0.0014850023 -0.0027177080 -0.0001518124 0.0012900927 -0.0003409491 0.0028401500 -0.0110166108 0.0096217011 -0.0024940966 -0.0030404400 -0.0052692184 0.0004569342 0.0004324501 0.0007546288 0.0004745163 -0.0010083073 0.0008639057 -0.0060035313 -0.0035368989 -0.0100692127 0.0003575581 0.0001924287 -0.0009965263 -0.0000844283 -0.0021784667 -0.0026271028 -0.0016074362 -0.0025819780 0.0175014570 0.0057217090 0.0297705505 0.0131185090 0.0002190899 -0.0001149386 -0.0014475268 -0.0027302563 0.0027045227 -0.0011832283 -0.0007484006 -0.0007021506 0.0171016094 0.0003804709 0.0003470835 -0.0003195549 -0.0061880813 -0.0008698606 0.0020051940 0.0022717395 -0.0026341968 0.0015891036 0.0002507015 0.0013592991 0.0004754571 -0.0066154890 -0.0161076420 -0.0045948003 0.0037553750 0.0001326513 -0.0007038026 0.0003525930 -0.0002980463 0.0000169210 0.0015955486 0.0034638309 0.0006488834 -0.0000235932 -0.0004192042 -0.0024083853 -0.0058203139 0.0003231157 0.0017185382 -0.0000911625 -0.0000382104 0.0002776744 -0.0000724883 -0.0000059951 0.0001363457 -0.0002722830 -0.0003094752 0.0023999361 -0.0000562604 -0.0000531019 0.0000827058 -0.0014575303 -0.0014032800 0.0003210787 0.0233704902 0.0115948450 -0.0056818042 -0.0053857459 0.0063459403 -0.0038963665 0.0008098409 0.0015642167 -0.0009567051 0.0009918355 0.0059280181 0.0068552056 -0.0097295087 0.0105140463 -0.0020587766 -0.0134007982 -0.0920400280 -0.0718640420 0.0520135654 0.0040500795 0.0460297636 -0.0702264229 -0.5139517611 -0.4276812157 -0.5471925532 0.4632720774 -0.1043128773 0.0020310664 -0.0011071771 -0.0026397747 -0.0004259057 0.0003083304 -0.0000088224 -0.0118113964 0.0141504991 0.0184263817 0.0000273161 -0.0000329211 0.0000236755 -0.0001871193 0.0004701653 -0.0004129137 -0.0001905767 -0.0001135567 0.0000614311 0.0000285612 0.0000392754 0.0000671609 -0.0000033035 -0.0000111352 0.0000020929 -0.0000177749 0.0001056122 -0.0000985318 0.0000777663 0.0000585560 0.0000956610 0.0000245844 -0.0000636317 0.0000540116 -0.0001778067 0.0006496743 -0.0005163085 -0.0001562788 -0.0000784846 -0.0002179321 0.0000820436 -0.0001340443 -0.0000843479 -0.0008183006 0.0014022071 0.0205207840 0.0133270655 0.0277849256 -0.2376661927 -0.0069929188 -0.0422795405 -0.0155745384 -0.0211947556 0.0335936377 -0.0789991690 0.3155134862 -0.3735770597 0.1456862871 -0.0574252055 -0.0311729676 0.7994704846 0.0141427801 -0.0051432896 0.0005619474 -0.1068227988 -0.0192292020 0.0348268022 -0.0649715348 0.0834570201 -0.0484357454 -0.0010891229 -0.0004256140 0.0006206813 0.0018853885 0.0051469670 0.0008755310 0.0124599853 0.0006926561 -0.0032879177 -0.0022870813 -0.0015285243 -0.0018704973 0.0063034753 0.0148274092 0.0028532403 -0.0009394333 0.0034361129 0.0254606338 0.0217038056 -0.0005044194 -0.0071664588 -0.0000372703 0.0000880499 0.0001116171 -0.0002010514 0.0001884229 0.0002471216 0.0022578189 -0.0021042282 0.0035498245 -0.0000022454 -0.0000177194 0.0000033551 0.0000644871 0.0000246745 -0.0000967485 -0.0014008074 -0.0007052884 0.0002858481 0.0005057852 -0.0004890845 0.0001937424 0.0000896187 0.0008782159 0.0006976300 0.0000860935 -0.0000367183 0.0000421355 -0.0009383872 0.0008078101 -0.0002838918 -0.0000555135 -0.0003018294 -0.0002132247 -0.0004452444 0.0001020577 -0.0002596141 0.0004303073 0.0022866580 0.0019411947 0.0043703696 -0.0037110466 0.0009806924 0.0000197469 0.0000329577 0.0000960303 -0.0000070835 0.0000011151 -0.0000091825 0.0000839560 -0.0005193722 -0.0006590375 -0.0000164636 0.0016997149 -0.0020496222 0.0089982626 -0.0177019384 0.0141755018 -0.0114949023 -0.0084219463 0.0047331568 0.0025663363 0.0057072414 0.0093223586 0.0045376098 -0.0116716852 0.0115455233 -0.0549378402 0.1530811242 -0.1314239830 -0.0035792560 -0.0096383153 -0.0152193172 -0.0412662751 0.0255667394 -0.0781953117 0.1495273814 -0.5219456981 0.3748245856 0.3413633226 0.2173415844 0.5643323925 0.0003484828 0.0001313468 -0.0015567076 -0.0003348937 0.0004011123 0.0131785398 0.0096353703 0.0171870895 -0.1480222061 -0.0048555536 -0.0243752968 -0.0098414364 0.0005466023 -0.0008093109 0.0025925986 -0.0084587105 0.0091062714 -0.0036998988 0.0024480792 0.0014956545 -0.0272192788 -0.0030223623 0.0027140492 -0.0013099444 0.0102709449 0.0019297591 -0.0033299709 0.0258147887 -0.0341766405 0.0187963160 0.0024558483 0.0012165005 -0.0002451270 -0.0054789654 -0.0141763127 -0.0042072527 -0.0234185165 -0.0002222811 0.0069675658 -0.0007393864 -0.0003382188 0.0009295834 0.0024416016 0.0060782963 0.0010816141 0.0000959166 -0.0018775043 -0.0099039464 0.0062781455 -0.0000836669 -0.0019016660 -0.0001929453 0.0004588576 0.0007501087 -0.0001228458 0.0002087613 -0.0000690569 -0.0005048086 -0.0008472147 0.0040858170 0.0003094718 -0.0007625766 0.0001111751 0.0005654868 0.0000212268 0.0000745800 -0.0040238601 -0.0019259616 0.0006438531 -0.0025890790 0.0025150424 -0.0009274659 -0.0000349738 -0.0007090853 -0.0006018700 -0.0007410322 0.0007922970 -0.0001215954 0.0088909431 -0.0079093755 0.0028964328 -0.0001960067 -0.0015792085 -0.0014324898 0.0017531449 -0.0022929942 -0.0001706608 0.0016352005 0.0074913636 0.0069453610 -0.0226453299 0.0190787067 -0.0043814808 -0.0001782008 0.0000449682 -0.0001665591 0.0001192382 -0.0000825337 0.0000565918 -0.0002929573 0.0001420238 0.0003281262 -0.0002682150 -0.0006399438 0.0004708098 -0.0020592422 0.0042414130 -0.0035574389 0.0056926859 0.0038315476 -0.0019643312 -0.0001897562 -0.0007519928 -0.0009713124 -0.0006636076 0.0037424771 -0.0018690059 0.0141368777 -0.0395361030 0.0343297996 -0.0054609324 -0.0052973905 -0.0105344975 0.0065544975 -0.0037459443 0.0125285346 -0.0227827038 0.0798899078 -0.0576860973 -0.0555893360 -0.0354780792 -0.0922153916 0.0001573229 0.0006207802 0.0016261110 -0.0019261896 0.0027255347 0.0790989671 0.0572662674 0.1036394890 -0.8863829383 -0.0301356265 -0.1499367289 -0.0617155047 0.0032332100 -0.0048515668 0.0164180260 -0.0503920106 0.0542080206 -0.0218113784 0.0152521632 0.0090783512 -0.1736023797 -0.0175880922 0.0148182731 -0.0068891698 0.0675237692 0.0120367647 -0.0221126259 0.1423151601 -0.1886139601 0.1042928479 0.0115030953 0.0060915354 -0.0009541379 -0.0277797405 -0.0712686733 -0.0212427781 -0.1084232264 -0.0002348848 0.0315804362 -0.0029051461 -0.0013254382 0.0032236622 0.0086465249 0.0226928156 0.0038209312 0.0002390233 -0.0060306007 -0.0331609551 0.0264491617 -0.0004424483 -0.0077845558 -0.0002293618 0.0001538538 -0.0007982141 -0.0005467626 0.0009334372 -0.0035356711 -0.0004345051 -0.0106486151 0.0435007202 0.0000209152 -0.0000331169 -0.0001236920 -0.0019515609 0.0004877528 -0.0000989353 0.0121620236 0.0060751191 -0.0020737656 0.0115279452 -0.0107041497 0.0039296249 -0.0003318146 -0.0012541395 -0.0012079624 0.0021517746 -0.0021468674 0.0005009641 -0.0271988260 0.0238244272 -0.0084745354 0.0002241432 0.0021363271 0.0023046479 -0.0014024117 0.0057954590 0.0030426633 -0.0072817430 -0.0503521665 -0.0427011795 0.0246623528 -0.0195732913 0.0056294908 -0.0003736539 0.0001239238 0.0005532130 0.0000447382 0.0000173166 -0.0000703362 0.0024933230 -0.0031665080 -0.0041330134 -0.0088240365 -0.0203896062 0.0177199143 -0.0557728925 0.1366411860 -0.1213687685 0.1863307083 0.1196333050 -0.0570630127 -0.0201171218 -0.0271184763 -0.0404433870 0.0046956672 0.0644390656 0.0046653269 0.1763113251 -0.4958463168 0.4404301668 -0.2263300833 -0.2580670122 -0.4922740441 -0.0069053846 0.0075035479 -0.0116540474 0.0335081736 -0.1143365705 0.0808310613 0.0375177022 0.0245405273 0.0618232304 0.0002101713 0.0000840733 -0.0007986547 0.0000354555 -0.0000499630 -0.0024527791 -0.0018652051 -0.0033212753 0.0281562397 0.0008224762 0.0037992227 0.0015541859 0.0002045366 -0.0002265991 -0.0000942603 -0.0019326113 0.0026013701 -0.0010300264 -0.0003596906 -0.0002415667 0.0021941696 0.0030728083 -0.0024530529 0.0011203096 -0.0133516242 -0.0023717366 0.0042773988 -0.0236347016 0.0315459009 -0.0173858490 -0.0005126184 -0.0002893117 0.0000277783 0.0011426871 0.0031677137 0.0009733811 0.0052396080 0.0000743554 -0.0013085343 0.0000210916 0.0000048240 -0.0000410268 0.0000954828 0.0000325030 0.0000065254 -0.0000072934 0.0000175822 0.0002172715 -0.0005414119 0.0000120264 0.0000883881 -0.0003459124 0.0000345960 0.0002997541 0.0000235663 0.0000268019 0.0003424814 -0.0002091098 0.0008021036 -0.0027843570 0.0002669611 -0.0002520768 -0.0000778520 -0.0057439678 0.0025999675 0.0002770233 0.0334908532 0.0169201780 -0.0055313357 0.0370161579 -0.0344698626 0.0126120821 -0.0022376876 -0.0138233317 -0.0111371042 0.0064104216 -0.0078802705 0.0005423179 -0.0805397398 0.0710550741 -0.0259415408 0.0034381731 0.0234357934 0.0193912956 -0.0060893555 0.0128439496 0.0041810751 -0.0139542681 -0.0795873790 -0.0685358231 0.0877062849 -0.0729076736 0.0179353471 -0.0002233663 0.0000553581 0.0004333345 -0.0000661646 0.0002000854 0.0002419556 0.0027675704 -0.0018943395 -0.0029447939 -0.0006454947 -0.0020744713 0.0020635672 -0.0065141857 0.0161120758 -0.0141704541 0.0173103077 0.0110846873 -0.0052608968 -0.0027682819 -0.0036095899 -0.0057792963 0.0003089129 0.0052865653 0.0001972437 0.0150189485 -0.0417582633 0.0370698415 -0.0179477428 -0.0203317839 -0.0389974304 0.0000260543 0.0001279888 0.0000722281 0.0003052965 -0.0010916107 0.0007352980 -0.0010286720 -0.0006509416 -0.0016454126 -0.0000350571 -0.0001410581 0.0000810904 0.0004655837 -0.0003568686 -0.0213985309 -0.0159326676 -0.0277444094 0.2399631262 0.0084502922 0.0399418196 0.0163765111 -0.0068797951 0.0087774937 -0.0154926482 0.0840005154 -0.1019834746 0.0397816943 -0.0088472334 -0.0043792439 0.1439421375 -0.0573821542 0.0494156803 -0.0235103322 0.2234560911 0.0401329606 -0.0714149965 0.4689322656 -0.6258827511 0.3444461870 0.0156497023 0.0103777369 -0.0004314906 -0.0466010957 -0.1186548313 -0.0350760251 -0.1457959510 -0.0015794314 0.0416144343 -0.0080592248 -0.0062156859 0.0048583669 0.0368180914 0.0822511972 0.0156678675 -0.0005948318 -0.0103953436 -0.0494905736 0.0626859943 -0.0028837935 -0.0188139442 0.0000896543 -0.0000865873 -0.0000170013 -0.0000871475 -0.0008102498 0.0012186034 0.0006701876 0.0039412244 -0.0154726478 -0.0000140480 0.0000413506 -0.0000098338 0.0076604271 -0.0039303734 -0.0005023282 -0.0431641645 -0.0221044425 0.0072520194 -0.0515989500 0.0477602680 -0.0174208343 0.0034358204 0.0211649901 0.0172940645 -0.0073828572 0.0093010501 -0.0005021835 0.0938390265 -0.0830032425 0.0297600806 -0.0045460371 -0.0288215874 -0.0237171254 0.0034555518 -0.0102086667 -0.0044435829 0.0121600511 0.0767888399 0.0657638060 -0.0557977080 0.0459313128 -0.0117528447 0.0006139055 -0.0000785421 -0.0004294597 -0.0001051755 0.0000775615 0.0000132211 -0.0028490438 0.0011461069 0.0027705743 -0.0017986307 -0.0046420675 0.0044862565 -0.0136767503 0.0335672235 -0.0296506650 0.0420870640 0.0268863883 -0.0129226264 -0.0059934389 -0.0079440951 -0.0125472793 0.0008428948 0.0126885990 0.0006296239 0.0359372163 -0.0998199631 0.0887157486 -0.0439736413 -0.0494196790 -0.0951267652 0.0002197301 0.0006891413 0.0006715025 0.0014027841 -0.0043427441 0.0027508107 -0.0061445251 -0.0038999812 -0.0102105789 -0.0002111162 0.0000576380 0.0007887492 -0.0001302274 0.0001617125 0.0098460179 0.0076849623 0.0130066732 -0.1121047288 -0.0036189284 -0.0163563741 -0.0066632286 0.0016182060 -0.0021120158 0.0044217889 -0.0206444056 0.0246058565 -0.0095882924 0.0029974021 0.0015796112 -0.0430005011 0.0115126085 -0.0100758460 0.0048276914 -0.0437624092 -0.0078258795 0.0139957791 -0.0952266238 0.1271861531 -0.0699839896 -0.0028953319 -0.0020705385 0.0000191228 0.0093809214 0.0237075015 0.0069903312 0.0265111651 0.0002742666 -0.0075726947 0.0019503189 0.0015251975 -0.0010924276 -0.0091341244 -0.0201282866 -0.0038565082 0.0001698153 0.0023952169 0.0111958720 -0.0148911545 0.0007478632 0.0045070714 -0.0001054755 0.0000426742 -0.0002634347 -0.0001079769 -0.0000390532 -0.0006685789 -0.0001499442 -0.0015857192 0.0064317763 0.0000669545 -0.0000050046 -0.0000841689 0.0391198469 -0.0199750540 -0.0021349586 -0.2168502937 -0.1111504718 0.0360289767 -0.2657949987 0.2461683422 -0.0896470168 0.0171892430 0.1030268378 0.0838488842 -0.0361807618 0.0462707494 -0.0020517000 0.4584118062 -0.4059981283 0.1457759150 -0.0238360402 -0.1495717157 -0.1220477086 0.0165401609 -0.0408128148 -0.0156023050 0.0461330115 0.2821533142 0.2433694193 -0.2517158422 0.2092415653 -0.0522344986 0.0010822581 -0.0006654466 -0.0020918099 0.0002828481 0.0000645473 0.0001478177 -0.0121730004 0.0081013184 0.0123204712 -0.0362455653 0.0145019048 -0.0812829680 0.1842044855 -0.4840394690 0.4138128747 -0.0093394428 0.0010824228 -0.0113999769 0.2588372453 0.3058649057 0.5646262454 0.0075496403 0.0116597646 0.0160576744 0.0097274597 -0.0160757430 0.0175519650 -0.1011663300 -0.1169092922 -0.2134291696 0.0011543044 -0.0000443236 0.0025252071 -0.0038163543 0.0063958070 -0.0050520450 -0.0111810436 -0.0074286991 -0.0215516646 0.0000303051 -0.0000178475 -0.0000697277 0.0000069670 -0.0000190397 -0.0005120457 -0.0003565017 -0.0006582128 0.0057769865 0.0002193288 0.0009640145 0.0004094487 0.0000125475 -0.0000143815 -0.0001314556 -0.0000744364 0.0001160940 -0.0001083305 -0.0001269460 -0.0000602439 0.0015584933 0.0003968118 -0.0001576852 0.0000256805 -0.0028622018 -0.0004262321 0.0009113742 -0.0017897414 0.0023933733 -0.0013284606 0.0012961356 0.0004814785 -0.0001964475 -0.0022271125 -0.0056113285 -0.0016448232 -0.0133498545 -0.0001584618 0.0040142381 -0.0019667622 -0.0005388115 0.0019891190 0.0047454045 0.0110412945 0.0022252746 0.0000407902 -0.0039427836 -0.0200501080 0.0186273342 -0.0007285449 -0.0056791579 -0.0000104204 -0.0000091959 0.0000390898 0.0000152333 0.0000011259 0.0000782156 -0.0000639708 0.0001780664 -0.0007231567 0.0000281907 -0.0000340327 0.0000373193 0.0010508595 -0.0000610935 0.0000723533 -0.0074734777 -0.0037518879 0.0012939621 -0.0052024379 0.0049099085 -0.0016846709 0.0001604762 -0.0005298527 -0.0003766669 -0.0006266222 0.0008562466 -0.0000106555 0.0080899916 -0.0072114618 0.0024386889 -0.0005421556 -0.0029632033 -0.0023769068 -0.0002401820 0.0002666389 0.0000080018 -0.0001300229 -0.0006621701 -0.0005306300 0.0029772896 -0.0024727333 0.0006122794 -0.0000649998 0.0000216450 -0.0000586913 0.0000403117 0.0000526856 0.0001190870 0.0001518981 -0.0001834942 -0.0000604227 0.0013543956 -0.0003393726 0.0026816572 -0.0060277284 0.0158705254 -0.0135140557 -0.0013989715 -0.0011329758 0.0009382236 -0.0088144267 -0.0104300087 -0.0192873599 -0.0003750362 -0.0007897009 -0.0007794288 -0.0009719634 0.0026321372 -0.0024576765 0.0055331142 0.0064932074 0.0119247922 0.0002835031 -0.0002732353 0.0005237672 -0.0012515476 0.0044189865 -0.0032268511 -0.0018929919 -0.0013263705 -0.0030246571 -0.0000060145 0.0001428905 0.0009018068 0.0000739356 -0.0002270364 -0.0046678810 -0.0034499963 -0.0055812339 0.0533680364 0.0020730073 0.0090800164 0.0038347701 0.0016046031 -0.0021994519 0.0008686787 -0.0196059467 0.0239929991 -0.0105347667 -0.0001223182 0.0001200719 -0.0033399786 0.0176703286 -0.0104734784 0.0037609807 -0.1022122178 -0.0159325397 0.0325256579 -0.1070616494 0.1429458416 -0.0789756680 0.0387679272 0.0140012387 -0.0060519245 -0.0656986365 -0.1641627440 -0.0478859153 -0.3990890747 -0.0041186058 0.1207797455 -0.0548860275 -0.0156003711 0.0545737584 0.1348519201 0.3139639366 0.0628557406 0.0005976539 -0.1082480529 -0.5508498618 0.5172105517 -0.0200127690 -0.1581127855 0.0001265215 -0.0000543959 -0.0004388721 0.0001661961 -0.0001121588 0.0000039004 -0.0000029591 0.0004975238 -0.0030537305 -0.0000218002 0.0000478698 -0.0001073862 -0.0000353632 -0.0003415160 -0.0000900268 0.0014699337 0.0006779017 -0.0002962818 -0.0012655414 0.0011354614 -0.0004118223 0.0002692934 0.0022719536 0.0018476632 -0.0002664762 0.0003235705 -0.0000272580 0.0033676731 -0.0029363402 0.0010739535 -0.0001712623 -0.0010111476 -0.0008161583 0.0000133223 -0.0003221404 -0.0002499416 0.0006886978 0.0037030452 0.0030576155 -0.0006447128 0.0004726487 -0.0001349525 -0.0000466531 0.0000076628 0.0000068732 0.0000189655 -0.0000109449 -0.0000018062 0.0002357831 -0.0001786639 -0.0002509129 -0.0019147353 -0.0020272889 0.0005439236 -0.0025938880 0.0057226962 -0.0053909950 0.0229873564 0.0146702200 -0.0074668714 0.0026287366 0.0026123801 0.0058584715 0.0005822599 0.0037052428 0.0008550092 0.0102604538 -0.0264286983 0.0243616533 -0.0160705695 -0.0172843578 -0.0341400092 0.0005977678 0.0001668492 0.0011146908 -0.0007264836 0.0023748684 -0.0018954430 -0.0067792549 -0.0043912415 -0.0112217274 -0.0002844838 -0.0000139899 0.0009292985 0.0000490779 -0.0001871113 0.0026072238 0.0025327203 0.0037639606 -0.0322397006 -0.0004190316 -0.0006013250 -0.0001592849 0.0001230141 -0.0001638109 0.0006608711 -0.0020326940 0.0022090716 -0.0008567449 0.0006345692 0.0003345811 -0.0071450960 0.0005772709 -0.0006124524 0.0003069132 -0.0013986294 -0.0001727639 0.0004496253 -0.0054848391 0.0074157368 -0.0040737034 -0.0002743719 -0.0001843366 0.0000073036 0.0009463531 0.0022219556 0.0006541625 0.0024124116 -0.0000051712 -0.0007330495 0.0001123895 0.0002648941 0.0001292369 -0.0013857899 -0.0029133097 -0.0005763186 0.0000783112 -0.0001456512 -0.0011453611 -0.0000218079 0.0000220156 0.0000475528 -0.0000439366 -0.0000026189 -0.0002867557 -0.0001551960 -0.0002741128 -0.0003741113 0.0001362256 -0.0004602772 0.0021952651 0.0000291576 0.0000325836 -0.0000695640 -0.0650854497 0.0164972348 -0.0008245027 0.4148733376 0.2108957005 -0.0723956781 0.3778191678 -0.3520417686 0.1271107827 -0.0163936370 -0.0531031237 -0.0423191091 0.0001540168 -0.0077481024 -0.0044773576 -0.0216337062 0.0154015385 -0.0044676745 0.0141016832 0.0755512858 0.0559248251 0.0243722496 -0.0562461397 -0.0204768632 0.0620915623 0.3775096549 0.3213004941 -0.3520637536 0.2945421111 -0.0722519150 0.0021163793 -0.0011443107 -0.0026705497 -0.0000815377 0.0000569751 0.0003088620 -0.0182489165 0.0120601436 0.0193370815 0.0026478604 0.0031180000 -0.0009392826 0.0052149131 -0.0119267813 0.0107371754 -0.0323143476 -0.0203834925 0.0104823613 -0.0042269487 -0.0046348911 -0.0099603549 -0.0002309914 -0.0009435598 -0.0004218979 -0.0028864141 0.0062688689 -0.0062536956 0.0051411317 0.0052218748 0.0109497491 -0.0004538709 0.0001901715 -0.0007330321 0.0012866634 -0.0043304592 0.0032088863 0.0035783782 0.0023980562 0.0057841483 0.0000740901 0.0001005731 -0.0005676226 -0.0000178082 0.0002606138 -0.0012902893 -0.0011748258 -0.0018585363 0.0169179123 -0.0002143435 -0.0016632110 -0.0008831437 -0.0000112406 0.0000373700 -0.0003865109 0.0005892852 -0.0006041753 0.0002016036 -0.0004423225 -0.0002542268 0.0045765777 -0.0001989749 0.0002691066 -0.0001434934 -0.0000773498 -0.0000810977 -0.0000533051 0.0023696369 -0.0031205973 0.0017334291 -0.0005389912 -0.0000824317 0.0001289080 0.0002977677 0.0008967974 0.0002430825 0.0060251944 0.0001408390 -0.0017533482 -0.0001167351 -0.0003597306 -0.0003115173 0.0017803053 0.0036981308 0.0005902115 -0.0000601783 0.0005704842 0.0031425054 -0.0002268649 -0.0000956987 0.0000493081 0.0000192460 -0.0000427698 0.0001994364 0.0000804871 0.0000609423 0.0003890747 -0.0002115768 0.0007429179 -0.0031852890 0.0000449930 -0.0000862209 0.0000530989 -0.0503928538 -0.0514162192 -0.0236431396 0.5012952442 0.2408291230 -0.0898615020 0.0627773610 -0.0731329445 0.0228078190 0.0391944233 0.4425579249 0.3528284002 -0.0261300799 0.0302985780 -0.0032917242 0.3192780440 -0.2801613510 0.1003420677 -0.0155912982 -0.0854016688 -0.0651215907 -0.0141410240 0.0306307439 0.0106267752 -0.0306395974 -0.1925012175 -0.1652504715 0.2046580544 -0.1685244531 0.0391593195 -0.0014780263 0.0009515939 0.0007078650 0.0004974131 -0.0001932242 -0.0000553717 0.0080937126 -0.0057034395 -0.0079022050 0.0001146333 0.0001883022 -0.0002254584 0.0005101728 -0.0012606100 0.0011498471 -0.0023355090 -0.0014301210 0.0007491935 0.0004105905 0.0004954409 0.0008411681 -0.0000582940 -0.0001138885 -0.0001055405 -0.0000088070 0.0005060727 -0.0004643992 0.0007828238 0.0009386253 0.0017284012 0.0001112342 -0.0002114948 0.0001609179 -0.0007419603 0.0022546671 -0.0016744037 -0.0001900830 -0.0002464212 -0.0002505008 0.0000838882 0.0001419447 0.0011677466 0.0000983123 -0.0000561138 -0.0043985610 -0.0038770094 -0.0051854977 0.0502901011 0.0015917964 0.0074739170 0.0036569315 0.0010530419 -0.0014863475 0.0003327716 -0.0120905342 0.0163695971 -0.0059761981 -0.0004853858 0.0000976791 0.0007890711 0.0134781958 -0.0053600561 0.0016125792 -0.0999749383 -0.0155774508 0.0370884386 -0.0634948892 0.0828109758 -0.0477109538 0.0681568443 0.0187900758 -0.0129026226 -0.0929336223 -0.2275276906 -0.0649013245 -0.7077749072 -0.0062175614 0.2093335864 0.0191055185 -0.0187557309 -0.0485907155 0.0641136807 0.1290183078 0.0164203051 -0.0056999408 0.0874040328 0.4787865081 -0.2984177292 0.0135173717 0.0833496361 0.0002265194 -0.0000861365 -0.0005217143 0.0000660872 -0.0002548621 0.0001901639 0.0001838257 0.0010521684 -0.0053739248 -0.0000482236 0.0000816253 -0.0001348601 -0.0002978013 -0.0001806019 -0.0001341692 0.0022954715 0.0011039649 -0.0003659895 0.0010573093 -0.0010678668 0.0003513161 0.0001609722 0.0020999735 0.0016793762 -0.0000067308 -0.0000329408 -0.0000349575 0.0001843685 -0.0001050364 0.0000489802 0.0000503566 0.0004390538 0.0003646591 -0.0001561213 -0.0002547420 -0.0003168780 0.0007662965 0.0043934502 0.0034560446 0.0011517184 -0.0011154666 0.0001640528 0.0000843782 0.0000298766 0.0000135337 -0.0000393240 0.0000093027 -0.0000061028 0.0000500424 -0.0003427295 -0.0001298090 -0.0608654904 -0.0649285285 0.0101615459 -0.0926200498 0.2069574759 -0.1872918194 0.6860125717 0.4277667578 -0.2256399473 0.1262138625 0.1467763918 0.2968967642 -0.0014331658 -0.0193399809 -0.0011017878 -0.0508511634 0.1440872530 -0.1257216981 0.0628073003 0.0738332567 0.1374039544 0.0013017805 -0.0016857598 0.0013077128 -0.0050806737 0.0233642822 -0.0169554193 0.0002241773 -0.0006711099 -0.0021809382 0.0000692638 -0.0002032483 0.0001260333 -0.0000128779 -0.0000604691 0.0000604224 0.0000383511 0.0000786354 -0.0009296711 0.0000707445 0.0006013276 0.0002917562 0.0000277043 -0.0000331412 0.0000276246 -0.0003722678 0.0004428464 -0.0001647009 0.0000310020 0.0000039757 -0.0001836951 0.0001092565 -0.0000747180 0.0000325031 -0.0005590687 -0.0000843457 0.0002004246 -0.0007432998 0.0009819340 -0.0005620920 0.0001907475 0.0000192211 -0.0000480472 -0.0000554849 -0.0002069948 -0.0000558430 -0.0021556291 -0.0000607632 0.0006183115 0.0001469176 0.0001230652 0.0000246175 -0.0006481077 -0.0014275527 -0.0002353562 0.0000262067 -0.0000738190 -0.0004294744 -0.0011845361 0.0000849504 0.0003642735 0.0000803982 0.0000488046 -0.0000379643 0.0000130820 0.0001244677 -0.0000553024 0.0000045588 -0.0003506894 0.0008066634 -0.0001577643 0.0001843737 0.0000081385 -0.0002048784 -0.0067385140 -0.0023921221 0.0211620076 0.0096168754 -0.0038634670 -0.0236241084 0.0206991180 -0.0083081108 0.0050263904 0.0502647956 0.0404080812 0.0012237381 -0.0021773309 -0.0003128562 -0.0163876625 0.0148711651 -0.0051342980 0.0015893423 0.0107196455 0.0087359420 -0.0000838636 0.0007504716 0.0004563019 -0.0008487075 -0.0070751906 -0.0062153694 0.0024568087 -0.0021984391 0.0006217579 -0.0002095376 0.0000631423 0.0000836337 0.0000736779 -0.0000772314 -0.0000676783 0.0006889778 -0.0003140324 -0.0005920494 0.0039055385 0.0044116510 -0.0008074614 0.0069978099 -0.0160423496 0.0142821046 -0.0449753114 -0.0276832800 0.0147220409 -0.0082868723 -0.0097759234 -0.0197522014 0.0003581792 0.0021327588 0.0006128722 0.0057008306 -0.0136298549 0.0127655508 -0.0092382749 -0.0103259789 -0.0200846391 0.0001207949 0.0002213370 0.0001166985 0.0002714448 -0.0021601785 0.0015311349 -0.0019608973 -0.0011875529 -0.0028325144 -0.0000218425 -0.0001032140 0.0002524793 0.0000096407 -0.0003453265 0.0004928027 0.0006486946 0.0007875715 -0.0079935885 0.0005739835 0.0035240155 0.0016871180 0.0000306531 -0.0000340372 0.0001390862 -0.0006455534 0.0006234847 -0.0002207578 0.0001850465 0.0000670770 -0.0015139756 0.0001885452 -0.0001635857 0.0000695097 -0.0006986230 -0.0000550735 0.0002779251 -0.0015084121 0.0020723366 -0.0011393848 0.0002760461 0.0001488408 -0.0000179310 -0.0006351568 -0.0016668135 -0.0004498121 -0.0024862948 -0.0000632041 0.0007314129 0.0007420343 0.0011447322 0.0006870108 -0.0057467271 -0.0126696935 -0.0020831948 0.0002451005 -0.0012555663 -0.0073849111 -0.0034383911 0.0003163150 0.0011721762 -0.0000588718 0.0000090900 -0.0000493082 -0.0000753834 -0.0000300798 -0.0002043935 0.0001176090 -0.0003789369 0.0018260693 -0.0000377976 0.0000557165 -0.0000170486 0.0152546450 -0.0660705773 -0.0213271462 0.0878034479 0.0350141295 -0.0161232768 -0.3208873618 0.2890438864 -0.1136608805 0.0501768173 0.4682299336 0.3807971124 0.0286709199 -0.0453122160 -0.0038277484 -0.3705884705 0.3282424565 -0.1181262993 0.0307309260 0.2059451819 0.1626913470 0.0111102534 -0.0233526560 -0.0079290058 0.0267207665 0.1502012268 0.1248521416 -0.1584523786 0.1287368082 -0.0291510013 0.0012169437 -0.0006979579 -0.0007758964 -0.0003959620 0.0001248989 0.0001252919 -0.0084921786 0.0057525690 0.0094445898 -0.0000851358 -0.0001116080 0.0000098509 -0.0001990548 0.0004435657 -0.0004017972 0.0009325677 0.0005886072 -0.0003091588 0.0002444305 0.0003021610 0.0006002405 0.0000384788 -0.0000325072 0.0000968029 -0.0002693593 0.0006904070 -0.0006291619 -0.0001799218 -0.0003013198 -0.0005074944 -0.0000585048 -0.0000556056 -0.0001238813 -0.0000370511 0.0000809210 -0.0000060665 0.0007072462 0.0005200666 0.0012955439 0.0000155936 -0.0001403766 -0.0005090081 -0.0000203296 -0.0000183043 0.0023464456 0.0027790714 0.0032749174 -0.0266312872 -0.0008295064 -0.0036605314 -0.0021176091 0.0017740848 -0.0021667711 0.0025160500 -0.0230052113 0.0270642375 -0.0114944378 0.0012687117 0.0012289324 -0.0201652069 -0.0030436618 -0.0001060054 0.0007916600 0.0324674900 0.0049021441 -0.0128409932 0.0051779471 -0.0058666050 0.0038130253 -0.0283472689 -0.0152093974 0.0020456309 0.0707169283 0.1781429794 0.0493639156 0.2615943044 0.0019705895 -0.0761096075 -0.0429442977 -0.0654620432 -0.0388333792 0.3270725483 0.7256255046 0.1171734009 -0.0126598380 0.0718278240 0.4184011955 0.2025767590 -0.0179552909 -0.0684361571 -0.0000958668 0.0000735255 0.0002529029 -0.0000816704 0.0002197540 -0.0004125052 -0.0001511499 -0.0012304019 0.0059605213 -0.0000159414 0.0000218782 0.0000523840 0.0005576421 -0.0008057471 -0.0002281602 -0.0016568829 -0.0009063929 0.0002781861 -0.0056727698 0.0052628129 -0.0020333725 0.0006411141 0.0053362575 0.0043717191 0.0005648364 -0.0008063024 -0.0000218264 -0.0072725539 0.0063532296 -0.0022849884 0.0005100741 0.0032219820 0.0025386926 0.0004767642 -0.0007077050 -0.0001136985 0.0005709547 0.0029644000 0.0026309905 -0.0062401804 0.0053346875 -0.0011731889 0.0000860819 -0.0000679566 -0.0000392499 -0.0000346332 0.0000218188 -0.0000102826 -0.0005753319 0.0006074130 0.0007086211 -0.0067139279 0.0028855690 -0.0148978262 0.0385307854 -0.0934385072 0.0761844782 -0.0012886732 -0.0009388784 -0.0001780436 0.0454875355 0.0620255615 0.1120497937 -0.0362066316 0.0122506642 -0.0835946691 0.1609341245 -0.4723429775 0.4051428599 0.2706414193 0.3245278839 0.5855455442 -0.0065054621 0.0044434466 -0.0124650789 0.0211130371 -0.0826108192 0.0605458562 0.0549748211 0.0326264730 0.0823802738 -0.0000038531 0.0001350949 -0.0008284679 -0.0000012042 0.0000051007 -0.0000720910 0.0000080332 -0.0001464156 0.0008105839 0.0000157051 0.0000272264 0.0000452680 0.0000091763 -0.0000078273 -0.0000343630 -0.0000648175 0.0000822980 -0.0000561826 -0.0000361956 -0.0000135710 0.0004987565 0.0000198954 0.0000112891 -0.0000163746 -0.0003371298 -0.0000412915 0.0001168183 0.0000877131 -0.0000651994 0.0000396087 -0.0001720191 -0.0000214400 0.0000380777 0.0000814640 0.0002606800 0.0000814376 0.0020445421 0.0000152246 -0.0005030056 0.0000278449 -0.0000211528 -0.0000407250 0.0000803499 0.0001394896 0.0000202717 0.0000083662 0.0000772580 0.0003978458 -0.0004489988 0.0000247496 0.0001356813 -0.0003748559 0.0000647181 0.0003626863 0.0000039442 -0.0000570644 0.0004011946 -0.0002515659 0.0010517733 -0.0033359062 0.0002903565 -0.0001983270 0.0002936438 -0.0000028506 -0.0000336093 0.0000318380 0.0004385052 0.0002234362 -0.0000768473 -0.0004659469 0.0004463084 -0.0001724908 0.0000226040 -0.0004340765 -0.0000138668 0.0001412062 -0.0003286923 -0.0000758474 -0.0021431854 0.0016817564 -0.0007090967 0.0003271230 0.0020813433 0.0015595003 0.0001759447 -0.0008547907 -0.0004717656 0.0005805679 0.0082470936 0.0068732963 -0.0037266922 0.0031385746 -0.0007780050 0.0000464752 -0.0000099371 -0.0001185281 0.0000585420 -0.0002783466 -0.0001563318 -0.0006062877 0.0008468706 0.0007470929 -0.0000097649 0.0000346152 -0.0000707970 0.0002474729 -0.0005804531 0.0004577886 -0.0003837716 -0.0001664234 0.0001242495 0.0001371805 0.0002048265 0.0003476927 -0.0001053726 0.0001501598 -0.0002235569 0.0006880562 -0.0020272402 0.0018736675 0.0004846546 0.0006815967 0.0009374062 -0.0001139155 -0.0002916485 -0.0002665511 0.0005405643 -0.0008310826 0.0002264842 0.0021766641 0.0017777867 0.0043668066 -0.0016340900 0.0040834109 0.0006741095 0.0016555408 -0.0015687361 -0.0040789757 -0.0015398435 -0.0055397511 0.0449156529 0.0001274550 0.0150214907 0.0052108054 0.0001749702 0.0001790285 -0.0008276804 -0.0015565098 -0.0002928765 0.0007545811 -0.0036084003 -0.0004241432 0.0104601298 -0.0000485217 0.0002414376 -0.0001281188 -0.0016531254 -0.0005159097 0.0004666140 0.0014173043 -0.0026328284 0.0006211796 0.0003871617 0.0001669030 -0.0000318226 -0.0011494340 -0.0023244501 -0.0006086995 -0.0031790190 0.0002579190 0.0013372207 0.0001968183 0.0002125989 0.0000936572 -0.0008593061 -0.0024423563 -0.0002783352 0.0000482176 -0.0002454327 -0.0009408112 -0.0016063517 0.0000727668 0.0004133915 0.0000481510 -0.0002483776 0.0006688301 -0.0024297678 0.0190890212 -0.0831692875 0.0334190343 -0.2525890436 0.9618250619 0.0001996219 -0.0003179120 0.0000423008 -0.0001018397 -0.0000161825 0.0000061743 0.0010081939 0.0004877142 -0.0001911806 0.0003296107 -0.0003953612 0.0001525978 -0.0000610645 0.0000528896 0.0000622657 -0.0001355681 0.0000658166 -0.0000424745 0.0015717517 -0.0012331714 0.0004603582 0.0001590274 0.0005105801 0.0002971809 -0.0003618290 0.0002327935 0.0000097291 -0.0007685287 0.0004581729 0.0009711298 0.0033128842 -0.0032210217 0.0005161738 -0.0005550827 -0.0005103904 -0.0007948099 0.0004588450 -0.0002779718 0.0003265759 -0.0038292088 0.0065650938 0.0066779675</array>
                  </module>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="3.62351885" y3="-2.74773388" z3="-0.98462322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="3.94136944" y3="-3.55209523" z3="-0.2941217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="4.52845663" y3="-2.18876355" z3="-1.28232867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="3.21797384" y3="-3.23222672" z3="-1.89293916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="2.59272261" y3="-1.82855313" z3="-0.33595502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="2.31298816" y3="-1.02187362" z3="-1.03318895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="2.99490107" y3="-1.32869771" z3="0.56061778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="1.31919058" y3="-2.57002881" z3="0.06382387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="1.57815261" y3="-3.45158903" z3="0.67993183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="0.78672797" y3="-2.91859671" z3="-0.84088484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-0.25004682" y3="-0.80095336" z3="0.2322676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.80837241" y3="1.1314709" z3="0.7022454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.73206279" y3="1.26280274" z3="-0.39265064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.61427929" y3="2.13462273" z3="1.14377434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-3.25388163" y3="0.7503248" z3="1.07376085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.94130501" y3="1.55977976" z3="0.7531121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-3.33503313" y3="0.70455012" z3="2.17742654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-3.73537263" y3="-0.58877213" z3="0.50552688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-4.7815457" y3="-0.75792571" z3="0.83504181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-3.12700564" y3="-1.39606592" z3="0.95161401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-3.6573012" y3="-0.71999771" z3="-1.01998801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-4.05532091" y3="-1.71337317" z3="-1.30336222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-2.59619539" y3="-0.71253449" z3="-1.32694701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-4.42597055" y3="0.35870613" z3="-1.78158049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-3.98100234" y3="1.3569018" z3="-1.62358133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-4.41345902" y3="0.1635318" z3="-2.8691922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-5.48423345" y3="0.40977527" z3="-1.45902298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.30652735" y3="-0.78793755" z3="-1.00555488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-0.75081027" y3="0.15799632" z3="1.13620768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-0.72693363" y3="-0.13103936" z3="2.19261265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="0.46864854" y3="-1.79523592" z3="0.86482635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="2.72056483" y3="3.05092713" z3="-1.81243945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="3.69998424" y3="3.53316308" z3="-1.99050964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.93237133" y3="3.776882" z3="-2.08643976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="2.63213939" y3="2.19499776" z3="-2.50593643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="2.56910002" y3="2.58987629" z3="-0.36487635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="3.37153306" y3="1.87744628" z3="-0.10592059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="2.69517841" y3="3.45559577" z3="0.3149494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="1.23036603" y3="1.90194163" z3="-0.09116157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="1.09228607" y3="1.06946463" z3="-0.8056372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.39455796" y3="2.60488338" z3="-0.26349584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="1.16963642" y3="1.36522437" z3="1.34088579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="2.08737323" y3="0.68624614" z3="1.80068564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="0.5409968" y3="1.99189585" z3="2.02875922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" 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 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 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 a42" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" 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:3.6235,-2.7477,-.9846;3.9414,-3.5521,-.2941;4.5285,-2.1888,-1.2823;3.218,-3.2322,-1.8929;2.5927,-1.8286,-.336;2.313,-1.0219,-1.0332;2.9949,-1.3287,.5606;1.3192,-2.57,.0638;1.5782,-3.4516,.6799;.7867,-2.9186,-.8409;-.25,-.801,.2323;-1.8084,1.1315,.7022;-1.7321,1.2628,-.3927;-1.6143,2.1346,1.1438;-3.2539,.7503,1.0738;-3.9413,1.5598,.7531;-3.335,.7046,2.1774;-3.7354,-.5888,.5055;-4.7815,-.7579,.835;-3.127,-1.3961,.9516;-3.6573,-.72,-1.02;-4.0553,-1.7134,-1.3034;-2.5962,-.7125,-1.3269;-4.426,.3587,-1.7816;-3.981,1.3569,-1.6236;-4.4135,.1635,-2.8692;-5.4842,.4098,-1.459;-.3065,-.7879,-1.0056;-.7508,.158,1.1362;-.7269,-.131,2.1926;.4686,-1.7952,.8648;2.7206,3.0509,-1.8124;3.7,3.5332,-1.9905;1.9324,3.7769,-2.0864;2.6321,2.195,-2.5059;2.5691,2.5899,-.3649;3.3715,1.8774,-.1059;2.6952,3.4556,.3149;1.2304,1.9019,-.0912;1.0923,1.0695,-.8056;.3946,2.6049,-.2635;1.1696,1.3652,1.3409;2.0874,.6862,1.8007;.541,1.9919,2.0288;</scalar>
</formula>
</molecule>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="3.62351885" y3="-2.74773388" z3="-0.98462322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="3.94136944" y3="-3.55209523" z3="-0.2941217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="4.52845663" y3="-2.18876355" z3="-1.28232867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="3.21797384" y3="-3.23222672" z3="-1.89293916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="2.59272261" y3="-1.82855313" z3="-0.33595502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="2.31298816" y3="-1.02187362" z3="-1.03318895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="2.99490107" y3="-1.32869771" z3="0.56061778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="1.31919058" y3="-2.57002881" z3="0.06382387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="1.57815261" y3="-3.45158903" z3="0.67993183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="0.78672797" y3="-2.91859671" z3="-0.84088484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-0.25004682" y3="-0.80095336" z3="0.2322676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.80837241" y3="1.1314709" z3="0.7022454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.73206279" y3="1.26280274" z3="-0.39265064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.61427929" y3="2.13462273" z3="1.14377434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-3.25388163" y3="0.7503248" z3="1.07376085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.94130501" y3="1.55977976" z3="0.7531121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-3.33503313" y3="0.70455012" z3="2.17742654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-3.73537263" y3="-0.58877213" z3="0.50552688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-4.7815457" y3="-0.75792571" z3="0.83504181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-3.12700564" y3="-1.39606592" z3="0.95161401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-3.6573012" y3="-0.71999771" z3="-1.01998801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-4.05532091" y3="-1.71337317" z3="-1.30336222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-2.59619539" y3="-0.71253449" z3="-1.32694701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-4.42597055" y3="0.35870613" z3="-1.78158049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-3.98100234" y3="1.3569018" z3="-1.62358133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-4.41345902" y3="0.1635318" z3="-2.8691922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-5.48423345" y3="0.40977527" z3="-1.45902298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.30652735" y3="-0.78793755" z3="-1.00555488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-0.75081027" y3="0.15799632" z3="1.13620768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-0.72693363" y3="-0.13103936" z3="2.19261265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="0.46864854" y3="-1.79523592" z3="0.86482635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="2.72056483" y3="3.05092713" z3="-1.81243945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="3.69998424" y3="3.53316308" z3="-1.99050964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.93237133" y3="3.776882" z3="-2.08643976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="2.63213939" y3="2.19499776" z3="-2.50593643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="2.56910002" y3="2.58987629" z3="-0.36487635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="3.37153306" y3="1.87744628" z3="-0.10592059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="2.69517841" y3="3.45559577" z3="0.3149494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="1.23036603" y3="1.90194163" z3="-0.09116157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="1.09228607" y3="1.06946463" z3="-0.8056372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.39455796" y3="2.60488338" z3="-0.26349584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="1.16963642" y3="1.36522437" z3="1.34088579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="2.08737323" y3="0.68624614" z3="1.80068564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="0.5409968" y3="1.99189585" z3="2.02875922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" 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 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 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 a42" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" 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:3.6235,-2.7477,-.9846;3.9414,-3.5521,-.2941;4.5285,-2.1888,-1.2823;3.218,-3.2322,-1.8929;2.5927,-1.8286,-.336;2.313,-1.0219,-1.0332;2.9949,-1.3287,.5606;1.3192,-2.57,.0638;1.5782,-3.4516,.6799;.7867,-2.9186,-.8409;-.25,-.801,.2323;-1.8084,1.1315,.7022;-1.7321,1.2628,-.3927;-1.6143,2.1346,1.1438;-3.2539,.7503,1.0738;-3.9413,1.5598,.7531;-3.335,.7046,2.1774;-3.7354,-.5888,.5055;-4.7815,-.7579,.835;-3.127,-1.3961,.9516;-3.6573,-.72,-1.02;-4.0553,-1.7134,-1.3034;-2.5962,-.7125,-1.3269;-4.426,.3587,-1.7816;-3.981,1.3569,-1.6236;-4.4135,.1635,-2.8692;-5.4842,.4098,-1.459;-.3065,-.7879,-1.0056;-.7508,.158,1.1362;-.7269,-.131,2.1926;.4686,-1.7952,.8648;2.7206,3.0509,-1.8124;3.7,3.5332,-1.9905;1.9324,3.7769,-2.0864;2.6321,2.195,-2.5059;2.5691,2.5899,-.3649;3.3715,1.8774,-.1059;2.6952,3.4556,.3149;1.2304,1.9019,-.0912;1.0923,1.0695,-.8056;.3946,2.6049,-.2635;1.1696,1.3652,1.3409;2.0874,.6862,1.8007;.541,1.9919,2.0288;</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">-774.605830836649</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.394254562147</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-774.211576274502</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">0.412001063274</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.415777801551</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-774.190053035098</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">0.000053556126</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">0.000118881678</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.344235650138</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-774.261595186511</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">-774.605830836649</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.394254562147</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-774.211576274502</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">0.412001063274</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.415777801551</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-774.190053035098</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">0.000053556126</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">0.000118881678</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.344235650138</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-774.261595186511</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule cmlx:templateRef="atom" id="molecule">
               <atomArray>
                  <atom elementType="C" id="a1" x3="-2.85680586" y3="-3.99464926" z3="10.96529556">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a2" x3="-3.90098997" y3="-4.34946079" z3="11.05806868">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a3" x3="-2.53427493" y3="-3.64710532" z3="11.96288053">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a4" x3="-2.23252228" y3="-4.86869288" z3="10.69967235">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a5" x3="-2.73336166" y3="-2.88505698" z3="9.92521333">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a6" x3="-1.6907812" y3="-2.53118724" z3="9.87117108">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a7" x3="-3.3395234" y3="-2.00349635" z3="10.1914173">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a8" x3="-3.14915879" y3="-3.3443783" z3="8.52963824">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a9" x3="-4.15469289" y3="-3.80363846" z3="8.57182888">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a10" x3="-2.43409485" y3="-4.09971995" z3="8.15326553">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a11" x3="-2.08877847" y3="-1.73860687" z3="7.14486426">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="C" id="a12" x3="-1.20707744" y3="0.15830099" z3="5.72787268">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a13" x3="-0.2333149" y3="-0.26796726" z3="6.03110599">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a14" x3="-1.13838222" y3="1.25041748" z3="5.93157857">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a15" x3="-1.38655145" y3="-0.00344431" z3="4.20655072">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a16" x3="-0.57136799" y3="0.53500633" z3="3.68106933">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a17" x3="-2.32526544" y3="0.50148242" z3="3.90551272">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a18" x3="-1.44700381" y3="-1.4530045" z3="3.71357527">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a19" x3="-1.57660298" y3="-1.44734945" z3="2.61137602">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a20" x3="-2.34987699" y3="-1.92834539" z3="4.13748382">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a21" x3="-0.2360743" y3="-2.32032597" z3="4.07677519">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a22" x3="-0.38887185" y3="-3.32775708" z3="3.64405023">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a23" x3="-0.2071217" y3="-2.45523736" z3="5.17276138">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a24" x3="1.10072532" y3="-1.76656361" z3="3.5860699">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a25" x3="1.35163526" y3="-0.81645466" z3="4.08974858">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a26" x3="1.92441713" y3="-2.47366929" z3="3.79266648">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a27" x3="1.08626217" y3="-1.57303516" z3="2.49569871">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="O" id="a28" x3="-1.02189848" y3="-2.33965747" z3="7.33478321">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="C" id="a29" x3="-2.27940359" y3="-0.46311722" z3="6.57543965">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a30" x3="-3.31903966" y3="-0.1919843" z3="6.36155427">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="O" id="a31" x3="-3.26442067" y3="-2.28324881" z3="7.62076549">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="C" id="a32" x3="0.84988146" y3="0.62792347" z3="10.83351656">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a33" x3="1.01751512" y3="0.96862188" z3="11.87243255">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a34" x3="1.60743463" y3="1.11586784" z3="10.19214373">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a35" x3="1.04242033" y3="-0.45973088" z3="10.7973363">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a36" x3="-0.56544028" y3="0.94116249" z3="10.35425243">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a37" x3="-1.30685757" y3="0.45767714" z3="11.01383996">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a38" x3="-0.74998924" y3="2.03093593" z3="10.43083274">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a39" x3="-0.83417202" y3="0.46543842" z3="8.92531841">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a40" x3="-0.60154401" y3="-0.61268187" z3="8.8472138">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a41" x3="-0.16331307" y3="0.98316559" z3="8.21517182">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a42" x3="-2.29303144" y3="0.70611761" z3="8.52995042">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="O" id="a43" x3="-3.21380935" y3="0.35210261" z3="9.2658238">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="H" id="a44" x3="-2.43323845" y3="1.5847341" z3="7.84478634">
                     <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 a8" 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 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 a29" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a42 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:-2.8568,-3.9946,10.9653;-3.901,-4.3495,11.0581;-2.5343,-3.6471,11.9629;-2.2325,-4.8687,10.6997;-2.7334,-2.8851,9.9252;-1.6908,-2.5312,9.8712;-3.3395,-2.0035,10.1914;-3.1492,-3.3444,8.5296;-4.1547,-3.8036,8.5718;-2.4341,-4.0997,8.1533;-2.0888,-1.7386,7.1449;-1.2071,.1583,5.7279;-.2333,-.268,6.0311;-1.1384,1.2504,5.9316;-1.3866,-.0034,4.2066;-.5714,.535,3.6811;-2.3253,.5015,3.9055;-1.447,-1.453,3.7136;-1.5766,-1.4473,2.6114;-2.3499,-1.9283,4.1375;-.2361,-2.3203,4.0768;-.3889,-3.3278,3.6441;-.2071,-2.4552,5.1728;1.1007,-1.7666,3.5861;1.3516,-.8165,4.0897;1.9244,-2.4737,3.7927;1.0863,-1.573,2.4957;-1.0219,-2.3397,7.3348;-2.2794,-.4631,6.5754;-3.319,-.192,6.3616;-3.2644,-2.2832,7.6208;.8499,.6279,10.8335;1.0175,.9686,11.8724;1.6074,1.1159,10.1921;1.0424,-.4597,10.7973;-.5654,.9412,10.3543;-1.3069,.4577,11.0138;-.75,2.0309,10.4308;-.8342,.4654,8.9253;-.6015,-.6127,8.8472;-.1633,.9832,8.2152;-2.293,.7061,8.53;-3.2138,.3521,9.2658;-2.4332,1.5847,7.8448;</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">-774.605830836649</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">-0.000048995114 -0.000027541567 0.000024027966 0.000034160185 -0.000013925676 -0.000010549403 -0.000002368480 -0.000010210030 -0.000036753776 0.000008016775 0.000043499695 0.000025911632 0.000046361251 0.000005798236 -0.000013846195 -0.000020959819 -0.000007808889 0.000002979201 0.000015014069 -0.000014417749 -0.000016993393 -0.000007261192 -0.000007101904 0.000000660896 0.000014354959 0.000017387152 -0.000000031817 -0.000017939164 0.000013443526 0.000006776609 0.000000081569 0.000001500828 0.000003154448 0.000002278240 0.000003481830 -0.000005637427 0.000003664207 -0.000000150034 0.000001239864 0.000001817440 0.000003338415 -0.000001860093 0.000000245086 0.000007078369 0.000000390957 -0.000002866633 -0.000001024020 0.000002550736 0.000004591350 -0.000000864878 0.000003136277 -0.000003184802 -0.000008423418 -0.000003020269 -0.000000022187 -0.000000701904 0.000013553277 0.000007400485 0.000003273670 -0.000002509315 -0.000009279108 0.000002957371 0.000004333281 -0.000004236088 -0.000002092643 0.000000955716 -0.000001500041 0.000001875160 -0.000006024504 -0.000000532575 -0.000000782378 0.000000965195 0.000001372336 0.000000647750 0.000000709394 -0.000002473593 -0.000001011025 0.000002000840 0.000000273316 -0.000002855624 0.000000095905 -0.000000128303 0.000001020255 -0.000004689770 -0.000000321006 0.000000491644 0.000002841039 -0.000003137731 0.000004911916 0.000000760127 -0.000010600857 -0.000002762473 0.000001877209 -0.000013028957 -0.000022233356 0.000012192298 0.000001425568 0.000011413407 0.000001251756 0.000006125826 0.000002482610 -0.000010777184 0.000000156481 -0.000001462765 0.000006758627 0.000005045344 0.000004836465 -0.000001375051 -0.000007151650 -0.000003952240 0.000004848093 -0.000000554642 0.000002376573 -0.000000061983 -0.000001232281 0.000001631980 0.000001309375 0.000002866786 -0.000008987312 -0.000002410222 0.000001780657 0.000001703100 -0.000004595061 0.000015748621 -0.000001924823 -0.000000792184 -0.000017840706 -0.000004374721 0.000005489669 0.000002834377 0.000009459478 -0.000008842740</array>
               <array cmlx:templateRef="hess" dataType="xsd:double" dictRef="cc:hessianmatrix" size="8778">0.570077170 -0.004280129 0.525962306 0.007656683 0.042538257 0.543877317 -0.282218515 -0.075018966 0.018288142 0.301349831 -0.074613945 -0.073272193 0.004551440 0.084065575 0.076580485 0.017827381 0.004690829 -0.050441563 -0.020749014 -0.009620429 -0.072115564 -0.025479559 -0.070727711 -0.006603737 -0.009440773 -0.025785706 -0.075971687 -0.080291620 -0.001324606 -0.003633883 -0.070421688 -0.079283439 -0.262197651 0.001338815 0.001847499 -0.135017258 0.115787432 0.037056435 -0.014497573 0.024028353 0.115154108 -0.206894839 -0.052103226 -0.006314525 0.009644414 0.037459372 -0.052464779 -0.065626040 0.000176398 -0.000609639 -0.084780627 -0.007688034 0.007989252 -0.001340214 -0.025113318 -0.007912085 -0.155165927 0.063577348 -0.001063802 -0.007607000 0.008330246 0.064180987 -0.143286613 0.000376636 0.001542675 0.001104792 0.000867869 -0.000388340 0.001656002 0.000424722 -0.022612330 -0.008079123 0.001393110 -0.000527526 -0.003131711 0.022854040 0.007460261 -0.002194651 0.000145260 0.004035482 0.002848457 -0.005446671 -0.001612225 0.000747335 0.000010558 0.010841127 -0.015450660 -0.004978759 -0.000162880 0.000538639 -0.014922750 0.019927288 0.006059673 0.000237458 -0.000870343 -0.000019715 0.002678901 0.002429800 0.000152258 -0.000368116 0.007538287 0.006879313 0.025979514 0.000235190 0.000236179 -0.004409568 -0.000324650 -0.021983646 -0.000875824 -0.001332262 0.000485990 -0.000030549 0.000542926 0.000289668 0.000522760 0.000615559 0.000483628 0.000751720 0.000139802 0.000469611 -0.000999090 -0.000940866 0.001692420 0.000774976 0.000475900 0.000178140 -0.000397086 0.000602042 -0.000020499 0.000113447 -0.000300618 0.000175344 -0.000037918 -0.000001204 0.000061897 0.000506313 -0.001071069 0.001133306 -0.000059470 0.000000761 -0.002775493 -0.002128171 -0.003113526 -0.000121942 -0.000432901 -0.000330580 -0.001547417 -0.001620186 0.000350020 0.000351339 -0.000127355 0.000845407 0.000562679 -0.000350435 -0.000430222 -0.000045566 -0.000075906 -0.000043235 0.000043315 0.000040782 -0.000002335 0.000014804 0.000053771 0.000031405 0.000029718 0.000042547 0.000002157 0.000034540 -0.000017314 -0.000000542 0.000017882 0.000005890 0.000012717 0.000004981 0.000006992 -0.000007273 -0.000018827 -0.000006866 0.000006623 0.000006343 -0.000010342 0.000007231 -0.000005609 -0.000006674 -0.000007607 0.000016087 0.000027655 0.000036902 -0.000006829 -0.000003707 0.000046388 0.000044061 0.000050189 -0.000020083 -0.000013811 -0.000004835 -0.000032782 -0.000027821 0.000004200 0.000002712 0.000017726 0.000032761 0.000015169 -0.000012291 -0.000013092 0.000005233 0.000009613 0.000011193 -0.000001429 -0.000001540 0.000001063 0.000011463 -0.000002131 -0.000009382 -0.000006587 0.000006386 0.000014848 0.000005166 -0.000009587 -0.000007928 0.000003983 0.000008208 0.000003822 -0.000003451 -0.000003906 -0.000013075 -0.000031845 -0.000010853 0.000019440 0.000016990 -0.000004505 -0.000006709 -0.000000675 0.000009783 0.000007230 0.000001601 -0.000003603 -0.000003381 -0.000002286 -0.000001353 0.000004050 0.000000138 0.000004748 0.000004206 0.000004000 -0.000008432 -0.000016259 -0.000012870 -0.000002957 -0.000000687 -0.000001522 -0.000005350 -0.000004734 -0.000001518 -0.000001387 0.000004827 0.000011513 0.000012398 0.000000194 -0.000000907 0.000002987 0.000004782 0.000002402 -0.000001088 -0.000001279 0.000000506 -0.000004288 -0.000002731 0.000000919 0.000001686 -0.000009811 -0.000020681 -0.000001939 0.000020471 0.000014512 0.000005369 0.000009625 0.000000814 -0.000003693 -0.000004841 0.000001583 0.000004043 -0.000000187 -0.000004442 -0.000002814 0.000008274 0.000018733 0.000005464 -0.000012751 -0.000009255 -0.000007721 0.000006255 -0.000001321 -0.000001672 -0.000003604 0.000003387 0.000007844 0.000001845 -0.000005983 -0.000001469 0.000001751 0.000006017 -0.000001952 -0.000006785 -0.000003429 0.000001841 0.000000210 -0.000000173 -0.000002010 -0.000000836 0.000002584 -0.000013715 -0.000001556 0.000009201 0.000006723 0.000008921 -0.000015456 -0.000001457 0.000006377 0.000007228 0.000002384 -0.000028191 -0.000003901 0.000011344 0.000015249 -0.000010364 0.000018510 0.000003445 -0.000005476 -0.000009430 -0.000007369 0.000027867 0.000003114 -0.000018727 -0.000017820 0.000000821 -0.000007158 -0.000000556 0.000002694 0.000004069 -0.000001143 0.000001781 -0.000000088 0.000000320 -0.000001511 0.000003140 -0.000003678 0.000001684 0.000001273 0.000002002 -0.000000139 -0.000006690 -0.000001578 0.000003780 0.000003278 0.000003006 -0.000001908 0.000001395 0.000004248 0.000002061 -0.000000386 0.000001916 -0.000000757 -0.000003178 -0.000002267 -0.000000524 0.000014596 0.000005247 -0.000001353 -0.000004316 -0.000001729 -0.000006973 -0.000002558 0.000001215 0.000002786 0.000000589 -0.000000743 -0.000001703 -0.000003943 -0.000001216 0.000000347 0.000005351 0.000000883 -0.000001445 -0.000002544 0.000001565 0.000002768 0.000000007 -0.000003385 -0.000002056 -0.000003800 -0.000008483 0.000000712 0.000011768 0.000007792 0.000852547 0.000597531 0.000771453 0.000121832 0.000168849 -0.000103888 0.000152233 -0.000199855 -0.000106417 -0.000114335 0.001179587 -0.000269905 0.000352117 0.000311699 0.000536255 0.000319686 0.000268409 0.000333024 0.000009697 0.000045742 0.000105133 0.001058009 0.001113207 -0.000113806 -0.000131876 -0.000135965 0.000266678 0.000381002 0.000034916 0.000004253 0.000018510 0.000004566 0.000016744 0.000008443 0.000009916 -0.000043077 -0.000079284 -0.000135551 -0.000011095 -0.000016117 0.000010901 -0.000077854 -0.000104752 0.000013355 0.000016317 0.000872103 0.000240200 -0.000002606 0.000352303 0.000381942 0.001009799 0.002632645 0.000472950 -0.000022198 0.000067486 -0.004640147 -0.005192193 -0.008024485 0.000319765 -0.000153652 0.000005519 0.000003010 0.000005946 -0.000005350 0.000003229 0.000043315 -0.000001483 0.000007784 0.000036192 0.000019028 0.000003140 0.000003920 0.000009730 0.000011547 0.000005722 -0.000004492 0.000003966 -0.000020273 -0.000002305 -0.000008367 -0.000017078 -0.000003363 -0.000033412 -0.000006411 -0.000009605 -0.000007632 0.000008515 -0.000027333 -0.000014624 -0.000018276 0.000003464 0.000008485 -0.000009938 -0.000010079 -0.000010161 -0.000011315 0.000016311 0.000007960 -0.000019071 -0.000013732 -0.000000299 -0.000010350 -0.000012735 0.000009027 0.000006017 0.000032159 -0.000026030 0.000006936 0.000029565 0.000030791 -0.000006676 0.000004883 0.000008575 -0.000015325 -0.000007809 0.000013958 0.000006402 0.000032888 -0.000003204 0.000005604 0.000027323 0.000003829 0.000042969 0.000022111 0.000035755 -0.000010096 -0.000010368 0.000028172 0.000021689 0.000027225 0.000045775 0.000024879 0.000023939 -0.000006737 0.000010534 -0.000022062 0.000028906 0.000027991 -0.000021632 -0.000022306 0.000034828 -0.000013841 0.000038299 0.000026976 0.000035815 0.000016361 -0.000004221 0.000078111 0.000023493 0.000028654 -0.000008096 0.000011131 -0.000014986 -0.000006839 -0.000017257 -0.000029119 0.000022259 -0.000023156 -0.000038071 -0.000040793 -0.000033325 -0.000007526 -0.000013356 0.000002926 -0.000006282 -0.000120907 -0.000060944 -0.000057928 -0.000007393 -0.000036570 0.000179859 0.000110708 0.000120036 0.000053211 0.000079584 0.000118694 0.000059685 0.000078114 0.000014418 0.000028839 0.000167241 -0.000023765 0.000088279 0.000041892 0.000084631 -0.000063320 -0.000068380 -0.000008784 -0.000013614 -0.000022206 -0.000099487 -0.000008061 -0.000055370 -0.000033327 -0.000046967 0.000025463 -0.000004916 -0.000021465 -0.000005632 -0.000000856 -0.000122180 -0.000001279 -0.000076556 -0.000036654 -0.000066649 -0.000015333 -0.000016990 -0.000005267 0.000007687 0.000003887 -0.000632436 0.000720868 0.000948946 0.000014497 -0.000090732 0.000040298 -0.000196604 -0.000045738 0.000088387 0.000135086 0.000207559 -0.001226172 -0.001639165 -0.000102269 -0.000036104 0.000582618 -0.000588939 -0.000846390 0.000029836 0.000175736 0.000589385 -0.000836346 -0.001195046 -0.000177815 -0.000149177 -0.000375429 0.000753858 0.001022931 0.000078539 -0.000008042 0.000109043 -0.000032406 -0.000007172 0.000003467 0.000018529 0.000044973 0.000038187 0.000057868 -0.000048935 -0.000039740 -0.000067489 0.000157743 0.000299963 0.000040670 0.000026772 0.050227409 -0.027631175 0.070821145 -0.007530796 0.028310111 0.079026363 0.004296432 0.076457263 0.082574893 0.282010519 0.007815628 0.006484285 -0.009210892 -0.002065467 0.138642087 0.003450367 0.005258109 -0.007075893 -0.001135955 -0.126686006 -0.001296497 0.017848597 -0.020988953 -0.005391022 -0.040949830 0.022617646 0.000118078 0.008477421 -0.006535021 0.002584418 0.005990746 0.001338388 0.009854198 -0.008850589 -0.003170205 -0.001479142 0.003898676 0.024737027 -0.019015694 -0.001624322 -0.000187763 0.000353811 -0.000127613 0.000563500 0.000632202 0.003539132 0.000454364 0.000919534 -0.000299789 -0.000242600 -0.002933317 0.000299058 -0.000771819 0.000539479 -0.000646094 -0.000624643 -0.000068829 0.000370581 -0.000331441 0.001134427 -0.000572080 -0.000043044 0.000859152 0.000004472 -0.000730000 0.000840551 -0.000424140 -0.000699764 0.000871773 0.000572912 0.002419864 0.000041767 -0.001210348 0.001364779 0.000069752 0.000877888 -0.000582517 -0.004021658 0.004688214 0.000331306 0.001058248 0.000245843 0.000803163 0.000613577 0.000401701 -0.000900924 0.000385777 0.000241868 -0.000065976 -0.000134726 -0.000208909 0.000281344 -0.000080660 0.000018521 0.000063238 -0.000423189 0.000312564 -0.000107520 0.000277795 0.000059956 -0.000076753 0.000038814 -0.000173159 0.000100662 0.000068481 -0.000046692 -0.000157779 0.000256293 -0.000144607 0.000072704 -0.000032160 -0.000347306 0.000245858 0.000246803 -0.000375429 0.000762251 -0.000042676 0.000909419 -0.001565503 0.000042137 -0.000133242 -0.000049311 0.000585036 -0.001245049 0.000032735 0.000085423 -0.000000701 -0.000328375 0.000812260 0.000030242 -0.000010045 -0.000008411 0.000026554 -0.000094741 -0.000014003 -0.000022776 0.000000046 0.000001152 -0.000021129 -0.000010455 0.000002333 0.000001294 -0.000006266 0.000016934 0.000014037 -0.000005796 -0.000001413 -0.000004018 0.000011351 0.000001071 -0.000000792 -0.000001863 0.000006860 -0.000025383 -0.000000552 0.000003758 0.000002443 0.000000582 0.000000895 0.000002156 -0.000002788 0.000002607 -0.000008944 0.000022477 0.000003067 -0.000001735 0.000006183 -0.000021851 0.000068162 0.000003703 0.000001980 -0.000002486 0.000008354 -0.000021277 -0.000002285 0.000001651 0.000002167 -0.000011523 0.000031036 0.000001968 -0.000000330 0.000000280 -0.000006037 0.000011528 0.000001898 0.000002693 0.000002356 -0.000000708 0.000006100 0.000004687 0.000001371 0.000002634 -0.000002976 0.000019340 0.000003123 -0.000000334 0.000001285 -0.000001327 0.000011919 0.000000500 -0.000005248 -0.000003660 0.000008313 -0.000034742 -0.000007639 -0.000002169 -0.000002345 0.000001313 -0.000008924 -0.000001100 0.000000802 0.000000146 0.000001108 -0.000001177 -0.000002134 -0.000002293 -0.000000920 -0.000001296 0.000002643 -0.000001153 0.000005201 -0.000001027 0.000003932 -0.000011218 -0.000001390 0.000002858 -0.000000994 0.000001719 -0.000005641 0.000002015 -0.000003716 0.000001771 -0.000003154 0.000014326 -0.000002168 -0.000000043 0.000000080 -0.000001201 0.000003056 0.000001527 -0.000000711 -0.000000204 0.000000823 -0.000000943 -0.000001941 -0.000005241 -0.000003696 0.000003657 -0.000022921 -0.000006333 -0.000000745 0.000001297 -0.000000556 0.000014056 -0.000000220 0.000001983 0.000000655 -0.000001393 0.000004783 0.000003974 0.000004236 0.000001543 -0.000004919 0.000015884 0.000004928 0.000002312 0.000000426 -0.000001980 0.000000254 0.000000883 0.000001356 0.000000839 -0.000003172 0.000003101 0.000005924 0.000003250 0.000000330 -0.000001692 0.000003295 0.000003957 0.000001208 -0.000000208 -0.000000443 0.000002024 0.000001105 -0.000004943 -0.000000989 0.000003761 -0.000004053 -0.000008674 -0.000005344 -0.000001065 0.000004556 -0.000002470 -0.000009064 -0.000004890 -0.000002036 0.000005697 -0.000025771 -0.000003507 0.000004914 0.000001780 -0.000004383 0.000005768 0.000007655 0.000008279 0.000003740 -0.000005921 0.000024783 0.000008707 -0.000001251 -0.000000346 0.000000827 -0.000007287 0.000000259 0.000000027 -0.000000085 0.000001056 -0.000000239 -0.000000807 -0.000001899 0.000000197 0.000001223 -0.000001807 -0.000000670 -0.000001933 -0.000000412 0.000001622 -0.000004246 -0.000003490 -0.000002284 -0.000000738 0.000000652 0.000004232 -0.000003743 0.000001029 0.000000911 -0.000000276 0.000002299 0.000000894 0.000000153 0.000000610 -0.000002337 0.000010598 0.000003072 -0.000000222 -0.000000099 0.000000695 -0.000008566 -0.000000631 0.000000945 0.000000876 0.000000175 0.000000483 0.000000952 0.000000619 0.000000111 -0.000000906 0.000005930 -0.000000255 0.000000719 0.000000609 -0.000000484 0.000004980 0.000000546 -0.000002339 -0.000002903 0.000000800 -0.000012975 -0.000002130 -0.000295187 -0.000025346 -0.000227232 0.000476289 -0.000017415 0.000111626 0.000024705 0.000007521 0.000225900 -0.000052845 -0.000385483 -0.000064197 0.000004671 -0.000187687 -0.000141860 -0.000101114 0.000018351 -0.000095802 0.000210490 -0.000006669 -0.000055598 0.000071284 -0.000374113 0.000729317 -0.000040948 -0.000014851 0.000012331 -0.000102917 0.000112447 -0.000035648 -0.000005927 -0.000004901 -0.000003002 0.000002900 0.000000331 0.000025338 -0.000003923 0.000031555 -0.000051406 0.000007207 0.000000387 -0.000006907 0.000030166 -0.000049749 0.000005008 -0.000786794 0.000636277 -0.000147406 0.000509167 0.000007865 -0.000563644 0.000006580 -0.000538509 0.000936981 -0.000250691 0.000469567 0.000112875 0.002369432 -0.002745056 -0.000131332 -0.000006963 0.000010235 0.000005837 -0.000026463 0.000002369 -0.000000621 -0.000031978 0.000001125 0.000041073 -0.000011594 0.000003247 -0.000007229 -0.000027232 0.000051885 -0.000004048 0.000008471 0.000001283 -0.000009386 0.000035547 0.000000756 0.000013217 0.000001839 -0.000002211 0.000020856 0.000004235 0.000012205 0.000003663 -0.000001986 0.000034792 0.000005147 0.000004307 -0.000003500 0.000015021 -0.000011135 0.000004872 -0.000003685 0.000015330 0.000008744 -0.000030162 0.000006549 0.000002382 -0.000003279 -0.000004442 0.000010295 -0.000002951 -0.000004119 -0.000021587 -0.000014847 0.000032767 -0.000009433 -0.000004294 0.000015052 0.000003581 -0.000024589 0.000002510 -0.000016975 0.000008340 0.000006717 -0.000040844 -0.000000552 -0.000018702 0.000013264 -0.000071548 0.000077300 -0.000010153 -0.000006979 0.000000931 -0.000014552 0.000004650 -0.000007456 -0.000023470 -0.000001683 0.000055969 -0.000103109 -0.000000548 -0.000004751 0.000014672 0.000033758 -0.000059332 0.000005920 -0.000008455 -0.000012599 -0.000008215 0.000013231 -0.000000503 -0.000016923 -0.000007454 -0.000023774 0.000003178 -0.000006670 0.000007978 -0.000003122 0.000015537 -0.000002468 0.000000919 0.000011981 0.000018010 0.000014040 -0.000006462 0.000008355 0.000013352 -0.000003398 -0.000014379 0.000031780 0.000000930 0.000043892 -0.000013505 0.000025402 0.000000640 0.000016878 -0.000073056 -0.000012895 -0.000025351 0.000028781 -0.000027207 -0.000032724 -0.000008307 -0.000032490 0.000067640 -0.000013826 -0.000058363 -0.000012904 -0.000005007 -0.000029498 -0.000016203 0.000015731 0.000002502 0.000020840 -0.000047023 0.000007206 0.000024892 0.000022769 0.000018976 -0.000043723 0.000019062 0.000002913 -0.000002420 0.000002376 0.000009476 0.000004996 0.000045783 0.000010857 0.000005959 0.000013711 0.000015488 0.000003500 0.000001737 -0.000013685 0.000017467 -0.000003628 -0.000043386 0.000091605 -0.000154193 0.000023577 -0.000084019 -0.000046826 -0.000030741 0.000069931 -0.000233235 -0.000008591 0.000182851 -0.000086962 0.000432369 -0.000619264 0.000146091 0.000013886 -0.000096771 0.000157882 -0.000105177 0.000101558 0.000112013 0.000020289 0.000123231 0.000080677 0.000065003 -0.000094929 0.000093154 -0.000289576 0.000367670 -0.000096806 -0.000011490 -0.000008240 -0.000009527 0.000048064 -0.000002916 0.000012120 0.000008574 -0.000019548 0.000076187 0.000009941 -0.000031644 0.000002848 -0.000053345 0.000036556 -0.000022976 0.224431183 0.052864312 0.066337183 0.014729285 -0.014984696 0.608329615 -0.019581332 0.018597535 -0.016413803 0.575275526 -0.006616424 0.007303980 -0.020120479 0.012952586 0.487911879 -0.000348232 0.000145574 -0.293552151 -0.078527850 0.011401053 0.000546992 -0.000849245 -0.075653725 -0.075163701 0.003442463 -0.000580930 0.000862026 0.014077093 0.005062526 -0.047549837 -0.001348602 0.000655013 -0.137947815 0.120647857 0.038011684 -0.001848686 0.003007812 0.120868076 -0.217874399 -0.055525171 0.004256206 -0.003230692 0.036780346 -0.052423401 -0.065133583 -0.000115030 -0.001094724 -0.095854826 -0.014297846 -0.027905046 0.000331652 0.001434700 -0.014046766 -0.101463054 -0.046883334 -0.001540989 0.001309685 -0.029644385 -0.052593961 -0.172197722 0.000006232 -0.000003873 -0.008496876 -0.003149511 0.000698849 0.000044268 -0.000164695 -0.012510213 -0.004128326 -0.000843569 0.000102733 -0.000020434 -0.029154280 -0.010838971 -0.000230602 0.000034729 0.000581737 0.007069126 -0.007594793 -0.005321445 0.000422349 -0.000334034 0.007693851 -0.006739202 -0.005373248 0.000975763 -0.000231539 0.019656782 -0.021419571 -0.011405060 0.000660617 0.000113327 0.002757539 0.007253377 -0.002031877 -0.000220718 0.000399860 -0.000112427 0.003667405 -0.000968458 -0.000163200 -0.000129731 0.002060001 -0.000148278 -0.000648205 0.000061554 0.000007126 0.000064517 0.000179760 -0.000177789 0.000030476 -0.000006428 0.000035293 -0.000048803 -0.000158567 -0.000031186 0.000009153 -0.000084030 -0.000169124 0.000154211 -0.000011218 0.000001283 -0.000031034 -0.000028915 0.000031161 0.000002967 0.000005620 0.000003579 0.000015519 -0.000017671 -0.000000800 -0.000001703 0.000030661 0.000008902 -0.000010186 -0.000009818 -0.000002837 -0.000012912 -0.000101905 0.000033485 -0.000020767 -0.000007799 -0.000043717 -0.000137612 0.000118642 0.000002805 0.000005603 0.000007845 0.000059281 0.000001701 -0.000016196 -0.000003318 -0.000016629 -0.000035035 0.000034673 -0.000004570 -0.000000523 0.000002351 -0.000024025 0.000014871 -0.000007602 -0.000000075 0.000010833 -0.000012642 0.000005503 -0.000010918 -0.000002688 -0.000006977 -0.000023880 0.000019505 -0.000006277 -0.000002395 -0.000008661 -0.000010063 0.000011450 0.000024613 0.000002950 0.000012328 0.000057423 -0.000044313 0.000002580 0.000001187 -0.000002221 0.000012878 -0.000010234 0.000005256 -0.000000797 -0.000004352 0.000010995 -0.000003861 0.000000583 -0.000000549 -0.000010885 -0.000003438 0.000005678 0.000012837 0.000000666 0.000012792 0.000025673 -0.000010316 -0.000004730 0.000002921 0.000000041 -0.000005539 0.000005579 0.000000546 -0.000004459 -0.000004734 -0.000007576 0.000008468 -0.000006845 0.000000797 -0.000007564 -0.000013244 0.000009111 0.000006007 -0.000001275 -0.000003568 0.000017425 -0.000007327 0.000014892 0.000003294 0.000009828 0.000029860 -0.000028386 -0.000008728 -0.000003555 -0.000019043 0.000005356 0.000006151 -0.000008289 0.000001678 0.000001090 -0.000022499 0.000014619 -0.000011502 -0.000001510 -0.000009215 -0.000039545 0.000030161 0.000000808 0.000000122 0.000020815 0.000001273 -0.000000135 -0.000007548 0.000001474 0.000005728 -0.000022451 0.000005617 -0.000004043 -0.000000163 -0.000007126 -0.000013445 0.000006996 -0.000001926 0.000000481 -0.000001322 -0.000010255 0.000007442 0.000014118 -0.000002603 -0.000011251 0.000036390 -0.000020703 0.000015053 -0.000003896 -0.000022466 0.000042992 -0.000024791 0.000016928 0.000004955 0.000008841 0.000017964 -0.000031516 -0.000016825 0.000003657 0.000021679 -0.000042092 0.000022532 -0.000016268 -0.000004071 0.000014085 -0.000035150 0.000037311 0.000001913 0.000003007 0.000002198 -0.000003588 -0.000002021 -0.000001809 -0.000001148 -0.000002187 0.000005666 -0.000004018 -0.000000194 0.000000898 -0.000005334 -0.000001515 -0.000002089 0.000007848 -0.000000836 -0.000002117 0.000019418 -0.000011878 0.000002302 -0.000002170 -0.000010457 0.000009313 -0.000002594 -0.000000386 -0.000000292 0.000004343 -0.000002025 0.000001845 -0.000013623 -0.000001466 -0.000004196 -0.000017253 0.000011891 0.000006945 0.000001853 0.000006086 0.000008262 -0.000007731 0.000002403 -0.000000423 0.000003372 0.000002982 -0.000000949 -0.000002185 -0.000001907 -0.000002704 -0.000000059 0.000003238 -0.000000435 -0.000001545 -0.000001935 0.000000234 0.000002992 0.000002526 0.000003415 -0.000000055 0.000002434 -0.000007443 -0.000417009 0.000023281 -0.000710437 -0.002066813 0.000205688 0.000337288 -0.000219151 -0.000350305 0.000996407 -0.000896741 -0.000041978 0.000043516 -0.001887646 0.000122105 -0.001792858 -0.000087773 -0.000019001 -0.000319385 -0.000704554 0.000197159 0.000238064 -0.000277631 0.000349091 -0.001984968 0.000552556 0.000198348 -0.000082461 0.000248193 -0.000760732 0.000053213 -0.000009418 0.000004299 -0.000016694 -0.000060294 0.000027989 -0.000017174 0.000015619 -0.000019275 0.000289329 -0.000095590 -0.000034296 0.000024894 -0.000105161 0.000170747 -0.000080658 -0.000574572 0.000057533 0.002287969 0.005650973 -0.006328088 0.000294795 -0.000776200 0.001947696 0.001211250 0.007844983 0.000357941 0.000075099 -0.001382702 0.039483116 -0.032576037 0.000014773 0.000001886 0.000014846 0.000046037 -0.000037963 -0.000042784 -0.000008595 -0.000166283 -0.000043929 0.000066192 0.000006016 -0.000004024 -0.000022383 -0.000041365 0.000091771 -0.000011464 0.000003885 -0.000005676 -0.000022457 0.000035761 0.000000482 0.000003011 0.000055631 0.000025810 0.000000995 -0.000018942 0.000001129 0.000020835 -0.000009218 0.000026975 -0.000023980 -0.000001825 -0.000006557 0.000008756 -0.000026466 0.000000172 0.000001054 0.000057454 0.000006417 -0.000044588 0.000005469 0.000003176 -0.000010482 0.000006897 0.000004854 0.000004401 -0.000000232 -0.000162533 -0.000017293 0.000099185 0.000015889 0.000002303 0.000037516 0.000009647 -0.000021442 0.000003570 0.000000684 -0.000040332 -0.000005903 -0.000024303 0.000061293 0.000004639 -0.000057457 -0.000053271 0.000157073 0.000046533 -0.000001298 0.000020183 0.000059759 0.000071308 -0.000006641 -0.000009174 -0.000116175 0.000086727 -0.000214258 0.000001741 -0.000007082 0.000176897 -0.000004027 -0.000104491 0.000021309 -0.000003532 -0.000098020 -0.000017370 0.000077155 0.000043713 -0.000012232 0.000017729 -0.000023761 0.000050305 -0.000025659 -0.000002050 0.000015086 0.000007396 -0.000036383 -0.000018220 0.000003137 0.000106339 -0.000007800 -0.000047651 0.000001549 0.000000023 0.000045400 -0.000027470 0.000057733 -0.000069774 0.000005774 0.000030930 -0.000097820 0.000302431 0.000052469 -0.000037552 -0.000142356 0.000052356 -0.000171802 -0.000007566 -0.000020944 -0.000321327 -0.000158448 0.000050668 0.000056405 -0.000010875 -0.000426383 -0.000083741 0.000022202 -0.000012483 0.000007294 -0.000256372 -0.000491788 0.000258894 -0.000021352 0.000018701 0.000324030 0.000102811 -0.000118533 -0.000026738 0.000007256 -0.000064299 0.000045820 0.000035889 -0.000039403 0.000010559 0.000253390 -0.000029233 0.000008544 0.000015733 0.000004241 -0.000009647 -0.000011493 0.000047767 0.000633719 -0.000275354 0.002323150 -0.000382162 -0.001292414 0.000078578 0.000025561 -0.000092908 -0.000055659 -0.000162487 -0.000739070 0.000428622 -0.001078648 0.001703489 0.000578214 -0.000539197 0.000246502 -0.001693076 0.000729185 0.000911280 -0.000711676 0.000373086 -0.001933235 -0.000702361 0.001787032 0.000595198 -0.000298049 0.001262301 -0.000387284 -0.000340410 -0.000040445 0.000011449 -0.000275091 -0.000133648 0.000204405 -0.000040049 -0.000001062 0.000011389 -0.000182774 0.000153279 0.000142212 -0.000068292 0.000364307 -0.000075603 -0.000217557 0.311471513 0.087684451 0.080299700 -0.012615032 -0.006405458 0.055879540 -0.014652106 0.023902886 0.007190783 0.141710150 -0.006537324 0.009370764 0.002651146 -0.129452334 0.233119690 0.000281042 -0.000871322 -0.000513999 -0.039111676 0.057995574 -0.009124332 -0.011569941 -0.031877596 0.005920033 0.006511733 -0.003631553 -0.004647085 -0.011770018 -0.008815497 -0.008547094 0.001006346 -0.000220132 0.000657418 -0.004203270 -0.003666495 0.000865079 -0.000868889 -0.002108079 0.000768828 -0.000082209 -0.000423254 -0.000008678 -0.002346453 -0.000192787 0.000197209 -0.001747238 -0.002111708 -0.005704626 0.000545660 0.000239845 0.000810776 -0.000540315 0.000229714 0.000334412 -0.001040503 0.000189454 0.000026065 0.000282287 -0.000532896 -0.000036968 0.000014513 0.000390397 0.001097714 -0.001979081 -0.001039851 -0.001893634 -0.001279788 -0.003955884 -0.000263065 0.000118610 -0.000180434 0.001166854 0.002121244 0.001731387 0.001364426 -0.000342701 0.000244389 -0.001707359 -0.000549306 -0.000688304 0.000011268 -0.000002508 0.000116184 -0.000035281 -0.000062397 -0.000000538 0.000048967 0.000137638 0.000009771 -0.000040870 -0.000056863 0.000020689 0.000020234 0.000078990 0.000047068 0.000017736 0.000003151 0.000031976 0.000007039 0.000010644 0.000000330 0.000010284 0.000050180 0.000010472 0.000000619 -0.000013136 0.000016733 -0.000034447 -0.000000589 -0.000002892 -0.000003732 0.000007232 0.000006529 0.000005060 0.000004914 0.000003781 -0.000015733 -0.000053695 -0.000004523 0.000007060 -0.000002347 0.000004098 0.000011212 0.000010940 0.000004556 0.000012977 0.000000891 -0.000029454 0.000000844 0.000014973 0.000015599 -0.000005614 -0.000014972 -0.000015718 -0.000003246 -0.000014880 0.000006175 -0.000009008 0.000015139 0.000005968 -0.000005526 0.000002077 -0.000017245 0.000006460 0.000010393 -0.000000131 0.000001058 -0.000004874 0.000004402 0.000006103 0.000009018 -0.000005710 0.000041842 -0.000013277 -0.000023199 0.000007777 -0.000000446 0.000011358 -0.000005078 -0.000005736 -0.000003311 -0.000002794 -0.000003511 0.000000007 0.000000533 0.000009945 -0.000003559 0.000005828 -0.000005010 -0.000002523 -0.000011728 -0.000014432 -0.000021957 -0.000010430 -0.000006071 -0.000003072 0.000007488 -0.000006756 0.000009116 0.000009703 0.000006468 -0.000008692 -0.000001913 -0.000011028 -0.000010207 -0.000000400 0.000006406 0.000001656 0.000007809 0.000007273 0.000001713 -0.000007163 0.000002709 -0.000005371 -0.000003670 0.000017616 -0.000002454 0.000028605 -0.000015713 -0.000018688 -0.000002047 0.000004198 -0.000001691 0.000009918 0.000010610 -0.000004835 0.000002711 -0.000009357 0.000006245 0.000009172 -0.000009708 0.000000932 -0.000020111 0.000008845 0.000011565 -0.000012816 -0.000006299 -0.000008476 -0.000007548 -0.000008124 -0.000001116 0.000007490 0.000004751 0.000006976 0.000006615 -0.000003233 0.000000163 -0.000010432 0.000005588 0.000005821 -0.000002275 -0.000000302 -0.000005191 0.000001940 0.000003228 0.000014037 -0.000006503 0.000018016 -0.000009681 -0.000009313 0.000019033 -0.000005094 0.000027384 -0.000005945 -0.000005648 0.000027307 0.000004783 0.000033516 -0.000006568 -0.000008136 -0.000019920 -0.000001091 -0.000022375 0.000004797 0.000005080 -0.000037088 -0.000014615 -0.000070307 0.000002145 0.000008556 0.000006398 0.000004024 0.000011051 0.000001107 0.000000592 -0.000001164 0.000004805 0.000000055 0.000003282 0.000000902 0.000007080 0.000005071 0.000009601 0.000003141 0.000002693 0.000005160 -0.000005355 0.000009495 -0.000005897 -0.000005958 0.000005862 -0.000002305 0.000004160 -0.000002341 -0.000001508 -0.000003553 -0.000000204 -0.000007327 -0.000000243 0.000000462 -0.000003492 0.000007682 -0.000006592 0.000007976 0.000006901 0.000001856 -0.000003390 0.000005602 -0.000004685 -0.000004877 -0.000001774 -0.000003696 -0.000002871 -0.000001790 -0.000000557 -0.000003810 -0.000001672 -0.000007060 0.000000180 0.000000576 -0.000002548 -0.000003091 -0.000006048 -0.000000397 0.000001054 0.000008915 0.000004761 0.000016166 -0.000001905 -0.000004711 0.000043437 0.000764741 0.002865171 0.000566056 0.000283039 -0.000088453 -0.001066875 -0.000908907 -0.000686690 -0.000460710 0.002567041 0.001242605 0.000062218 0.000830562 0.000435709 0.000183025 0.000189278 0.000421896 0.000107455 0.000070717 0.000312728 -0.000649295 -0.000992427 -0.001174785 -0.001010586 0.000196724 -0.000298942 -0.000348083 -0.000554091 -0.000544895 0.000017556 0.000005978 0.000031266 0.000006612 0.000017850 -0.000055231 -0.000012341 -0.000082720 0.000069909 0.000088289 0.000027740 0.000026577 0.000087611 0.000070131 0.000103682 0.001472374 0.001071803 0.002764979 -0.000329484 -0.001087755 0.001130864 0.000377202 0.001224086 -0.000994192 0.000843218 -0.000922504 0.000134966 0.001720859 0.001701007 0.002097639 0.000029278 -0.000031099 0.000051842 -0.000029056 -0.000020252 -0.000034159 0.000024055 -0.000072659 0.000091253 0.000051470 0.000071249 -0.000007676 -0.000095170 -0.000050311 -0.000000991 -0.000009562 0.000020742 -0.000031507 0.000016142 0.000021821 0.000011775 0.000016155 -0.000009546 -0.000013420 -0.000000781 -0.000024078 0.000027614 -0.000028524 0.000027845 0.000027874 -0.000039775 0.000033810 0.000026430 0.000056359 0.000016719 -0.000006915 0.000017973 0.000055247 -0.000002011 -0.000014787 0.000012150 0.000001566 -0.000002638 -0.000004528 0.000002276 0.000094695 -0.000014264 -0.000077106 0.000013712 0.000028349 0.000061582 0.000016090 0.000041255 -0.000018133 -0.000021112 -0.000014099 -0.000027398 0.000049213 0.000017984 -0.000000548 0.000156967 -0.000156861 -0.000103219 -0.000147632 0.000004836 0.000150883 -0.000052748 -0.000128673 -0.000089516 -0.000006998 0.000001305 0.000024734 0.000189971 0.000156198 0.000001601 -0.000054822 0.000060913 0.000084983 -0.000127371 -0.000139316 0.000121125 -0.000049860 -0.000067355 -0.000165723 -0.000035051 0.000114694 -0.000109692 -0.000095785 -0.000321001 -0.000187274 -0.000045270 0.000075638 0.000015116 0.000067809 0.000014043 -0.000078039 0.000090184 0.000019636 0.000056776 0.000006455 0.000006733 0.000028756 -0.000098120 -0.000026999 -0.000001876 -0.000188328 0.000061742 -0.000125286 0.000126403 0.000159550 -0.000102268 -0.000571348 0.000250386 -0.000129358 -0.000054767 0.000128114 -0.000108626 0.000043046 0.000082754 -0.000045955 0.000127733 -0.000531383 0.000425381 -0.000058061 0.000012518 -0.000420225 -0.000144906 0.000548361 0.000221063 0.000069376 0.000103107 0.000601418 -0.000082944 0.000043666 -0.000017185 -0.000019692 -0.000027277 -0.000012173 0.000045392 0.000077815 -0.000151565 0.000199021 -0.000076782 0.000076638 0.000023457 0.000031995 -0.000022767 -0.000041818 -0.000038060 -0.000003131 0.000086215 -0.000037601 -0.000431545 -0.001882613 -0.002139747 0.000401714 0.000012289 0.000184320 -0.000221497 0.000212082 -0.000961803 0.000842321 0.001025770 0.002197512 0.002050033 0.000411604 -0.000160853 0.000385627 0.000884461 0.002165507 -0.000588892 0.000443842 0.000301793 0.002016566 -0.001553048 0.000454502 -0.000494500 -0.000699996 -0.001655949 -0.000931983 0.000019819 -0.000081324 -0.000009218 0.000174460 0.000249371 -0.000061701 0.000015831 -0.000125807 0.000076285 0.000188060 0.000140682 -0.000127390 -0.000122451 -0.000537507 -0.000431433 0.073953554 0.019086035 0.630577064 -0.026269085 0.005089001 0.553990907 -0.010804052 -0.036123346 0.013614879 0.492077827 -0.000276221 -0.269651824 -0.090136181 0.007886337 0.283570092 0.000517920 -0.082765900 -0.084960642 -0.002521556 0.101374320 0.001068026 0.002346694 -0.003816780 -0.048600629 -0.006545933 -0.002492625 -0.161185554 0.113002925 0.060891934 -0.015386800 -0.001864849 0.104060569 -0.156121335 -0.060738968 -0.008235282 -0.005586852 0.061833244 -0.064736427 -0.085975844 -0.000847154 0.001484776 0.011900612 -0.035826082 0.021358970 0.000117649 -0.001054323 -0.034822456 -0.032956124 0.024774461 0.002492520 0.000114525 0.024454730 0.025158613 -0.022982110 -0.002023790 0.000096561 0.000526222 -0.000943288 0.000716208 0.000155007 0.000108363 -0.001312050 -0.000939009 0.000925335 0.000069402 -0.000075123 0.000242681 0.000028901 0.001767309 -0.000004667 -0.000030912 0.000038283 0.000172678 -0.000050398 0.000026810 -0.000005940 0.000111491 -0.000188691 0.000256919 0.000034158 0.000011529 -0.000098741 0.000032123 -0.000074470 -0.000018870 -0.000010857 -0.000246598 0.000200143 0.000153820 -0.000020079 -0.000049741 -0.000137167 0.000633941 -0.000275371 -0.000079330 -0.000010960 0.000201365 -0.000099210 -0.000043689 0.000031904 -0.000025408 -0.000047785 0.000399810 -0.000572626 -0.000048662 -0.000020865 -0.000069991 0.000185689 -0.000353325 -0.000027614 -0.000004146 -0.000073181 0.000050271 0.000077951 -0.000021435 -0.000012367 0.000018838 0.000168897 -0.000116274 -0.000021394 -0.000004094 0.000026103 0.000082915 -0.000065606 -0.000005518 0.000035965 0.000034468 -0.000393112 0.000366399 0.000062016 0.000003936 -0.000020690 -0.000080375 0.000072308 0.000022162 0.000006322 0.000032392 -0.000051730 0.000002250 -0.000005409 -0.000000957 0.000013282 0.000024623 -0.000007261 0.000011196 0.000009640 0.000046732 -0.000127241 0.000113818 -0.000017422 -0.000014640 -0.000028116 0.000028581 0.000053546 -0.000007599 0.000011647 0.000004908 0.000056595 -0.000127249 0.000002317 -0.000009651 -0.000011384 0.000061243 -0.000032766 -0.000001847 0.000008793 0.000035620 -0.000075563 -0.000000852 0.000003343 0.000015999 -0.000043670 -0.000216372 0.000173777 0.000050999 -0.000001816 0.000025106 0.000022811 -0.000101330 -0.000007532 -0.000018637 -0.000002957 0.000121658 -0.000023046 -0.000011253 -0.000013639 0.000042649 0.000218780 -0.000130188 -0.000039937 0.000008539 0.000044609 0.000046056 -0.000037274 -0.000010047 -0.000013604 -0.000025935 0.000112196 -0.000053222 -0.000013183 -0.000004539 -0.000009690 0.000032318 -0.000038757 -0.000028263 -0.000006913 -0.000003723 0.000045398 -0.000011513 -0.000008407 0.000021259 0.000030058 -0.000201634 0.000070206 0.000028086 0.000023050 0.000045529 -0.000240193 0.000077501 0.000023398 -0.000001156 -0.000104756 -0.000182006 0.000221977 0.000048538 -0.000022592 -0.000055869 0.000242059 -0.000108869 -0.000015523 -0.000010854 0.000083635 0.000296870 -0.000246001 -0.000064917 -0.000006906 -0.000037946 -0.000017153 0.000053671 0.000013746 0.000004280 0.000005174 -0.000029982 0.000009925 -0.000000830 -0.000004366 -0.000027086 -0.000011803 0.000031094 0.000011170 0.000011591 0.000020576 -0.000101755 0.000041146 0.000012570 0.000006285 0.000013506 -0.000044177 -0.000009772 0.000008864 -0.000000458 0.000007172 0.000023010 -0.000018452 -0.000007560 -0.000008880 -0.000017030 0.000117075 -0.000084910 -0.000006516 0.000004275 0.000001942 -0.000057842 0.000052447 0.000006614 0.000001441 0.000013899 -0.000002424 -0.000004684 -0.000006856 0.000002796 0.000021362 0.000022593 -0.000044876 -0.000008391 0.000001217 0.000019338 0.000018505 -0.000034102 -0.000008745 -0.000000412 -0.000042435 -0.000065047 0.000088058 0.000025737 -0.000792941 -0.003638994 0.013678716 -0.011117229 0.000490089 0.001034463 0.000413949 -0.007674373 0.000193161 -0.002053295 -0.000367053 -0.001733937 -0.000797325 -0.001374380 0.001295800 -0.000188502 -0.004980751 0.000333119 -0.001097989 -0.000074152 0.000910367 0.000532796 0.008996700 -0.006661378 -0.000889934 0.000528808 0.001591162 0.003272254 0.000727691 -0.000075694 -0.000025411 0.000296914 0.000343571 0.000002031 0.000031272 -0.000038572 -0.000193478 -0.000370816 -0.000176590 -0.000023738 -0.000119077 0.000003807 -0.000670989 -0.000401467 0.000061461 0.000063827 -0.104473710 0.012687987 -0.004461860 0.006467765 0.000562416 0.026889839 -0.168702915 0.086998158 0.000790152 0.003324521 -0.016842259 0.081561084 -0.136001538 0.002073936 0.000018438 -0.000008642 -0.000122207 0.000107364 0.000010511 -0.000012828 0.000034444 0.000184873 -0.000164844 0.000012710 -0.000041675 0.000022695 0.000275544 -0.000237869 -0.000012917 -0.000026049 0.000012595 0.000164883 -0.000115947 -0.000019135 -0.000005857 0.000000235 0.000012491 -0.000007777 -0.000013717 -0.000023820 0.000019667 0.000177011 -0.000111197 -0.000035120 0.000009762 0.000008623 -0.000006071 0.000059622 -0.000012023 0.000008319 -0.000019439 -0.000043669 0.000093359 -0.000009521 -0.000002310 -0.000003300 -0.000031606 -0.000001585 0.000009968 -0.000017174 0.000051090 0.000080144 -0.000156173 0.000021568 0.000009530 0.000006223 -0.000076349 0.000069181 -0.000004493 0.000008974 -0.000003796 -0.000058681 0.000061834 0.000013437 -0.000067558 0.000020305 0.000472367 -0.000448516 0.000001473 -0.000010693 -0.000005236 -0.000009066 -0.000092447 0.000029355 0.000156948 0.000000780 -0.000473434 0.000397400 0.000032765 -0.000007580 -0.000043104 -0.000172092 0.000183781 -0.000004910 -0.000025705 0.000023853 0.000071966 -0.000141638 0.000025262 -0.000023408 0.000000345 0.000066030 -0.000195510 0.000022899 0.000012102 0.000002882 -0.000015939 0.000053234 -0.000012690 0.000003309 0.000015101 0.000048354 0.000050931 -0.000046455 -0.000015694 0.000018969 0.000104802 -0.000094518 -0.000012273 -0.000110467 -0.000053268 0.000054423 0.000123364 0.000010565 0.000052667 0.000060452 0.000207466 -0.000464847 0.000010040 0.000033595 0.000013685 0.000732587 -0.000708335 -0.000041040 0.000009601 -0.000045061 -0.000162329 -0.000164192 0.000063639 -0.000056162 -0.000038816 0.000001287 0.000072762 0.000037958 0.000007046 -0.000120198 -0.000210105 0.000508244 0.000009761 -0.000068773 0.000036001 0.000099637 -0.000014016 -0.000008943 -0.000026426 0.000036262 0.000049410 0.000209107 -0.000046254 -0.000024077 0.000006362 0.000001254 -0.000046085 0.000008790 0.001980816 -0.000223883 0.000437042 -0.001895724 -0.000202292 0.000115146 -0.000238175 -0.001995878 0.001641710 0.000277915 -0.002306258 -0.000054687 -0.005487975 0.006995787 0.000533441 -0.001856136 -0.000055479 -0.001187391 0.002348448 0.000323014 -0.001153849 0.000568351 -0.000163298 0.002286162 -0.000071981 0.000810688 -0.000146596 0.003001022 -0.003705882 -0.000250400 -0.000167308 0.000017430 0.000351140 -0.000261916 -0.000027141 -0.000020709 0.000079532 0.000905841 -0.000604965 -0.000134549 0.000439693 -0.000101921 0.000525035 -0.000876679 -0.000017204 0.100493639 -0.010109850 0.060574467 0.017773658 0.010202769 0.168703279 0.011456022 0.004458237 -0.124160993 0.178754133 0.000184430 0.000871338 -0.060905118 0.061378057 0.094264178 0.007240649 -0.002454400 -0.002685991 0.011535728 -0.002930229 -0.002754702 0.002398274 -0.002513851 0.000976798 -0.001022614 -0.000597656 0.000263210 0.001574411 -0.002109127 0.001994949 0.000303083 -0.000247806 -0.000172393 0.000082511 -0.000033036 -0.000246568 0.000158370 -0.000091111 0.000092940 -0.000108665 0.000109300 -0.000114891 -0.000018579 0.000078080 -0.000115329 -0.000017759 -0.000001338 0.000002056 -0.000100750 0.000032647 0.000044185 -0.000047318 -0.000076247 -0.000044141 0.000010563 -0.000021307 0.000014642 0.000039018 0.000045040 -0.000025509 -0.000080020 0.000057003 0.000039592 -0.000037020 -0.000007801 -0.000097099 0.000108163 0.000064185 -0.000036124 0.000029845 0.000072799 -0.000069144 -0.000019376 0.000014269 -0.000005392 -0.000097050 0.000077566 0.000030200 -0.000087738 0.000063307 -0.000044003 0.000051444 0.000042711 -0.000053875 0.000037622 -0.000027354 0.000022149 0.000022229 -0.000008264 -0.000006371 -0.000016957 0.000015379 0.000019190 -0.000011280 0.000006813 -0.000000636 -0.000000991 0.000000084 -0.000001354 -0.000003216 0.000074744 -0.000066499 -0.000062158 0.000063970 -0.000036661 0.000017934 -0.000014740 -0.000014016 0.000004651 -0.000003808 -0.000000837 0.000002137 -0.000011144 0.000017243 -0.000005160 0.000004084 -0.000002334 -0.000006331 -0.000012623 0.000005537 0.000011161 0.000009467 0.000012342 0.000041436 0.000000944 -0.000011806 0.000008620 0.000015921 -0.000014198 0.000005907 0.000003187 0.000000087 -0.000007126 0.000001801 -0.000001243 -0.000008295 0.000002253 0.000002140 -0.000016069 -0.000000240 0.000012591 -0.000006072 -0.000012313 0.000021177 -0.000008001 0.000033597 -0.000033071 -0.000032923 0.000012139 -0.000004477 -0.000008102 0.000005900 -0.000012955 0.000007399 -0.000013005 -0.000006496 0.000006951 0.000025442 -0.000022969 0.000009647 -0.000026655 0.000027901 0.000028374 -0.000017950 0.000005452 0.000005472 -0.000000680 0.000004539 0.000011028 -0.000002056 -0.000009139 0.000006824 0.000029432 -0.000019254 0.000001394 -0.000005003 0.000017159 0.000026593 0.000006956 0.000002021 -0.000005599 0.000007452 0.000012551 -0.000009494 0.000005192 0.000023079 -0.000019409 -0.000043404 0.000030936 -0.000015205 0.000022827 -0.000016524 -0.000051198 0.000034626 -0.000018721 0.000015686 -0.000031441 -0.000015078 -0.000006687 0.000009897 -0.000032764 0.000018799 0.000021505 -0.000053656 0.000045275 -0.000026021 0.000041354 0.000072761 0.000003968 0.000010356 0.000001275 -0.000008716 -0.000003120 -0.000017566 0.000004937 -0.000001487 0.000000409 -0.000005873 0.000006682 -0.000007735 -0.000000982 -0.000006973 -0.000006110 -0.000013310 0.000002452 0.000013475 -0.000010893 -0.000020696 0.000019147 -0.000008419 0.000006374 -0.000002717 -0.000014420 0.000009679 -0.000004429 -0.000002328 0.000002965 0.000007689 0.000002288 0.000001733 -0.000011649 0.000008323 0.000011192 -0.000015842 0.000000950 0.000008009 -0.000008320 -0.000005959 0.000006544 -0.000001406 0.000000029 0.000001543 0.000003528 0.000005243 0.000000630 -0.000002333 0.000006669 0.000001607 0.000008238 -0.000002849 -0.000001727 0.000005103 0.000003455 0.000006030 -0.000000826 0.000009653 -0.000013393 -0.000012649 -0.000009706 -0.000000064 -0.000970602 0.000529780 -0.000565866 -0.003964410 0.001378971 0.002555940 0.000191129 -0.002493831 0.003920057 0.000414509 -0.001188501 0.000185227 0.001076716 -0.001114576 -0.001251927 -0.001474699 0.001135742 -0.000083931 -0.001075137 0.000291607 -0.000843494 0.000953829 0.001025591 -0.000043742 0.000901858 0.000531469 -0.000207298 0.000204983 0.000381062 -0.000145458 0.000039687 -0.000080856 0.000086036 -0.000103680 -0.000027676 0.000050743 -0.000038615 0.000104875 0.000254860 -0.000167956 0.000029062 -0.000034861 -0.000024519 -0.000323467 0.000145052 -0.029490097 0.025128859 0.002739021 0.015134988 -0.016276716 -0.022840587 0.019182180 0.007063859 -0.033163130 0.025606253 0.015446622 -0.009171337 -0.006502662 0.005333186 0.005274704 0.000011126 -0.000018024 -0.000014689 0.000009865 -0.000005062 -0.000004171 0.000045921 0.000008287 -0.000029001 -0.000002545 -0.000015561 0.000045626 0.000030698 -0.000010671 0.000036421 -0.000017440 0.000017701 0.000019821 -0.000015323 0.000008902 -0.000004766 -0.000006090 0.000007796 0.000003912 0.000001900 -0.000023950 0.000013092 0.000026717 -0.000015629 0.000004448 -0.000007000 -0.000012031 -0.000000661 -0.000013942 -0.000017194 -0.000005526 -0.000022297 -0.000003660 -0.000004627 -0.000007455 0.000006549 0.000000848 -0.000005416 0.000005098 0.000002038 0.000012616 0.000044671 0.000000950 0.000003937 0.000014819 0.000001966 -0.000015292 -0.000006242 0.000012495 -0.000000061 0.000005124 -0.000007057 -0.000013980 -0.000003255 -0.000006257 -0.000018457 0.000091057 0.000038456 -0.000019283 0.000095373 0.000027440 0.000018998 0.000014388 0.000029991 0.000008742 0.000027606 -0.000059525 -0.000063895 0.000013129 -0.000050125 0.000000144 -0.000044902 -0.000012843 0.000009862 -0.000016958 0.000016261 0.000039367 0.000004398 0.000011196 0.000019708 0.000011723 0.000040771 0.000010698 0.000028954 0.000035460 -0.000008924 -0.000013805 -0.000000918 -0.000007255 -0.000019170 -0.000028298 -0.000023555 0.000015698 -0.000011377 -0.000015919 -0.000006660 0.000014232 0.000021788 0.000006822 0.000004503 0.000018009 -0.000047888 0.000003943 -0.000079846 -0.000060820 -0.000035815 0.000139790 0.000015475 0.000079546 0.000078888 -0.000057545 0.000125587 0.000099103 -0.000075725 0.000042079 0.000043361 0.000049557 -0.000022233 0.000015779 0.000044364 -0.000010844 -0.000039050 -0.000008812 -0.000104932 -0.000037357 -0.000024250 -0.000122760 -0.000053003 -0.000087843 -0.000021994 -0.000002252 0.000004731 0.000010424 -0.000023261 -0.000009172 -0.000025876 -0.000058903 0.000007078 -0.000018758 -0.000027424 0.000005469 0.000007663 -0.000000629 0.000013896 0.000013627 -0.000298593 0.000226831 0.000124332 0.000435839 0.000467762 0.000333977 -0.000251005 -0.000211326 0.000211776 -0.000163066 0.000769744 -0.001106704 -0.000670245 -0.000035299 -0.001147020 0.000477683 -0.000296500 -0.000173603 -0.000317443 -0.000497891 0.000066617 -0.000237667 -0.000091033 -0.000283682 -0.000531804 -0.000373075 0.000590314 0.000416264 0.000176274 0.000711438 -0.000031300 0.000069001 0.000030423 -0.000026185 0.000008324 -0.000106611 0.000089973 0.000101138 -0.000041638 0.000050384 -0.000044304 0.000113434 0.000076313 0.000032382 0.000161765 0.737768337 -0.188617597 0.666901498 0.033740408 -0.223063112 0.359124332 0.009194122 -0.014405764 0.003926464 0.557974058 -0.019462285 -0.019279016 0.020108267 -0.029162206 0.566514877 0.007182873 -0.000910228 -0.009563386 0.016730918 -0.014158802 -0.003596299 0.003831675 -0.001473176 -0.248572873 0.088490268 -0.002512179 0.000187209 -0.000192202 0.091598857 -0.088502289 0.001493155 0.000087377 0.000639666 -0.061907086 0.025968330 -0.004901369 -0.000264951 -0.001115842 -0.048926766 -0.008585926 -0.003457869 0.000994137 -0.002921897 -0.004906511 -0.273454158 0.002358397 0.001550002 -0.000119392 -0.002980617 -0.042052920 -0.003567611 0.005387684 -0.000019400 -0.084132850 0.000231113 -0.001545612 0.002412632 0.001241436 -0.000393093 -0.081799969 0.001237120 -0.003101971 -0.000971215 -0.020880229 -0.013716735 0.000009431 0.000958588 -0.000079065 0.003814291 0.002437917 -0.000066290 0.000048540 -0.000541771 0.002887172 0.000899913 0.001379189 -0.003339821 0.000376604 0.025712749 0.015813817 -0.000178259 0.000061301 0.000128002 -0.003968540 0.001676820 0.000366790 -0.000471550 0.000037966 -0.003102241 0.001462604 -0.000606597 0.000757504 -0.000002350 -0.029725884 0.014904800 0.002263957 -0.000117373 0.000742765 0.000650949 -0.003917140 -0.000603262 0.001850813 -0.000090992 -0.000331572 -0.001820493 0.000542795 -0.001302488 -0.000496829 -0.000553256 -0.033421010 -0.000659061 0.000509963 -0.000454044 0.000464960 -0.000735605 0.000666001 -0.000960828 0.000260300 -0.000120423 -0.006424387 -0.000483868 -0.000179197 0.000462494 0.000306997 -0.002929626 0.000058682 -0.000326004 -0.000229722 -0.000446479 -0.000472715 -0.000104043 0.000865511 -0.000510538 -0.000060709 0.000552069 0.000020410 0.000248214 -0.001266818 -0.000727806 -0.000159100 0.001719391 -0.001398757 0.000765823 0.000527032 -0.000512951 -0.000467223 0.000487937 -0.000134143 -0.000681035 0.000406370 0.000866972 -0.000293401 -0.000462099 0.000917480 -0.000577167 -0.000093410 0.000337195 -0.000154423 -0.000131600 -0.000110698 -0.000152758 -0.000579996 0.000257398 -0.000076737 0.000298758 -0.000997779 -0.000048071 0.000127982 -0.000382081 0.000107894 -0.003996207 0.002693436 0.000943673 0.000642745 0.000713440 0.000854023 0.000535301 -0.000982767 0.000682588 -0.000883296 0.005129481 -0.003610708 0.000129821 -0.000128311 -0.000509288 -0.001157036 0.000980167 -0.000307153 -0.000190338 -0.000183262 0.000040164 -0.000051652 0.000079458 0.000129019 -0.000176621 -0.001228954 0.000954556 -0.000267777 0.000236194 0.000331509 0.000186110 -0.000559347 0.000193915 -0.000424588 0.000304535 -0.000034706 -0.000202801 0.000038116 -0.000083797 0.000046012 0.000334531 -0.000204101 0.000060887 0.000595561 -0.000186874 -0.000092277 0.000327866 -0.000230617 0.000021930 0.000054323 0.000050490 -0.000246829 0.000095607 -0.000019143 0.000095042 0.000226947 -0.000185921 0.000088071 -0.000103010 0.000011721 0.000677379 -0.000501866 0.000148543 0.000010126 -0.000151383 0.000357065 -0.000270254 0.000083750 -0.000118022 0.000033383 -0.000857398 0.000549204 -0.000099926 -0.000310590 0.000105390 -0.458340525 0.200974414 -0.060213322 -0.008283071 -0.006467540 0.214071729 -0.229996165 0.050739898 0.004047678 0.002553870 -0.066522779 0.058582900 -0.105586015 -0.001675282 -0.002981330 -0.100090515 0.040889921 -0.013908615 -0.166783493 -0.035072710 0.018795521 -0.251240711 0.098074304 -0.039456979 -0.101356426 -0.012704257 0.139129885 -0.127784611 0.054117446 0.039444391 -0.005850082 -0.003558582 0.000349657 -0.015784703 0.006204621 0.031564371 -0.005406639 0.003948723 -0.012444394 0.004019328 -0.011132536 -0.008542744 -0.001487729 0.016902966 -0.006229288 -0.173019013 -0.012228958 0.015700712 0.003499654 0.002717140 -0.032902402 -0.114733220 0.038575170 0.004792424 -0.002093955 0.035615417 0.043460986 -0.090343103 -0.001580798 0.003778264 0.000008455 -0.000543470 0.000246704 0.000091343 0.000004898 -0.000422340 0.001085297 -0.000456073 -0.000015436 0.000026717 -0.000033900 0.001197275 -0.000466635 -0.000147285 0.000003703 -0.000082531 0.000768246 -0.000342839 -0.000100195 -0.000002256 0.000232558 -0.000171641 0.000080865 0.000010145 -0.000010725 0.000132778 0.000609569 -0.000296268 -0.000045746 -0.000011487 -0.000172420 0.000191196 -0.000057459 -0.000089295 -0.000067296 -0.000140625 0.000017978 0.000032253 -0.000063118 0.000006124 -0.000027640 -0.000107342 0.000034304 0.000022487 0.000000600 -0.000131948 0.000346579 -0.000229404 0.000011319 0.000009427 0.000214110 -0.000476202 0.000240751 0.000032628 -0.000037244 -0.000399602 0.000134038 -0.000040112 -0.000010685 0.000032651 -0.001283488 0.003302924 -0.001636143 -0.000400239 0.000080124 0.001385801 -0.001714723 0.000054473 0.000172859 0.000081662 -0.000461469 -0.000671789 0.000839402 0.000042444 -0.000242456 0.000181798 -0.000758759 0.000488254 0.000015888 -0.000043344 -0.000065541 0.000272891 -0.000166161 0.000015162 -0.000031694 0.000521201 -0.000169430 0.000058098 0.000157431 0.000134274 0.000144644 -0.000179501 0.000114739 0.000014980 0.000033815 0.000476029 -0.000131961 0.000095604 -0.000045409 -0.000099674 0.000903865 -0.000535943 0.000166791 0.000004370 -0.000072706 -0.001656546 -0.000270003 -0.002493371 0.000309702 0.000701766 -0.000668601 0.003399190 -0.003190242 -0.000603864 -0.000691505 -0.000589469 0.002262717 -0.004819333 -0.000662912 -0.000671981 -0.002112396 0.000023050 -0.003655192 0.000107320 -0.000376753 -0.004543812 0.001691008 -0.003986442 0.000415548 0.000045181 -0.007868728 0.003007573 -0.004429318 -0.000097139 0.000835761 -0.000290723 0.000525968 -0.000346414 -0.000299390 -0.000891543 -0.000074605 -0.000125873 0.000309137 -0.000649611 0.000184621 0.000280632 -0.000211162 0.000090828 -0.000631816 -0.000602332 0.007716836 0.011872348 -0.007178959 -0.001835204 0.002015143 0.003479276 -0.025376853 -0.000609015 0.003966121 0.003282896 0.005359501 -0.060277042 0.030658045 0.006356135 0.001080051 -0.004023855 -0.019819327 0.014804729 0.002812185 0.000688331 -0.003148875 -0.007948022 0.005472859 -0.000160225 -0.001298295 -0.000435341 0.025830472 -0.018150532 -0.002862142 -0.002119449 -0.001668709 0.002970137 -0.002894324 -0.000317654 0.001122502 -0.001614761 0.008002097 -0.004764224 -0.001460056 -0.001492486 -0.000643261 0.004742229 -0.004569518 -0.000946395 -0.003084787 0.461515235 -0.061317777 0.270915638 0.027172694 -0.097420129 0.093145836 -0.066190724 0.065377927 -0.029426139 0.077090229 -0.003464692 0.003141537 0.026265336 0.006492548 0.048990691 -0.046974137 -0.001223005 -0.010288042 -0.002160776 0.013549281 -0.052905404 0.001497086 0.008157799 0.001324257 -0.000381638 -0.016888934 -0.002859961 -0.005018421 -0.029333442 -0.000613462 -0.007682719 0.000736055 0.002147163 0.013608397 -0.006100961 -0.181554802 -0.000743666 -0.000883936 -0.009820780 -0.002580648 -0.004357924 0.000647975 0.000184148 0.000474377 0.000133494 -0.002536371 -0.000107413 -0.000094851 0.000319512 0.000445393 -0.014717196 -0.000368025 0.000463762 0.001087024 0.000256874 -0.001001040 0.001108082 -0.000734088 -0.000885425 0.000176434 -0.001875204 -0.000025423 0.000808895 -0.000823091 -0.000554783 -0.011228012 -0.000486557 -0.001217766 -0.006580488 0.000290625 -0.001652456 -0.000303367 -0.000751518 -0.000071201 0.000538343 -0.008218456 0.000412457 0.000360958 0.000644460 0.000593589 -0.010959568 -0.000284912 -0.000006325 0.001093762 -0.001238768 0.000592289 0.000094787 0.000150951 0.000265873 0.000124462 0.000672613 -0.000170875 0.000031723 0.000174465 -0.000364672 0.000950202 0.000007366 0.000173038 0.000224165 -0.000108283 0.000600397 0.000034302 -0.000052377 0.000015848 -0.000003025 0.000941570 0.000039094 -0.000079009 -0.000029459 0.000191978 0.000031331 0.000028683 -0.000054517 -0.000040137 0.000241478 0.000497229 -0.000175993 0.000257622 -0.000079756 0.000015765 0.000180768 0.000359363 -0.000360594 -0.000904811 0.000108223 0.001208381 -0.000070915 -0.000717124 -0.000302086 -0.000211871 -0.000545492 0.000062050 -0.000102615 0.000148084 0.000053613 0.000540653 -0.000009865 0.000077657 0.000084952 -0.000002192 -0.000017555 0.000273843 0.000152842 0.000256589 0.000196181 0.000284581 0.000133287 0.000029073 0.000141455 -0.000021267 -0.000064854 -0.000247574 -0.001900512 -0.000924220 -0.000296870 -0.000130776 0.000218420 -0.000889753 0.000150840 0.000186886 -0.000101692 0.000065648 0.000204300 0.000000384 0.000083259 0.000296053 0.000169223 -0.000029194 -0.000493865 -0.000036781 -0.000603450 0.000371744 -0.000149049 -0.000275619 -0.000011758 -0.000030739 0.000095748 -0.000137765 0.000603112 0.000091556 -0.000106991 0.000030979 0.000050642 0.000212136 0.000077067 0.000356695 -0.000032256 0.000123808 -0.000435468 -0.000063128 -0.000180858 -0.000011333 -0.000022229 -0.000001245 -0.000010834 0.000096100 0.000066567 -0.000057108 0.000138778 0.000017317 0.000058303 0.000032980 -0.000028681 0.000079335 0.000008615 0.000038328 -0.000057862 -0.000078722 -0.000040907 -0.000020629 -0.000176637 0.000027267 -0.000039778 0.000195893 0.000021569 -0.000066160 0.000085900 0.000067202 0.000218224 0.000078354 -0.000156361 0.004113484 0.000935562 -0.000824275 0.001658389 -0.001193044 -0.000013681 -0.000842739 0.000100264 0.000059352 -0.000120950 -0.000540928 0.000275109 -0.000922160 -0.000387160 0.063703993 -0.023286863 -0.011949389 0.016136937 -0.000351805 0.055275588 0.008221124 0.005992797 -0.007944044 -0.023871985 -0.111864558 -0.004856014 -0.004586832 0.004988336 0.001518542 -0.006132271 -0.002243381 -0.002104278 0.002271733 0.000270044 -0.004227720 -0.002286004 -0.000808235 0.001925066 0.000688875 0.002323303 0.002629346 0.001755970 -0.001537892 -0.000347188 0.001457539 0.000521532 0.000879667 -0.000571450 0.000142421 0.002208789 -0.000354803 0.000548339 -0.000253270 -0.000960542 0.002321922 0.000168832 -0.000420314 0.000209318 0.001544789 -0.000062795 0.000009257 0.000014607 -0.000018606 -0.000012942 0.000076891 0.000000232 0.000041950 0.000002454 0.000035003 0.000208754 0.000040937 -0.000037432 0.000011094 0.000037089 0.000093371 0.000008863 -0.000009005 0.000005153 0.000026081 -0.000007933 -0.000007061 -0.000003973 0.000007429 -0.000009299 0.000061840 -0.000010905 0.000020243 0.000018699 0.000027100 0.000040009 0.000014551 -0.000031604 -0.000002111 -0.000000059 0.000011927 0.000014805 -0.000025345 -0.000009434 0.000000937 -0.000017425 0.000007164 -0.000006095 -0.000008736 -0.000006908 0.000011443 0.000001074 0.000006223 -0.000005651 0.000000456 -0.000027632 -0.000005710 -0.000005661 0.000004219 -0.000014292 -0.000007204 0.000013661 0.000000161 -0.000018144 0.000003140 0.000681568 0.000317887 -0.000249068 -0.000147783 0.000075701 0.000056472 0.000033254 -0.000177345 0.000033196 -0.000127570 0.000151452 -0.000044916 0.000090731 -0.000059624 0.000054649 0.000034747 -0.000027339 0.000011691 0.000001366 -0.000008661 -0.000033466 -0.000020786 0.000026657 -0.000000059 0.000014393 -0.000102654 -0.000136717 0.000148107 0.000070181 0.000030823 -0.000018622 -0.000015527 0.000017070 0.000016139 0.000010336 0.000044887 -0.000037041 0.000016879 0.000053370 0.000013935 0.000012359 -0.000044493 -0.000000672 0.000064251 -0.000000602 -0.001322550 -0.000113351 0.000255958 0.000118287 -0.000027254 -0.000628897 -0.000299808 0.000572171 -0.000324766 0.001039614 -0.000347488 -0.000002845 -0.000328503 -0.000449199 0.000257629 -0.000015267 -0.000051062 -0.000009255 0.000059558 -0.000085949 0.000043644 -0.000118814 0.000077976 0.000175209 0.000003929 0.000174816 0.000270475 0.000194119 -0.000301901 -0.000067259 0.000064545 0.000218146 -0.000134989 0.000068493 -0.000152376 0.000294214 0.000311846 -0.000601856 -0.000529468 -0.000013838 -0.002223232 -0.000178959 -0.000249525 -0.000630121 -0.000299707 0.006085709 -0.000428304 0.000569416 0.000522797 0.000964660 0.002205065 -0.000254261 -0.000512388 -0.000444003 -0.003698499 -0.008925804 -0.001057654 0.000988295 0.000527793 -0.001485350 -0.001714412 0.000087205 -0.000016907 -0.000186264 -0.000680612 -0.002383219 -0.000056005 0.000244500 0.000216470 0.000579122 -0.000597260 0.000509938 -0.000516332 -0.000221983 0.000587643 0.000666246 0.000069053 -0.000126661 -0.000063956 -0.000456496 0.001009303 -0.000122646 0.000162454 0.000237422 0.001199714 0.001069646 0.000083724 -0.000291995 -0.000137600 -0.000328095 0.299589756 0.046225776 0.067258751 0.000506432 -0.000746385 0.594099286 -0.005328436 -0.034814026 -0.001172107 0.515225408 -0.000065067 -0.010157213 -0.006839129 -0.030625031 0.483139262 0.000423996 0.000683824 -0.186357885 -0.087607836 0.085932801 0.000437705 0.000115668 -0.086396989 -0.105775257 0.054951560 -0.000494640 0.000919559 0.085345703 0.055906602 -0.101629941 -0.000544629 -0.000353266 -0.233777947 0.098064051 -0.056067659 0.000548385 0.000213187 0.095819508 -0.098811376 0.030739052 -0.000201068 0.001265085 -0.055595551 0.030999679 -0.064195889 0.000028022 -0.000892898 -0.084430156 -0.008098714 -0.002115333 0.001550671 0.001520771 -0.006369178 -0.190785128 -0.031502430 -0.001347876 -0.006407140 -0.001662440 -0.035883442 -0.094777762 -0.000093977 -0.000221489 -0.001296812 -0.000741770 -0.003066037 -0.000535331 -0.001858941 -0.003185840 -0.000756472 -0.034670475 -0.000137333 -0.000939792 -0.000565290 0.002265446 -0.010190916 0.000030527 -0.000133738 -0.001006462 -0.000350632 -0.000013749 0.000136884 0.000083895 -0.026498482 -0.016071615 0.012795712 0.000222354 0.000095108 -0.009427838 -0.004320017 0.005190959 -0.000123585 -0.000385699 0.003245318 0.004186112 0.002946000 0.000237183 0.000633286 0.026822047 -0.019598143 0.006900499 0.000192983 -0.000127141 0.010558552 -0.004702049 0.003947653 -0.000003604 0.000116630 -0.004471922 0.001430492 -0.001908836 -0.000016688 -0.000092926 0.004356514 0.000077512 0.001897319 -0.000118072 0.000101668 -0.001466300 0.000507583 -0.000059847 -0.000105957 0.000119133 0.000433016 -0.000875943 0.000250484 0.000233823 -0.000047996 -0.000456708 0.000169547 0.000855854 0.000005449 0.000037960 0.000107253 -0.000107712 0.000439976 -0.000103255 -0.000002714 0.000904962 0.000367310 -0.000421474 -0.000053896 -0.000109689 0.001196574 0.001218043 -0.000207114 -0.000045230 0.000064765 -0.000087174 0.000542643 -0.000225126 -0.000045569 0.000009705 -0.001165557 0.000486730 -0.000104133 -0.000036472 0.000047146 0.000469366 -0.000561966 -0.000058147 0.000062379 -0.000007509 -0.000176503 -0.000762258 0.000557407 0.000049698 0.000105907 0.000131922 -0.000929633 -0.000025646 -0.000001809 -0.000003934 -0.000321143 -0.000480321 0.000312613 0.000001713 -0.000012367 0.000010275 0.000128964 0.000056371 0.000031089 -0.000049007 -0.000012359 0.000108940 -0.000069044 0.000002684 0.000007055 -0.000099023 0.000245262 -0.000280931 -0.000078958 0.000011354 0.000327189 0.000087950 -0.000137359 0.000808305 0.000399879 0.003107806 0.001105937 -0.000944991 -0.000487111 0.000125476 -0.000611951 -0.000920519 0.000240959 0.000666937 -0.000093599 0.000287590 -0.000115777 0.000117175 -0.003690759 0.000219007 0.003410643 0.002305991 0.006374753 -0.012682011 0.017739905 -0.001676822 -0.000025291 0.006066687 0.006753157 0.000781967 0.025998669 0.014599192 -0.023105005 -0.000373478 0.000030070 0.000475361 0.000136599 -0.001113742 0.000349463 -0.000507664 -0.000004537 0.000375980 -0.000185403 0.000252859 0.000244051 0.000524763 -0.000750537 0.001964835 -0.000676085 0.000021514 -0.001214957 -0.000716148 0.000082882 -0.001460587 0.000892692 -0.001793383 -0.000990586 -0.000167776 0.001584139 -0.001048837 0.000115010 0.000197521 0.000532118 -0.000017490 -0.000014763 0.000004504 0.000017901 -0.000017851 -0.000034484 0.000007023 -0.000001180 -0.000018367 0.000016078 0.000065315 0.000001837 0.000030429 -0.000010136 0.000022595 0.000020375 0.000006427 0.000013953 -0.000014594 0.000019246 0.000000397 0.000002460 -0.000005481 0.000001313 0.000004985 -0.000005119 -0.000001804 0.000000963 -0.000016121 0.000029741 0.000063646 0.000003383 0.000017404 0.000009612 -0.000005369 0.000016739 -0.000004921 0.000017405 -0.000003584 -0.000003982 0.000004321 -0.000006810 0.000010687 0.000010295 -0.000017094 -0.000009424 0.000007397 -0.000007171 -0.000003242 0.000000580 0.000021750 -0.000003172 -0.000006208 0.000012351 -0.000005447 -0.000014544 0.000002182 0.000008090 -0.000005562 -0.000009184 0.000347394 -0.000239696 0.000288868 0.000088922 -0.000124269 0.000128426 -0.000230435 0.000080835 0.000101168 -0.000117884 0.000039724 0.000218871 -0.000055255 0.000046428 0.000009959 0.000011047 0.000076851 -0.000035426 0.000000562 0.000023438 -0.000004902 0.000024028 -0.000023782 0.000000603 0.000003693 -0.000217632 0.000117262 -0.000130202 -0.000082974 0.000096271 -0.000034441 -0.000004895 -0.000002562 -0.000010420 0.000006555 0.000053016 -0.000003213 -0.000006453 0.000001022 0.000031543 0.000044878 -0.000014267 -0.000016021 0.000019891 0.000011511 -0.000762451 -0.000111446 -0.000149210 -0.000481586 0.000047305 0.000077489 0.000185529 -0.000136218 -0.000008345 0.000056007 0.000483305 -0.000321983 0.000081968 0.000100809 0.000239346 0.000111342 0.000198883 -0.000111008 0.000072213 0.000050340 -0.000080205 0.000031670 -0.000192772 0.000008072 0.000046782 -0.000319812 -0.000048305 0.000101910 -0.000280749 -0.000053625 0.000671824 -0.000521320 0.000266914 0.000330334 -0.000219376 0.000247460 0.000091393 0.000380046 0.000034121 -0.000127369 -0.000000820 -0.000547015 -0.000143345 -0.000038680 -0.000199311 0.001070253 0.000710287 -0.000787296 0.000031937 0.000400404 -0.002276198 0.003510918 -0.002238208 -0.001071949 0.001604839 -0.003957545 0.000549146 -0.001055138 -0.000169178 0.000595846 -0.001270979 -0.000146222 -0.000477071 -0.000123203 -0.000047158 0.000208539 -0.000706465 0.000582878 0.000376204 -0.000459335 0.001101187 -0.000508457 0.001411409 0.000104140 -0.000270589 -0.000119584 0.000396490 0.000137215 -0.000267525 -0.000000999 0.001563760 -0.000766259 0.000176683 0.000548529 -0.000355869 0.001367391 0.000431001 -0.000304710 0.000263350 0.000331966 0.199774793 0.097190906 0.115252394 -0.094114249 -0.057997540 0.112241182 -0.018545769 0.010263249 -0.006207258 0.248925798 -0.013238918 0.007376759 -0.004890088 -0.105743478 0.109408510 0.012684371 -0.007518300 0.003870155 0.063381971 -0.029759851 -0.000426251 -0.024899695 -0.009329452 0.001906273 0.028903743 -0.000384846 -0.015084759 -0.006470341 -0.003108359 -0.016417140 0.000219185 0.015165162 0.004395032 0.000157513 0.008924577 0.000120413 0.000216229 -0.000398485 0.000141119 -0.000036348 -0.000432062 0.001062089 0.000421183 0.000407463 0.001033848 -0.000585298 -0.000366002 0.000699581 0.000638738 -0.000416748 0.001081996 -0.000126000 0.000221847 0.000909302 -0.000005350 -0.000219458 -0.006099530 -0.002647232 0.000257321 0.000699470 -0.000512473 -0.002250247 -0.000159958 0.000144815 0.000670356 0.000006607 -0.001086480 0.000484423 0.000832158 -0.002660257 0.000129454 0.000761707 0.000795782 -0.000309642 -0.005194091 -0.000493375 0.000261373 -0.000071818 0.000267685 -0.003379294 0.000141915 0.000198514 -0.000198048 -0.000063937 0.001548452 -0.000183950 0.000267621 0.000020059 0.000065158 -0.001417537 0.000059656 -0.000208974 -0.000029323 -0.000074429 0.000340568 -0.000013230 0.000032790 0.000052500 -0.000014200 -0.000142597 0.000096388 -0.000031540 -0.000010986 -0.000062516 0.000219757 0.000012013 -0.000046037 -0.000114702 0.000036641 -0.000107980 -0.000672440 0.000231462 0.000578819 0.000052803 -0.000770161 0.000281983 -0.000246482 0.000124577 -0.000183052 -0.000087924 -0.000234011 0.000051260 0.000556110 -0.000317247 -0.000034057 -0.001107687 0.001319818 -0.000350407 0.000337189 0.000094809 0.001354457 -0.000218349 -0.000083690 0.000128383 0.000259552 0.000157520 0.000427148 -0.000218651 0.000144509 0.000091622 0.000236178 0.000116473 -0.000081981 0.000044963 0.000184223 0.000303917 0.000466327 -0.000328322 0.000234663 0.000156678 -0.000059011 -0.000013798 -0.000132065 0.000037732 0.000002653 -0.000001280 0.000071648 0.000045026 0.000034959 0.000073247 -0.000174882 -0.000103532 0.000056939 -0.000036606 0.000011246 -0.000122241 -0.000235583 -0.000109678 0.000027900 -0.000118150 0.000360807 0.000164733 -0.001542843 0.000279830 -0.000480386 -0.000353719 0.000046664 0.000966264 -0.000105874 0.000438364 0.000108882 0.000136884 -0.000309750 -0.000084058 0.000103007 0.000649965 -0.000383955 -0.002760129 0.001227416 0.000116254 -0.000335472 0.001180081 -0.000037555 -0.000977243 0.000004339 0.000812827 0.000301820 -0.006946704 0.000419275 0.000095487 0.000305997 -0.000104358 0.000105436 0.000304468 -0.000180815 -0.000082758 -0.000146603 -0.000043311 0.000417886 -0.000051119 -0.000461877 0.000094953 0.000215065 -0.000456006 0.000251194 -0.000188787 0.000048487 0.000836896 0.000197588 -0.000101015 -0.000217711 0.000067686 0.001249423 0.000179868 0.000035080 0.000165501 0.000106434 -0.000488305 -0.000141028 -0.000048405 -0.000018953 -0.000012121 0.000036030 0.000000850 0.000003018 0.000006981 0.000002250 -0.000009973 -0.000008196 -0.000004287 0.000030716 0.000016928 -0.000057498 -0.000004557 -0.000004532 0.000019482 0.000011617 -0.000037403 -0.000005401 -0.000003035 0.000002183 0.000000257 -0.000002702 -0.000003121 0.000001206 0.000023223 0.000010071 -0.000036701 -0.000019417 -0.000000638 0.000013080 0.000008881 -0.000027356 0.000004422 -0.000002468 0.000004220 0.000006743 -0.000013809 0.000008477 -0.000002354 -0.000009895 -0.000005130 0.000013880 0.000006136 0.000000832 -0.000002102 -0.000001431 0.000004204 0.000000767 0.000000301 -0.000001393 -0.000003841 0.000006993 -0.000003966 0.000003418 -0.000006496 -0.000000614 0.000008402 0.000008436 -0.000001347 0.000040429 0.000022900 -0.000113227 0.000022964 -0.000011274 -0.000034103 -0.000013541 0.000030066 0.000035382 -0.000000213 -0.000038135 -0.000023975 0.000072888 0.000020190 -0.000003817 -0.000008773 -0.000004406 0.000021873 0.000005885 0.000000325 0.000000046 -0.000000946 0.000003690 -0.000002514 -0.000000488 -0.000006265 -0.000007467 0.000034524 -0.000019069 0.000002377 -0.000000584 0.000000467 0.000000551 -0.000003303 -0.000000303 0.000023989 0.000007947 -0.000034358 -0.000023252 0.000000647 0.000010734 0.000003080 -0.000018060 -0.000009804 -0.000000689 -0.000017010 0.000001305 0.000091327 -0.000014177 0.000016254 0.000101202 0.000048422 -0.000141633 -0.000130536 -0.000013157 0.000113694 0.000058400 -0.000162935 0.000064153 -0.000048468 -0.000001251 -0.000006246 0.000010831 -0.000000785 -0.000005151 -0.000034350 -0.000022015 0.000091159 -0.000003411 -0.000001618 -0.000026420 -0.000004967 0.000062773 0.000041145 -0.000001983 0.000016617 0.000007795 -0.000079924 0.000031923 -0.000016332 -0.000000731 0.000019067 -0.000061819 0.000071205 -0.000002530 -0.000005686 -0.000002314 0.000033184 -0.000006741 0.000005858 0.000199104 0.000057395 -0.000169471 -0.000176315 -0.000027166 -0.000421732 -0.000267203 0.001218592 0.000294799 0.000064196 -0.000695012 -0.000486679 0.001395428 0.000262444 0.000011950 -0.000263218 -0.000164609 0.000634704 0.000243065 -0.000039316 -0.000009971 -0.000003891 -0.000129256 -0.000021728 -0.000010599 0.000381925 0.000258850 -0.001035857 -0.000193635 0.000013636 0.000039501 0.000044161 -0.000078185 -0.000029390 0.000014381 0.000111241 0.000085447 -0.000224018 -0.000117133 -0.000021790 0.000017185 0.000020985 0.000008911 0.000005117 0.000016394 0.072289341 0.009398616 0.542700481 -0.005308892 0.035490317 0.496057374 0.001822813 -0.024332892 -0.020721571 0.578951245 0.000590348 -0.052877113 -0.000657680 -0.024607480 0.053559115 0.000332453 -0.000917743 -0.047312487 0.002621393 -0.003404767 0.000339690 -0.025364139 0.001566884 -0.291934060 0.030495585 -0.000401394 -0.222421884 -0.091975088 0.081524689 0.004775074 0.000520975 -0.092345803 -0.095728869 0.043788062 0.001191923 0.000377180 0.084740724 0.044479364 -0.089488821 0.025059095 -0.000335385 -0.156356848 0.050712848 -0.027205480 -0.004042899 -0.001719875 0.052637085 -0.120681545 0.018502755 0.001132533 -0.000104459 -0.023277116 0.016107027 -0.092241304 -0.028241571 0.000238339 0.002770227 0.026070848 0.011554121 0.000965335 -0.000375160 -0.003072493 -0.017769586 -0.008471868 -0.000437776 0.000215739 -0.000118038 0.010408997 0.002523706 0.000645336 0.000073457 -0.002312222 0.002701904 -0.027667789 -0.004241594 -0.000292681 0.000930466 -0.001892477 0.019596250 0.003134191 0.000017276 -0.001603394 0.001248170 -0.005854737 -0.000713235 -0.000132694 -0.028642814 -0.007671284 0.009815794 0.001643163 -0.000126834 0.016523564 0.010224759 -0.007711267 -0.000048353 0.000131135 -0.005918549 -0.004163241 0.002460154 -0.001577248 -0.000013120 0.000935250 -0.000543532 -0.000604838 -0.000064149 0.000009255 0.000526185 0.000002361 0.000397782 0.000027114 -0.000181849 -0.000497695 -0.000633108 -0.000057142 0.000050381 -0.000022681 -0.003929633 -0.004365790 0.003502344 0.000293060 -0.000090038 -0.002098444 -0.000820902 0.001038005 0.000046843 -0.000005360 0.001231764 0.001072714 -0.000384167 0.000386148 -0.000027983 0.002158895 -0.000081841 0.001359681 -0.000199217 0.000104101 0.000854394 0.000337656 -0.000807949 -0.000275780 0.000028219 -0.000932496 0.000089322 0.000811037 0.000914198 0.000876815 -0.001169989 0.000863749 -0.000011196 0.000542278 -0.000009121 0.000416782 -0.000971239 0.000037495 -0.000349096 -0.000016948 0.000666195 -0.000338092 0.000672017 -0.000230178 -0.001337398 -0.000117271 -0.000105728 -0.000986108 0.000367436 -0.000866219 -0.000082460 -0.000507784 -0.000704592 0.000450941 0.002118411 -0.000685729 -0.000033442 -0.000064617 0.000597081 0.000942051 -0.000084931 -0.000120879 0.000192041 0.000052858 -0.000044984 0.000218906 0.000065388 0.000059742 -0.000086870 -0.000175865 0.000082082 0.000052185 -0.000001070 -0.000092606 0.000114786 -0.000793463 -0.000357175 0.000212083 0.000220388 0.000008854 -0.000223940 -0.000452438 0.000177820 0.000008295 -0.000063706 -0.000336724 0.000026127 0.000237647 0.000094695 0.000001711 0.000009203 -0.000005030 0.000012321 -0.000007113 -0.000007405 -0.000014155 0.000009325 -0.000008801 0.000008831 0.000007868 -0.000015412 0.000002756 -0.000006002 0.000011065 -0.000000150 -0.000012298 0.000006084 -0.000007604 0.000008724 -0.000003820 0.000003911 0.000000750 -0.000000295 -0.000001458 -0.000015011 -0.000006857 0.000011153 -0.000007587 0.000006417 0.000009998 -0.000006767 -0.000003870 0.000001452 0.000004088 0.000010601 -0.000006167 0.000000798 -0.000000442 0.000002714 0.000007436 0.000002209 -0.000005248 0.000006173 -0.000002001 -0.000000607 -0.000000387 0.000000539 -0.000002352 0.000000720 -0.000002300 0.000009043 -0.000007239 0.000005173 -0.000005211 0.000008677 -0.000005122 -0.000000225 0.000000859 0.000001295 0.000116964 -0.000048320 -0.000043660 0.000064343 0.000022055 0.000043006 0.000018319 -0.000032725 0.000052942 -0.000012992 -0.000005175 0.000016353 -0.000010077 0.000013980 -0.000007408 -0.000004662 0.000008699 -0.000003756 -0.000001684 -0.000003409 -0.000009660 -0.000000356 0.000002991 -0.000006048 0.000000565 -0.000056010 0.000010146 0.000026700 -0.000041766 -0.000002703 -0.000006872 -0.000000949 0.000005070 -0.000003248 0.000000174 -0.000020212 -0.000001117 0.000001151 -0.000002793 0.000002745 -0.000016905 0.000006733 -0.000000180 -0.000000822 -0.000000512 -0.000074210 -0.000021297 0.000074558 -0.000141838 -0.000002121 -0.000165937 -0.000071095 0.000052335 -0.000048500 0.000045542 0.000101492 -0.000096927 -0.000071092 0.000045699 0.000071906 -0.000013978 0.000005653 0.000020149 -0.000000002 0.000006579 -0.000062087 -0.000010152 -0.000017867 -0.000019792 0.000007023 0.000089696 -0.000066424 0.000001156 -0.000043236 0.000018100 0.000101413 -0.000016932 -0.000067738 0.000121987 0.000007220 0.000170475 -0.000030572 -0.000054889 0.000068737 0.000009191 -0.000018456 0.000003480 0.000014353 0.000002326 -0.000007687 -0.000199295 -0.000107762 -0.000018171 0.000048049 0.000121892 -0.000013213 0.000317097 0.000033425 -0.000338652 -0.000127680 -0.000110559 0.000636914 0.000083833 -0.000075558 -0.000406052 0.000142156 0.000187614 -0.000139241 0.000059928 -0.000157320 0.000011720 0.000016137 -0.000034388 0.000120588 -0.000040918 0.000059740 -0.000289540 0.000190136 -0.000063002 0.000190062 0.000003013 -0.000073371 0.000021296 -0.000071869 0.000022648 -0.000067989 -0.000165387 -0.000163279 0.000204117 0.000077913 0.000016050 -0.000012962 -0.000026379 -0.000039604 0.000062290 0.055284173 -0.001373285 0.316704858 0.002899964 -0.001942308 0.241179968 -0.000220137 -0.000384074 0.096639175 0.108823997 0.013025488 -0.010614120 -0.089102354 -0.047629729 0.091568775 0.002917961 -0.000146545 -0.021839414 0.017014865 -0.008960634 -0.001869300 0.000463885 -0.011616284 0.007624646 -0.003992724 0.020233901 -0.008730498 0.010008122 -0.007747070 0.003102806 -0.000481323 -0.000128750 0.000755045 -0.000283044 0.000540911 0.000337053 0.000707976 0.000277873 0.000720496 -0.000215089 0.000280865 0.000838848 0.000523702 -0.000560075 0.000002729 0.003859664 -0.001740314 0.000435950 -0.000494715 -0.000319757 -0.001538987 0.001324932 -0.000502594 0.000681317 -0.000522244 0.000167179 0.001299992 -0.000049601 -0.000022449 0.000603292 -0.001002539 0.000336076 -0.002750661 0.002841996 -0.001270034 0.000079580 -0.000130527 0.004795487 -0.001987531 0.001210544 -0.000358457 0.000818484 -0.002055468 0.001220573 0.000043237 0.000034682 0.000095556 0.000244722 0.000170755 0.000189573 0.000026405 0.000004087 -0.000106597 0.000051807 -0.000037340 -0.000023235 0.000030341 -0.000096756 0.000168895 0.000000337 -0.000101003 -0.000086686 -0.001616768 0.001053515 -0.000467914 -0.000108560 -0.000011552 -0.000576846 0.000325211 -0.000057782 -0.000056161 0.000306801 0.000429900 -0.000125341 0.000392269 0.000089223 -0.000994820 0.000301063 -0.000206250 -0.000299414 0.000254859 -0.000278208 0.000073095 -0.000171334 -0.000066057 -0.000425374 0.000284105 0.000021936 -0.000035527 0.000295141 -0.000770465 0.000300467 -0.000161804 0.000353582 0.000182637 0.000620789 -0.000019329 0.000268932 -0.000382816 -0.000127670 0.000165018 -0.000373963 -0.000058026 0.000016351 0.000180239 -0.000198135 -0.000470697 0.000300046 0.000150574 0.000023940 0.000637433 -0.000691759 0.001085326 0.000673941 -0.000120404 0.000800537 -0.000243501 0.001086121 0.000567742 -0.000125122 0.000092517 0.000062000 -0.000039837 0.000250954 0.000032914 0.000010060 0.000046232 -0.000042040 -0.000222724 -0.000114825 -0.000092954 0.000038745 -0.000039075 -0.000229950 -0.000168995 0.000105535 0.000326940 0.000178293 -0.000018499 -0.000112364 0.000279666 0.000338485 0.000104333 -0.000118584 -0.000151588 -0.000140876 -0.000278811 0.000017074 -0.000001646 0.000234505 0.000004830 0.000017285 -0.000016355 -0.000012875 -0.000012122 -0.000008981 -0.000013878 0.000007200 0.000007338 0.000008674 -0.000002134 -0.000028835 0.000025389 0.000024502 0.000021724 -0.000005516 -0.000023869 0.000017152 0.000014125 0.000015852 -0.000000489 -0.000005835 -0.000000742 -0.000000406 0.000002014 -0.000009719 -0.000038319 0.000013353 0.000011858 0.000019762 0.000002791 -0.000005552 0.000012475 0.000009692 0.000006695 -0.000000154 0.000000841 0.000009032 0.000003296 0.000002799 0.000004648 0.000012466 -0.000006295 -0.000003910 -0.000006162 0.000000029 0.000000848 -0.000001487 0.000000709 -0.000001108 0.000005383 0.000004546 -0.000006756 -0.000002725 -0.000004130 0.000000405 0.000010590 0.000000470 -0.000002226 -0.000004243 0.000038446 -0.000016438 0.000049913 0.000062473 0.000038163 0.000027898 0.000047293 -0.000009027 -0.000015247 -0.000014184 0.000009808 0.000044690 -0.000027170 -0.000019081 -0.000034482 0.000001600 0.000011634 -0.000007060 -0.000007973 -0.000010022 -0.000002082 0.000001819 -0.000001072 0.000000016 -0.000002090 -0.000024095 -0.000011340 -0.000014232 -0.000014242 -0.000006147 -0.000004569 -0.000003959 0.000000326 -0.000002304 0.000002158 -0.000002803 -0.000028338 0.000010801 0.000010040 0.000015519 -0.000001123 -0.000010556 0.000004247 0.000002859 0.000007306 -0.000073591 -0.000017778 -0.000003856 -0.000045249 -0.000011859 -0.000032346 -0.000114567 0.000053798 0.000084649 0.000074896 0.000048912 -0.000069599 0.000128145 0.000132910 0.000072616 -0.000004626 -0.000001383 -0.000008406 0.000005029 -0.000007480 0.000004246 0.000025037 0.000004402 -0.000013537 -0.000023703 -0.000005544 0.000021075 0.000020572 0.000004209 -0.000009578 0.000066430 0.000024224 0.000029162 0.000036622 0.000015664 0.000046801 0.000020401 0.000034423 0.000028049 0.000014739 -0.000012667 0.000002819 -0.000014736 -0.000011065 -0.000003879 0.000002669 -0.000288977 0.000175569 0.000232153 0.000190577 -0.000138878 0.000213886 -0.000298508 -0.000373771 -0.000369784 -0.000107743 0.000871493 -0.000799971 -0.000670894 -0.000641861 0.000047392 0.000429180 -0.000262302 -0.000251110 -0.000294621 0.000043203 0.000097362 -0.000042468 -0.000026998 -0.000001857 -0.000063211 -0.000525016 0.000361905 0.000316766 0.000369088 -0.000017754 -0.000064710 0.000050562 0.000018476 0.000040510 0.000157987 -0.000072355 0.000178959 0.000152970 0.000119936 0.000023234 -0.000097754 0.000076100 0.000059194 0.000038274 0.481732397 0.016605179 0.554822004 0.006450698 0.021389075 0.601873519 -0.052067861 -0.031831569 -0.013646772 0.062302834 -0.031946576 -0.255722808 -0.091649005 0.033883923 0.277733875 -0.013810164 -0.094063088 -0.091936672 0.014886961 0.099584014 -0.050512688 0.000340560 -0.007880335 -0.000715519 0.000773290 0.000742474 -0.056362732 0.028631599 -0.000764518 0.004223562 -0.009184828 0.031334066 -0.314687285 -0.000298167 0.001424510 -0.178085448 -0.043930109 0.035588812 -0.006273519 -0.001455432 -0.042492418 -0.102293649 0.016303551 -0.027795022 -0.010282739 0.037801924 0.016302007 -0.098096158 -0.012976515 -0.005006734 -0.004935712 -0.025937559 -0.014460432 -0.005319833 -0.002254712 -0.002418725 -0.010078345 -0.004668972 -0.002542332 0.000312270 0.002136334 0.011251061 0.006007855 0.002650235 0.001346667 -0.019831784 0.020106441 -0.006943689 0.000851315 -0.000259512 -0.011754395 0.009192787 -0.003447926 0.000284115 0.001007521 0.008149000 -0.008346103 0.001780620 -0.000664385 0.000059582 0.001300568 -0.004077928 0.031192669 0.001023428 0.000225083 0.000576791 -0.002105953 0.013411547 0.000607390 -0.000023330 -0.000216490 0.001516459 -0.010563393 0.000253401 0.000411936 -0.001037936 0.000496250 -0.000179670 0.000168053 -0.000006514 0.000979684 0.000585097 0.000103478 -0.000197254 0.000280739 0.001691530 -0.000657154 -0.000638694 0.000001730 -0.000225170 -0.000313966 -0.000132191 -0.000020651 0.000100670 -0.000055761 0.000244190 0.000381091 0.000592208 -0.000089382 0.000074629 -0.000405753 0.000636005 -0.000031071 0.000130073 -0.000219605 0.000006279 0.000031584 -0.000171990 0.000022780 0.000020532 -0.000018281 -0.000127335 0.000025179 0.000000091 0.000023051 -0.000007964 -0.000032420 0.000038877 -0.000022564 -0.000005386 -0.000235198 0.000206725 -0.000179386 -0.000063603 0.000273466 0.000037549 -0.000083823 -0.000112781 -0.000118416 0.000359331 -0.000118526 0.000062439 0.000115021 0.000048149 -0.000169682 0.000009549 -0.000005312 -0.000006834 -0.000008988 0.000003312 -0.000002255 0.000005080 -0.000001778 -0.000000108 -0.000012648 -0.000012515 0.000010118 0.000010494 0.000009690 -0.000008394 -0.000008616 0.000007361 0.000005625 0.000006846 -0.000009150 0.000000215 0.000001041 0.000004123 -0.000000164 -0.000002971 -0.000005577 0.000010050 0.000010313 0.000003245 -0.000018986 -0.000005483 0.000003261 0.000002704 0.000005320 0.000003057 -0.000006657 -0.000001727 0.000000246 0.000006100 0.000004535 0.000004234 -0.000000643 -0.000004451 -0.000002829 0.000004202 -0.000000598 0.000001671 -0.000000522 -0.000000612 -0.000001333 0.000005306 -0.000000557 0.000001213 -0.000003514 0.000004786 -0.000001243 -0.000003543 -0.000006621 0.000001036 0.000005431 -0.000007666 0.000030110 -0.000011211 0.000007121 -0.000001527 0.000009815 -0.000008158 -0.000008132 -0.000005496 0.000019394 0.000012667 -0.000014302 -0.000012851 -0.000011106 0.000018828 0.000003000 -0.000007566 -0.000000799 -0.000001092 0.000008031 -0.000001216 -0.000000299 0.000000774 -0.000000249 -0.000000022 -0.000001527 -0.000003420 0.000007510 -0.000000944 -0.000010999 0.000000300 -0.000001236 0.000000890 0.000000410 -0.000003396 -0.000000875 0.000006550 0.000011356 0.000001541 -0.000008078 0.000001444 0.000001144 0.000009753 0.000001146 -0.000003522 -0.000043457 -0.000018718 -0.000002819 0.000008129 -0.000018058 -0.000010295 0.000033364 0.000028847 0.000009299 -0.000054371 -0.000037855 0.000065102 0.000008191 0.000024203 -0.000007526 -0.000022512 0.000010200 0.000001772 -0.000000761 -0.000007020 -0.000005957 0.000011530 0.000001167 -0.000010799 0.000010447 -0.000023685 0.000005035 -0.000027404 0.000000013 0.000010862 0.000013888 0.000013687 -0.000004694 -0.000005421 0.000018854 0.000009397 0.000011280 -0.000023493 0.000006557 0.000026376 0.000012031 -0.000001125 -0.000001215 -0.000004141 -0.000003666 0.000017723 0.000096132 0.000053258 0.000018025 -0.000137896 0.000009243 -0.000196171 -0.000030576 -0.000033402 0.000073790 0.000237151 -0.000380557 -0.000224886 -0.000164541 0.000325380 0.000094102 -0.000155109 -0.000107906 -0.000059181 0.000194731 0.000043499 -0.000020937 -0.000029845 -0.000020975 0.000057731 -0.000184532 0.000215160 0.000132569 0.000107821 -0.000236910 -0.000031468 0.000027548 0.000014198 0.000014652 -0.000021131 0.000036045 0.000067386 0.000065303 -0.000010014 0.000015801 -0.000027616 0.000019679 0.000039666 0.000011719 -0.000020151 0.091518758 -0.004410469 0.062074812 -0.029536782 -0.001610660 0.060207421 -0.008242358 0.009118999 -0.033245632 0.332281120 0.002676935 -0.000266531 0.000048199 0.000630573 0.512899438 0.011630439 -0.003779624 -0.002089934 0.001061702 -0.028718352 0.004371644 0.030561439 0.012785578 -0.005833129 0.026776998 0.002115054 0.001321352 0.000555695 -0.000216296 -0.060407561 0.001181350 0.000155350 0.000164265 -0.000093637 -0.049336545 0.000182305 -0.000541694 0.000386183 0.000584551 -0.027955136 -0.000827082 0.000839924 0.000194793 0.000171869 -0.190055606 -0.000350317 0.000705728 0.000274638 -0.000148670 0.127735348 0.000306622 -0.000172512 -0.000533369 0.000249493 -0.038161452 -0.000700447 -0.005332018 -0.002500217 0.000931945 -0.048495095 0.000182550 -0.002478165 -0.000256262 -0.000034366 0.001904964 0.000709081 0.002193221 0.001319394 0.001494251 -0.007736761 0.000834228 0.001212281 -0.000200995 -0.002483655 0.001013904 0.000295896 -0.001426236 -0.001225708 0.001971085 -0.000697842 -0.000815116 -0.001239006 0.000911646 -0.001823153 -0.000669970 0.000003243 -0.000077753 0.000209485 -0.000483755 0.000022371 -0.000109892 -0.001010038 -0.000218151 0.001548542 -0.000327922 -0.000028888 -0.000239756 0.000010933 -0.000029984 0.000221301 0.000070169 0.000042139 -0.000133661 -0.000035042 0.000043399 0.000002046 -0.000082430 0.000062251 0.000109928 -0.000072717 -0.000034217 0.000067754 0.000155950 -0.000119489 0.000006468 0.000464738 0.000331996 -0.000582160 -0.001318630 0.000265360 0.000366795 0.000095540 -0.000400345 -0.000173374 0.000011855 -0.000127132 -0.000089691 0.000213938 0.000167644 0.000021099 0.000005351 0.000019671 -0.000006250 -0.000017776 0.000001427 -0.000008370 -0.000009602 0.000011549 -0.000000843 0.000000241 -0.000010086 -0.000023420 0.000009735 0.000027766 -0.000002200 -0.000008086 -0.000020726 0.000008637 0.000019343 -0.000002134 -0.000002885 0.000001525 0.000003137 0.000006294 -0.000000604 -0.000014772 -0.000015034 0.000017847 0.000025314 -0.000001271 0.000000630 -0.000014336 -0.000001376 0.000011680 -0.000002094 0.000002782 -0.000014044 -0.000003986 0.000006480 -0.000002716 0.000004227 0.000006677 -0.000005919 -0.000009349 0.000000939 -0.000000540 0.000006553 0.000000639 -0.000004112 0.000002696 0.000003223 0.000012196 -0.000003342 -0.000002765 0.000001559 0.000005792 -0.000001657 -0.000005556 -0.000008359 0.000000391 0.000000990 -0.000035812 -0.000014885 0.000032480 0.000000775 0.000011139 0.000013924 -0.000010081 -0.000007299 -0.000003126 0.000018294 0.000041326 -0.000019938 -0.000047370 0.000005545 0.000005223 0.000005203 -0.000004850 -0.000007714 -0.000000718 -0.000000452 0.000005374 0.000000471 -0.000005160 0.000001386 -0.000008402 0.000016882 0.000013498 -0.000012780 0.000003401 -0.000002837 -0.000004912 0.000004805 0.000002973 -0.000001733 -0.000008870 -0.000010839 0.000013794 0.000023112 -0.000002954 -0.000007125 -0.000007804 0.000011047 0.000016120 -0.000003916 -0.000007314 0.000038792 0.000033055 -0.000090779 0.000007105 -0.000039833 -0.000049650 0.000051726 0.000056043 0.000002780 -0.000013085 -0.000107616 0.000009718 0.000075363 -0.000010288 -0.000004021 0.000055281 -0.000002296 -0.000025115 0.000015139 0.000010845 0.000048486 -0.000013710 -0.000087778 0.000016578 0.000031985 0.000049538 -0.000011864 -0.000085753 0.000025042 0.000011255 -0.000032367 -0.000016233 0.000033891 -0.000005960 0.000022850 -0.000061042 -0.000040854 0.000031738 -0.000008021 -0.000001941 0.000012881 -0.000005389 -0.000014002 0.000003365 -0.000118034 -0.000125181 0.000101005 0.000193677 0.000007830 0.000073434 0.000256609 -0.000050585 -0.000270725 0.000004618 0.000289341 0.000816724 -0.000186274 -0.000880084 0.000066755 0.000156387 0.000237801 -0.000147931 -0.000289412 0.000000520 0.000044567 0.000037709 -0.000035295 -0.000051503 -0.000003682 -0.000188959 -0.000383599 0.000171552 0.000415670 -0.000018222 -0.000015781 -0.000060706 0.000005587 0.000054725 -0.000005923 -0.000015892 -0.000176344 -0.000000169 0.000199911 -0.000029475 -0.000024562 -0.000081938 0.000020264 0.000082899 -0.000009650 0.568760177 0.010828142 0.561559879 -0.048203263 -0.026926753 0.065228496 -0.245511739 -0.106476175 0.054842926 0.263272022 -0.107050654 -0.107166951 0.027489221 0.114858187 0.109218078 0.126486945 -0.037447333 0.006097133 -0.005324750 0.002357555 -0.160098448 0.032748004 0.019761809 -0.015198214 0.007022754 0.032988351 -0.059195384 0.012489286 -0.009246059 0.003312416 0.001963966 -0.008085224 -0.001205283 0.001964495 -0.005942488 -0.057260513 0.041783854 -0.000570447 0.007238562 -0.027147120 0.041559240 -0.297849406 -0.000288679 0.003893409 -0.012081232 -0.000009896 0.000863556 -0.000255304 0.000026038 -0.000297497 -0.000046951 -0.000821106 0.000374761 0.000213330 0.000058619 -0.000051425 -0.000815864 0.000030636 0.000122380 0.000043304 -0.000132514 0.000045469 0.000116032 0.000092008 -0.000152546 -0.000080036 -0.000375326 0.000003616 0.000086748 0.000220868 -0.000366544 0.000153774 -0.000056699 0.000136979 -0.000230087 -0.000131506 0.000013993 0.000080161 0.000049800 -0.000059246 0.000018564 -0.000062489 0.000047267 0.000016913 -0.000015759 0.000086153 -0.000006938 -0.000073426 -0.000044587 0.000038278 -0.000035858 0.000206158 0.000118018 0.000089210 -0.000099531 -0.000022975 0.000003650 0.000219792 0.000089412 -0.000021208 0.000015132 0.000071708 -0.000132008 -0.000042876 0.000021488 0.000015001 0.000004131 0.000008843 -0.000011679 0.000000575 0.000011239 0.000006849 -0.000005854 -0.000004918 -0.000000354 -0.000012560 -0.000003222 -0.000010999 0.000009107 0.000002889 -0.000006447 -0.000000181 -0.000009358 0.000006358 -0.000000237 0.000001005 -0.000000404 -0.000001027 -0.000004007 0.000002525 0.000007719 0.000004163 -0.000011393 -0.000009308 0.000007636 -0.000012962 -0.000004824 -0.000002323 0.000010685 -0.000001178 -0.000010615 -0.000003150 -0.000003914 0.000016702 -0.000005688 -0.000001194 0.000000014 0.000005448 -0.000001030 -0.000002472 -0.000000740 0.000000933 0.000000968 -0.000003541 0.000000394 -0.000000869 -0.000001564 0.000005913 -0.000007306 0.000004615 -0.000003093 0.000000752 0.000001411 0.000008988 -0.000005692 -0.000034415 -0.000007345 0.000007865 0.000014422 -0.000006976 -0.000009802 -0.000012148 0.000016034 0.000006702 -0.000007470 0.000008142 0.000003781 0.000016119 -0.000005357 -0.000005311 -0.000000340 -0.000002327 0.000002476 0.000003821 -0.000001224 0.000001174 0.000000924 -0.000000398 -0.000001305 0.000000523 0.000016806 0.000007833 -0.000009988 -0.000012268 0.000005347 0.000004256 0.000000876 -0.000003291 0.000000554 -0.000000666 0.000001398 -0.000000485 -0.000005930 -0.000006359 0.000009040 0.000000660 -0.000003578 -0.000003887 -0.000001903 0.000004495 0.000024975 0.000025197 -0.000022178 0.000004446 -0.000009239 0.000019257 0.000019646 -0.000035749 -0.000013715 0.000011118 -0.000069151 -0.000010928 -0.000008051 0.000042139 -0.000007080 0.000008503 0.000013956 -0.000007716 -0.000019339 0.000011204 0.000016011 0.000012077 0.000006063 -0.000018497 0.000006389 -0.000012833 0.000020086 0.000012057 0.000011559 -0.000019850 -0.000020730 -0.000016568 0.000020373 0.000011050 -0.000003509 -0.000045676 -0.000024050 0.000016731 0.000038595 -0.000013038 0.000012699 0.000005193 -0.000001695 -0.000011110 0.000007451 0.000012729 0.000014416 -0.000067895 -0.000063219 0.000040793 0.000094913 0.000025185 0.000042842 -0.000040580 -0.000019608 0.000201403 0.000038830 0.000193630 -0.000090139 -0.000022984 0.000007032 -0.000025549 0.000112224 0.000043114 -0.000035187 -0.000003031 -0.000012942 0.000031804 0.000014185 -0.000000186 -0.000072611 0.000021631 -0.000152406 0.000016315 0.000019413 -0.000013836 -0.000000753 -0.000015415 0.000013613 -0.000002204 -0.000041943 -0.000049357 0.000023454 0.000017604 0.000018070 -0.000012880 -0.000008238 -0.000011222 0.000008546 -0.000001480 0.206527872 -0.136058043 0.167955975 0.039490645 -0.036566922 0.056555578 0.000243258 0.001642651 -0.023033210 0.050272674 -0.001172009 -0.002754217 0.020601283 0.000786975 0.054552315 0.000220933 -0.000136529 -0.003422448 0.005208555 -0.047910841 0.000209162 -0.000132982 -0.000244300 -0.000526000 -0.000301119 -0.000184502 0.000093422 0.000143936 0.000416937 0.000250717 0.000182572 -0.000128131 -0.000001416 0.000463098 0.000260674 0.000075852 0.000001466 0.000008560 -0.000020053 0.000072876 0.000061664 0.000005816 0.000051829 0.000204600 0.000063976 0.000336696 -0.000172529 0.000004153 -0.000021874 0.000136555 0.000020718 0.000025077 0.000000067 -0.000013835 0.000029393 -0.000045004 0.000027998 0.000018434 0.000021482 0.000012757 -0.000032655 -0.000009828 -0.000015221 -0.000007435 -0.000047930 -0.000029421 0.000067557 -0.000067375 -0.000141625 -0.000087840 -0.000147631 0.000128086 0.000006771 -0.000025917 -0.000017880 0.000124243 -0.000083329 -0.000011651 -0.000015253 0.000005711 -0.000010615 0.000009583 0.000003467 -0.000005663 -0.000005578 0.000011785 -0.000006252 -0.000004516 0.000000068 -0.000003492 0.000014449 -0.000012011 -0.000001639 0.000005778 0.000005915 0.000012746 -0.000010597 -0.000002838 0.000004754 0.000004251 -0.000000846 0.000000894 0.000003152 -0.000000786 0.000000856 0.000011566 -0.000007969 0.000003758 0.000000179 0.000001854 0.000005361 -0.000004830 -0.000002265 0.000004549 0.000004369 0.000007000 -0.000010239 -0.000006101 0.000006474 0.000004299 -0.000005361 0.000006130 0.000000267 -0.000001422 -0.000000927 -0.000002026 0.000003534 0.000001406 -0.000002476 -0.000000885 -0.000010471 0.000010168 0.000006183 -0.000003795 -0.000000831 0.000001581 -0.000002807 -0.000005381 0.000002088 -0.000000135 0.000011799 0.000000958 0.000000700 0.000005665 0.000010547 -0.000013527 0.000010692 0.000001251 0.000002511 0.000001552 -0.000021585 0.000016470 0.000001080 -0.000008167 -0.000007656 -0.000004692 0.000000826 -0.000001058 0.000000561 -0.000000603 -0.000000425 0.000000624 -0.000000508 -0.000001219 -0.000001536 0.000000291 -0.000002831 0.000000368 -0.000004593 -0.000005131 0.000004119 -0.000004578 -0.000001807 0.000001619 -0.000000079 0.000003517 -0.000001818 0.000004678 0.000001346 0.000002253 0.000003071 -0.000002784 0.000001243 0.000002685 0.000001265 0.000017710 -0.000024266 -0.000012522 -0.000002746 -0.000008302 0.000040749 -0.000028583 -0.000004288 0.000002781 -0.000000820 0.000041959 -0.000020488 -0.000005762 0.000022672 0.000023639 -0.000005917 0.000007504 0.000004287 -0.000013190 -0.000007424 -0.000015497 0.000014676 0.000003489 -0.000013736 -0.000014226 -0.000001625 0.000004610 -0.000006717 -0.000012589 -0.000006703 -0.000004697 0.000010154 0.000003179 0.000006574 0.000005657 0.000003028 0.000001447 -0.000004281 0.000015622 0.000018107 -0.000005260 0.000006019 0.000003695 -0.000005378 -0.000003263 0.000075496 -0.000038025 0.000015618 0.000007847 0.000015711 -0.000117189 0.000059211 -0.000003849 -0.000046183 -0.000046569 -0.000357145 0.000223707 0.000016032 -0.000125073 -0.000135976 -0.000132849 0.000083019 -0.000008484 -0.000021569 -0.000034025 -0.000031951 0.000020540 0.000005215 0.000002043 -0.000003808 0.000214092 -0.000142741 -0.000007858 0.000048202 0.000063480 0.000028197 -0.000020442 -0.000005202 0.000009979 0.000009970 0.000016758 0.000005388 0.000011783 0.000031605 0.000023054 0.000024273 -0.000016732 -0.000003448 0.000011437 0.000011267 0.320696188 0.000727594 0.569498770 -0.000380272 -0.256599376 0.244038625 -0.000401802 0.064667027 -0.073069124 0.076783326 0.000108353 -0.014578078 0.045773164 -0.018876341 0.633634743 -0.000361174 0.051936699 -0.037295266 0.019566096 -0.055173718 0.000076388 -0.000825413 0.009516990 0.015624865 -0.020083922 0.000051613 0.001653206 0.001170068 -0.000127699 -0.305320072 0.000012572 -0.000571426 -0.004883643 0.005008203 0.061426515 -0.000003235 -0.002169111 0.006997251 0.003109361 -0.052653226 0.000246322 -0.095811748 -0.003149873 0.018230838 -0.005832408 0.000081906 0.003602445 0.027481770 -0.004458487 -0.040718139 -0.000078035 0.014393469 -0.001671102 0.021841937 0.025879103 0.000001617 -0.000165779 0.000285013 0.000025276 0.000137562 -0.000000488 0.000638637 -0.000387273 0.000387208 -0.000129209 -0.000008474 0.000375428 -0.000422551 0.000106011 -0.000511364 -0.000005459 0.000289825 -0.000315242 0.000062567 -0.000207272 -0.000005743 -0.000210663 0.000028767 -0.000126650 0.000035403 -0.000020481 0.000082204 -0.000295764 -0.000012993 -0.000110050 0.000000629 0.000193264 -0.000064738 -0.000004385 0.000021855 0.000007357 0.000128816 0.000001645 -0.000048989 -0.000014288 0.000006176 -0.000011148 0.000070135 0.000039230 0.000038602 0.000000196 0.000147063 -0.000143234 0.000164008 0.000011842 -0.000005631 -0.000309446 0.000200968 -0.000139218 0.000026430 0.000010591 0.000307949 -0.000030607 0.000133899 0.000052459 -0.000002510 0.001573057 -0.000601868 0.000915511 -0.001857171 0.000016507 -0.001621520 0.000568442 -0.000634388 -0.000042557 0.000016908 0.000073485 0.000447976 0.000093552 -0.000284270 0.000004886 -0.000300389 0.000200091 -0.000272310 -0.000065044 0.000001485 0.000121747 -0.000093159 0.000134310 0.000099273 -0.000004884 -0.000405996 -0.000012868 -0.000080025 -0.000143560 -0.000000291 -0.000141383 -0.000026049 -0.000137394 -0.000028707 -0.000018925 -0.000403642 0.000009764 -0.000328937 -0.000119884 -0.000007897 -0.000783121 -0.000050804 -0.000520073 -0.000074376 0.000009911 0.001270966 0.001883183 0.001160449 0.000922113 -0.000040276 0.000562541 -0.003607415 -0.000540429 -0.003011144 -0.000008917 -0.000140494 -0.000645656 0.000307806 -0.006654898 -0.000000056 -0.000318002 0.000098040 0.001411378 0.000044117 0.000009679 0.001085739 -0.000853641 0.000706921 0.000554664 0.000029277 0.004159825 -0.000463649 0.001643784 -0.000418243 0.000001715 0.000276699 -0.000161615 0.000035502 0.000204829 0.000019639 0.000331177 0.000062435 -0.000790621 -0.000413921 -0.000000712 -0.000169200 0.000126053 0.000033088 0.000468864 -0.000123223 -0.002277302 -0.005092393 -0.001070840 -0.017269662 0.000105450 -0.006481912 0.005252975 -0.001222747 -0.004294025 0.000276778 -0.023635948 0.018028628 -0.011193303 -0.007940338 0.000144839 -0.003526435 0.006717306 -0.002931046 -0.001733755 0.000011688 -0.000988277 0.002714375 -0.001360915 0.003849477 -0.000159750 0.009902490 -0.009298783 0.005639460 0.011112100 -0.000013611 0.002208994 -0.001171107 0.001288845 0.001513071 -0.000052338 0.003572984 -0.002102266 0.001244879 0.002565224 -0.000011658 0.002846212 -0.001405089 0.002073080 0.002511791 0.493085498 -0.263533033 0.292981120 0.073217612 -0.050210624 0.324350832 -0.056364497 0.029378994 -0.073784116 0.064425435 0.035152512 -0.042449690 0.051577661 -0.028308231 0.044432198 -0.029393282 0.004638002 0.001110224 0.000120557 0.001674253 -0.037851834 0.021084541 -0.001432268 0.000000995 0.000978987 0.026984910 -0.000647189 0.000885226 -0.001686518 -0.001708950 0.000441226 0.000313157 0.000019591 -0.000009139 0.000025814 -0.000680595 -0.000437879 -0.000001395 -0.000005357 0.000008272 -0.000873737 -0.000581511 -0.000012784 -0.000031077 -0.000112203 -0.000607267 -0.000399476 -0.000001750 0.000002697 -0.000030188 0.000114595 0.000072748 -0.000001619 0.000009693 0.000006460 -0.000485392 -0.000334993 -0.000014222 0.000017538 -0.000003578 -0.000249406 -0.000204123 0.000016225 0.000023170 0.000016423 -0.000060238 -0.000041081 0.000010397 0.000005390 -0.000006944 0.000097371 0.000071726 0.000008179 -0.000000198 0.000008572 -0.000261137 -0.000088867 0.000006417 0.000006167 0.000018787 0.000368067 0.000175696 -0.000005301 -0.000011072 -0.000012128 -0.000104965 -0.000018446 0.000018435 -0.000002110 0.000019623 -0.002454197 -0.001752420 0.000031691 -0.000137099 -0.000369181 0.001053911 0.000799660 -0.000010991 -0.000028829 -0.000164607 0.001347911 0.000912545 0.000026193 -0.000165252 -0.000136654 0.000590567 0.000341213 -0.000000491 -0.000036984 -0.000042342 -0.000216823 -0.000136296 -0.000001256 0.000014913 0.000035643 0.000407980 0.000404509 -0.000067397 -0.000074391 -0.000073317 0.000189607 0.000058182 -0.000015167 -0.000014747 -0.000026907 0.000143622 -0.000103721 -0.000035859 -0.000011049 -0.000059788 0.000456610 0.000053777 -0.000036734 -0.000014983 -0.000077833 -0.002022675 -0.003284624 0.000160412 0.000281917 0.000664342 -0.004304110 -0.006201152 -0.000565124 -0.000419410 -0.000766205 -0.005569921 -0.008752018 0.000087087 -0.000454452 -0.001086010 -0.000668085 0.000027685 0.000105148 0.000042084 0.000265813 -0.002050884 -0.000778074 -0.000022303 -0.000046702 0.000125453 -0.003407873 -0.001270346 0.000247940 0.000042710 0.000432405 -0.000933126 -0.001006022 0.000110598 0.000160905 0.000144140 -0.000665482 -0.000475263 0.000151806 0.000129469 -0.000015415 0.000243983 0.000213297 0.000038733 0.000060591 0.000043793 -0.013503566 -0.006308333 -0.001949090 -0.004098320 -0.007851989 0.002648772 0.020935694 0.001457077 -0.001446495 -0.000812643 0.063192070 0.031351715 0.000702429 -0.007067926 -0.006765168 0.022604658 0.013288394 0.001422137 -0.000758674 0.000861534 0.011507479 -0.001189870 0.000106781 -0.000146457 0.000327685 -0.024910784 -0.020845369 0.000094960 0.003225753 0.002770220 -0.005129737 -0.002257668 0.000248577 -0.000279522 0.000298311 -0.017677355 -0.009248264 -0.000632201 0.000339478 0.000580113 -0.014096805 -0.005387881 0.000227803 -0.000128374 0.000817349 0.360552906 0.033553326 0.344371000 -0.050159913 -0.209257159 0.250465094 0.000155693 0.000209230 -0.000155047 0.501931957 -0.000129754 -0.000322247 0.000202667 0.016431737 0.572597959 -0.000341047 -0.000481658 0.000277031 -0.022735133 0.008210664 -0.000198920 -0.000291835 0.000176531 -0.052876992 -0.011276527 -0.000052282 -0.000008560 0.000022799 -0.011620748 -0.075366510 -0.000253100 -0.000297423 0.000195317 -0.033108837 -0.076516578 0.000032117 0.000001101 -0.000043572 -0.165541120 -0.079134853 0.000073402 0.000059649 -0.000085590 -0.079533790 -0.102576497 0.000045879 0.000049849 -0.000019137 0.104235393 0.068829671 -0.000070343 -0.000130355 0.000123532 -0.054161317 0.040294123 0.000043477 0.000141989 -0.000088442 0.041664821 -0.306876305 0.000131560 0.000075269 -0.000090289 0.002360514 -0.009782535 -0.000492997 -0.000940382 0.000494226 -0.197637542 0.026591743 -0.000053115 0.000325830 0.000248082 0.026107612 -0.089013700 0.000494973 0.000572873 -0.000483429 -0.035567595 0.009397027 0.000164681 0.000259691 -0.000203730 -0.020259934 -0.013192566 -0.000066843 -0.000081723 0.000100717 0.006404369 0.003664525 -0.000202846 -0.000117483 0.000196260 -0.009496666 -0.006005100 0.000013837 0.000049276 -0.000009023 -0.005830935 0.032258618 -0.000167363 -0.000050313 0.000070132 -0.000089609 -0.005265972 -0.000174917 -0.000014515 0.000163395 -0.001911770 0.011101893 0.000267996 0.000252159 0.000436547 -0.007135431 -0.010682693 -0.001114803 -0.001166044 0.000597913 0.000008452 0.001873048 -0.001675706 -0.001503429 0.001517428 -0.005340372 -0.002430191 -0.000090539 -0.000115235 0.000301461 0.000518162 -0.001153700 0.000414964 0.000110607 0.000464449 0.000073782 0.000874823 0.000935929 -0.000053395 -0.000161764 0.000813050 -0.000786665 0.000098171 -0.000000580 -0.000070645 0.001147803 0.000513241 0.000222875 0.000154958 -0.000227388 0.000354517 0.000139776 0.000048063 0.000065555 -0.000017956 0.001271310 0.000345209 -0.007269419 -0.004678310 0.005666930 -0.001086979 0.000223526 0.002633280 0.002469376 -0.002751436 -0.000288183 -0.000479760 0.018070257 0.016232745 -0.014392813 -0.000422719 -0.001114986 0.008155338 0.004757102 -0.007605800 0.000659466 -0.000367273 0.005499621 0.004576365 -0.004450245 0.000377187 0.000297922 -0.007633372 -0.005871458 0.007383942 -0.000570412 -0.000551526 -0.000606254 -0.000653848 0.000603947 0.000028303 -0.000457061 -0.001886297 -0.001526480 0.001544507 -0.000190139 0.000259666 -0.001818987 -0.001523333 0.001663037 -0.000005411 -0.000361520 0.570370090 -0.032175799 0.055663981 -0.076688475 0.011481219 0.073686867 -0.279237782 0.038740247 0.083641641 0.298746860 0.103053505 0.003690864 0.003430503 -0.003453737 0.181698804 0.068416690 0.008653972 0.005056007 -0.006326519 0.085225406 -0.139781157 0.019442533 0.014376641 -0.014796931 -0.111798212 0.002189273 -0.000367023 -0.004515801 0.000408380 0.003986861 -0.008696873 0.000904364 -0.006356435 0.000825013 0.002836035 -0.050158665 0.005026794 -0.029674286 0.001283816 -0.004423655 -0.035646576 -0.002357782 0.000903866 0.000830233 -0.021340824 0.009297895 -0.011453206 0.001577703 -0.002996003 -0.015396704 -0.092415580 -0.030365307 0.008354065 -0.007479370 0.019167088 0.017565818 0.001051485 -0.000391886 -0.000266941 -0.005086785 -0.005597848 -0.000605161 0.000017856 -0.000082011 0.002282523 0.007034029 0.000498425 -0.000414417 0.000712818 -0.002846344 0.001191788 0.001207150 -0.000501251 -0.000047341 0.001211123 -0.000414091 0.000302736 0.000363442 0.000628003 0.000463527 -0.000134779 0.000484675 0.000310613 0.000143523 0.000236874 -0.034473516 -0.006678235 0.001087830 -0.003897487 0.001445959 0.005525156 0.002051940 0.000114212 0.001059726 -0.000156860 -0.013944623 -0.000489056 0.000043437 0.000376281 0.001923139 -0.000036914 0.000017999 0.000099057 0.000211085 -0.000000888 0.000919200 0.000101694 0.000432612 0.000175441 0.000033364 0.001327005 0.000429612 0.000329558 0.000266013 -0.000071823 -0.000465205 0.000148843 0.000010521 0.000180456 0.000145018 0.000317399 0.000255878 -0.000028557 0.000006868 0.000153437 0.000917666 -0.000162289 -0.000318968 0.000429425 -0.001183119 0.003340252 0.001350077 0.000171496 0.001444321 -0.000689420 -0.001680870 -0.000288783 0.000634435 -0.000217916 0.000201378 -0.005199552 -0.000988935 -0.000004889 0.000122001 0.000923573 -0.000440809 -0.000265838 -0.000059931 -0.000584985 0.000421385 0.000061588 -0.000029555 -0.000111841 -0.000050100 0.000096712 0.002156170 0.000249004 0.000049325 0.000141411 -0.001201510 -0.000874614 -0.000353182 -0.000116547 -0.000285269 0.000006365 0.000692726 0.000199647 -0.000019054 0.000139449 0.000050983 -0.000214723 -0.000152179 -0.000041131 -0.000203869 -0.000082721 0.103322540 -0.075492379 0.144865906 -0.021414091 -0.002446734 0.058971990 -0.011147134 -0.001542735 -0.047651546 0.327197059 0.019012701 0.001195330 -0.000199258 0.009672386 0.046998502 0.005889118 -0.007360555 -0.004933170 0.001059921 -0.001090321 0.003983050 -0.005809670 0.032793926 -0.006246107 0.010144648 -0.005041316 0.006599581 0.000644983 -0.000591643 -0.000057694 0.001670961 -0.002348049 0.001076237 0.000209274 0.000329482 0.000793773 0.000180291 -0.000152358 0.000667802 -0.000646158 0.000554479 0.000055807 0.000746512 -0.000107133 0.000183985 -0.000236972 0.000714819 -0.006013816 0.001582151 -0.002193546 0.000643517 -0.000252612 0.001344324 0.001270529 0.000446687 -0.000769232 0.000238086 -0.002514925 0.000245789 0.000058320 -0.000168986 -0.000659638 0.001322644 -0.000757552 0.000348808 -0.000067304 -0.000682201 0.000591835 0.000953094 0.001490268 -0.000110998 0.001665910 0.001292777 -0.000343134 0.000607355 -0.000074347 0.000096208 0.000038616 0.000214773 -0.000240685 -0.000085927 -0.000072402 -0.000740184 0.000154820 -0.000543865 0.000131006 -0.000062318 -0.000559249 0.000629463 -0.000166038 -0.000253634 0.000313172 -0.000010128 0.000033266 -0.000001338 0.000064689 0.000403085 -0.000144953 -0.000047746 -0.000001498 -0.000162173 0.000037858 -0.000031086 -0.000032431 -0.000030354 0.000002638 -0.000322107 -0.000204532 -0.000027689 -0.000380582 -0.000010661 -0.000007782 -0.000021863 0.000217030 -0.000032770 -0.000104059 0.000052849 0.000709085 -0.000583578 0.000211297 0.000202237 -0.000021411 0.000117130 -0.000024139 0.000254363 0.000040740 0.000014033 -0.000177248 0.000026125 0.000008882 -0.000021211 -0.000223561 -0.000286735 0.000340471 -0.000244719 -0.000008163 0.000068550 0.000155595 -0.000090291 0.000104471 -0.000009724 -0.000042165 -0.000114461 0.000015997 -0.000105701 0.000010104 0.000035481 0.000102838 -0.000040945 0.000073019 0.535292393 0.014696456 0.585714721 -0.040383544 -0.023029128 0.505628078 -0.164490448 -0.078296625 0.107279253 0.179946091 -0.078718994 -0.105352195 0.072207562 0.083908269 0.107082786 0.106135468 0.071039696 -0.140448944 -0.112915274 -0.075576763 -0.056089417 0.037043354 0.003463851 0.004602477 -0.020305123 0.038557800 -0.293887821 -0.012704509 0.003240724 -0.012667379 0.003563952 -0.012674215 -0.050035821 -0.004525875 0.018498732 -0.082788348 -0.002964365 -0.006784143 0.004151470 0.007407661 -0.008797364 -0.093914818 -0.038404760 0.002550169 0.005191774 -0.018352555 -0.034661067 -0.185524500 -0.002361476 -0.006821011 0.000362321 -0.005920495 -0.000754400 0.000208872 0.000710769 0.001508779 -0.008320432 -0.001087312 0.000042147 0.000586845 0.004764383 -0.031937110 -0.004090093 0.000488744 0.000248457 0.003167936 0.003692938 -0.005502618 -0.000127435 -0.000412850 0.007014335 0.005164125 -0.008489696 -0.000175550 0.000489724 0.018907596 0.015461941 -0.020131415 -0.001585791 -0.002408523 -0.007928433 -0.001598414 -0.017834243 0.000252679 -0.001278392 -0.011145693 0.000311418 -0.003107725 0.000718165 0.000236027 -0.027664029 0.003911129 -0.010998938 -0.002313845 0.001185303 0.001512116 -0.000037285 0.005481197 -0.001087450 0.000680560 0.001112633 0.000596624 0.001490529 -0.000051940 -0.000699269 -0.001495103 0.000691090 -0.004020321 -0.000169999 -0.001239265 -0.001163558 0.001372974 0.001263230 -0.000073100 0.000046842 0.001557896 -0.001024799 -0.000173386 -0.000248395 0.000070164 0.000042891 0.000471473 0.001053916 0.000310680 0.000162453 0.155732698 -0.002557182 0.059404801 -0.001424248 -0.044213496 0.316490422 0.001542941 0.000519452 0.017800689 0.054173294 0.018650936 0.000493089 0.000355966 0.003954148 0.506948839 0.014980256 -0.005900866 -0.009443530 -0.032908598 0.006210949 -0.022216821 0.000025640 -0.001066149 -0.002109966 -0.056020075 0.000119193 0.000496716 -0.000050493 -0.001500246 -0.059913618 -0.000136572 0.000037315 0.001015929 -0.001438876 0.050124445 0.001292225 -0.001220425 -0.002132243 -0.005646105 0.006170662 -0.001418831 0.000041585 0.000151342 0.000578165 -0.142129311 -0.002675147 0.000682826 0.000969546 0.000516881 -0.076639513 -0.005678702 0.000030762 -0.000317503 0.001294064 0.100086763 0.005426443 0.000875722 0.002253740 0.002045714 -0.163125445 0.001412213 -0.001204130 -0.000184890 -0.001185030 0.032614759 -0.003127203 -0.000146130 -0.000285193 0.000559823 -0.032222287 -0.001539353 -0.000443116 -0.001429263 -0.000524622 -0.048222355 -0.001151790 0.000459159 0.000481759 0.000094832 -0.005624869 0.004147957 0.000202466 0.000515186 0.000477196 0.011823009 -0.000268556 0.000062233 -0.000589176 -0.000208402 -0.005104300 -0.000320338 0.000226405 0.000183615 0.000487176 -0.000742479 0.000304406 0.000029735 -0.000515869 -0.000294398 -0.002023910 0.581875168 -0.037195115 0.508604743 0.053010154 0.007774946 0.064076642 -0.298909799 -0.014466995 -0.054999843 0.319690882 -0.014103014 -0.045321683 0.000295706 0.018111499 0.055500690 -0.072866985 0.096307935 0.004497976 0.003239991 -0.005020144 -0.109167575 0.080183712 -0.019293860 -0.011135241 0.019562508 0.079688432 -0.152639123 -0.001866187 -0.001479819 0.001645821 0.017019203 -0.030882937 -0.004785571 0.003399023 -0.002136359 -0.089978754 0.020836129 0.032087888 -0.003225960 0.011085219 0.025535253 -0.085051827 -0.000597776 0.004125392 0.000562269 -0.011287271 0.029433744 0.001582315 -0.000836382 0.001299611 0.017051426 -0.003594549 -0.004039666 0.001042289 -0.000727172 -0.006489889 0.009193272 -0.000474348 -0.000653112 -0.000458495 0.022500273 -0.014290335 -0.004428942 0.000962508 -0.002770580 0.000529429 0.005454190 0.000826611 -0.000213657 -0.000267166 0.012757920 0.000368655 -0.002037714 -0.000963338 -0.001010949 0.153697331 0.080779949 0.111086194 -0.106949224 -0.085197808 0.170566671 -0.013266917 0.006250949 -0.006470807 0.705915566 -0.019121009 0.000876912 -0.005581873 0.074561574 0.423234304 0.028094336 -0.003128393 0.005939499 -0.171580803 -0.279442620 -0.008528636 0.000552006 -0.001743422 -0.425837189 -0.138448883 0.003523240 0.001824900 0.000923319 -0.126109217 -0.147621679 -0.003714136 0.000304389 0.000502036 0.258936498 0.136212511 0.000701396 -0.000144645 0.000312525 -0.068095667 0.035880345 0.000953247 0.000200980 -0.000273968 0.037587293 -0.164995915 -0.000694768 -0.000575033 0.000391702 -0.031928292 0.097639322 0.451903533 0.232843311 0.470667081 0.115542638 0.151240841 0.122260353 -0.266540187 -0.301623209 -0.137534907 0.303028737 -0.021743486 0.007096906 -0.027397909 0.025775139 0.070049634 0.109252558 -0.013319642 -0.001654849 0.018059879 -0.028649876 -0.114163824 0.019732149 0.027567786 -0.020760372 0.015136164 0.177824396 -0.122209302 0.138396032</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000501848 0.000031227 0.000040819 0.000101406 0.000129765 0.000177784 0.000209692 0.000234741 0.000386609 0.000399722 0.000531103 0.000680441 0.000806713 0.001048710 0.001356426 0.001897817 0.002145361 0.002594222 0.002642298 0.002697728 0.003259863 0.003734906 0.004584615 0.004821603 0.005115994 0.006133420 0.007399813 0.009293339 0.010738070 0.012011213 0.013146589 0.018025775 0.021182910 0.021898552 0.022100825 0.023606125 0.024155337 0.024287235 0.028081603 0.028258652 0.029509341 0.030844965 0.031062496 0.031690449 0.033638640 0.034429060 0.036829717 0.038053575 0.039656184 0.041023047 0.043174637 0.043949731 0.044029212 0.047620587 0.048057811 0.048513783 0.049790598 0.050331749 0.051267062 0.052384697 0.054422702 0.055566729 0.057696038 0.059444540 0.061226107 0.063376635 0.064873381 0.065161472 0.066937393 0.067823835 0.068419775 0.069310383 0.070781138 0.072136665 0.073323917 0.074761647 0.074842013 0.075577604 0.076177589 0.076348588 0.077791294 0.078911459 0.081421537 0.082085199 0.082428142 0.082742607 0.083455581 0.083778769 0.083884260 0.084018827 0.084117020 0.084311761 0.085159877 0.085303305 0.085837918 0.086640974 0.087416378 0.109629145 0.115548042 0.305745215 0.328608039 0.338481867 0.341699667 0.342551003 0.342828782 0.342908615 0.344849528 0.345690880 0.346101797 0.348381813 0.350323823 0.357740915 0.357955937 0.359142857 0.359444076 0.359648143 0.360502763 0.360676565 0.362051496 0.363678697 0.364617742 0.365292429 0.366474433 0.367503945 0.373919347 0.380145175</array>
            </module>
         </module>
      </module>
   </module>
</module>
