<?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:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:o="http://www.iochem-bd.org/dictionary/orca/"
        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="orca.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Orca</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.0">5.0.3</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string" id="copy.1">RELEASE</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <module cmlx:templateRef="basis">
                  <list cmlx:templateRef="group">
                     <array dataType="xsd:integer" dictRef="o:group" size="4">1 2 3 4</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="4">11s6p2d1f 11s6p2d1f 14s9p3d1f 5s2p1d</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="4">5s3p2d1f 5s3p2d1f 5s5p3d1f 3s2p1d</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="28">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="28">C O C O C C C O P O O C O C H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="28">1 2 1 2 1 1 1 2 3 2 2 1 2 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4</array>
                  </list>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-4.928578"
                        y3="0.351345"
                        z3="0.11657"/>
                  <atom elementType="O"
                        id="a2"
                        x3="-3.478794"
                        y3="0.485735"
                        z3="0.136178"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-2.685573"
                        y3="-0.503997"
                        z3="-0.19837"/>
                  <atom elementType="O"
                        id="a4"
                        x3="-3.161063"
                        y3="-1.677046"
                        z3="-0.566437"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-1.290765"
                        y3="-0.379787"
                        z3="-0.183708"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-0.59731"
                        y3="0.771901"
                        z3="0.15269"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.197847"
                        y3="2.082497"
                        z3="0.555956"/>
                  <atom elementType="O"
                        id="a8"
                        x3="0.728969"
                        y3="0.815289"
                        z3="0.146488"/>
                  <atom elementType="P"
                        id="a9"
                        x3="1.848083"
                        y3="-0.442784"
                        z3="-0.20014"/>
                  <atom elementType="O"
                        id="a10"
                        x3="1.343907"
                        y3="-1.323379"
                        z3="-1.266989"/>
                  <atom elementType="O"
                        id="a11"
                        x3="3.134479"
                        y3="0.441282"
                        z3="-0.437114"/>
                  <atom elementType="C"
                        id="a12"
                        x3="3.421636"
                        y3="1.045827"
                        z3="-1.736039"/>
                  <atom elementType="O"
                        id="a13"
                        x3="2.057951"
                        y3="-1.095638"
                        z3="1.217778"/>
                  <atom elementType="C"
                        id="a14"
                        x3="2.748073"
                        y3="-0.443871"
                        z3="2.327258"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-5.300105"
                        y3="1.322854"
                        z3="0.435384"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-5.247244"
                        y3="-0.414583"
                        z3="0.829881"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-5.275544"
                        y3="0.14223"
                        z3="-0.899733"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-0.748454"
                        y3="-1.260728"
                        z3="-0.503979"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-1.804064"
                        y3="1.961199"
                        z3="1.459123"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-1.865804"
                        y3="2.454679"
                        z3="-0.226519"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-0.406111"
                        y3="2.808004"
                        z3="0.74083"/>
                  <atom elementType="H"
                        id="a22"
                        x3="4.457716"
                        y3="1.374623"
                        z3="-1.678012"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.760057"
                        y3="1.901375"
                        z3="-1.890947"/>
                  <atom elementType="H"
                        id="a24"
                        x3="3.29592"
                        y3="0.305714"
                        z3="-2.528281"/>
                  <atom elementType="H"
                        id="a25"
                        x3="2.76494"
                        y3="-1.183402"
                        z3="3.125891"/>
                  <atom elementType="H"
                        id="a26"
                        x3="2.192365"
                        y3="0.443668"
                        z3="2.639597"/>
                  <atom elementType="H"
                        id="a27"
                        x3="3.761921"
                        y3="-0.177627"
                        z3="2.025743"/>
                  <atom elementType="H"
                        id="a28"
                        x3="-4.128259"
                        y3="-1.749687"
                        z3="-0.572242"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a16" order="S"/>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a28" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a22" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a26" order="S"/>
                  <bond atomRefs2="a14 a27" order="S"/>
                  <bond atomRefs2="a14 a25" order="S"/>
               </bondArray>
               <formula concise="C7H14O6P">
                  <atomArray count="7 14 6 1" elementType="C H O P"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">211.04506100000003</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-D3</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-D3</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalHFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.195728</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalLDAC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Perturbative correction</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Amount of maximum screened exact exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.804272</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Range separation parameter mu (erf(mu*r12)/r12)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.250000</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">842</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">RIJ-COSX (HFX calculated with COS-X))</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Mevinphos_0b_OptFreq</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">118</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">641</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1130.7689250171 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">16</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">150</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.003300</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-11 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-12 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolG</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5.000e-07</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">6.081e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.071 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.038 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.110 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-D3</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-D3</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalHFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.195728</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalLDAC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Perturbative correction</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Amount of maximum screened exact exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.804272</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Range separation parameter mu (erf(mu*r12)/r12)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.250000</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">842</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">RIJ-COSX (HFX calculated with COS-X))</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Mevinphos_0b_OptFreq</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">118</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">641</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1143.8245453111 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">16</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">150</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.003300</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-11 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-12 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolG</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5.000e-07</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5.499e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.060 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.036 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.097 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <molecule id="initial">
                        <atomArray>
                           <atom elementType="C"
                                 id="a1"
                                 x3="-4.928578"
                                 y3="0.351345"
                                 z3="0.11657">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-3.478794"
                                 y3="0.485735"
                                 z3="0.136178">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="-2.685573"
                                 y3="-0.503997"
                                 z3="-0.19837">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-3.161063"
                                 y3="-1.677046"
                                 z3="-0.566437">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-1.290765"
                                 y3="-0.379787"
                                 z3="-0.183708">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-0.59731"
                                 y3="0.771901"
                                 z3="0.15269">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.197847"
                                 y3="2.082497"
                                 z3="0.555956">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.728969"
                                 y3="0.815289"
                                 z3="0.146488">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="P"
                                 id="a9"
                                 x3="1.848083"
                                 y3="-0.442784"
                                 z3="-0.20014">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">15</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a10"
                                 x3="1.343907"
                                 y3="-1.323379"
                                 z3="-1.266989">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a11"
                                 x3="3.134479"
                                 y3="0.441282"
                                 z3="-0.437114">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="3.421636"
                                 y3="1.045827"
                                 z3="-1.736039">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a13"
                                 x3="2.057951"
                                 y3="-1.095638"
                                 z3="1.217778">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="2.748073"
                                 y3="-0.443871"
                                 z3="2.327258">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-5.300105"
                                 y3="1.322854"
                                 z3="0.435384">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-5.247244"
                                 y3="-0.414583"
                                 z3="0.829881">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-5.275544"
                                 y3="0.14223"
                                 z3="-0.899733">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-0.748454"
                                 y3="-1.260728"
                                 z3="-0.503979">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-1.804064"
                                 y3="1.961199"
                                 z3="1.459123">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-1.865804"
                                 y3="2.454679"
                                 z3="-0.226519">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-0.406111"
                                 y3="2.808004"
                                 z3="0.74083">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="4.457716"
                                 y3="1.374623"
                                 z3="-1.678012">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.760057"
                                 y3="1.901375"
                                 z3="-1.890947">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="3.29592"
                                 y3="0.305714"
                                 z3="-2.528281">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="2.76494"
                                 y3="-1.183402"
                                 z3="3.125891">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.192365"
                                 y3="0.443668"
                                 z3="2.639597">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="3.761921"
                                 y3="-0.177627"
                                 z3="2.025743">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="-4.128259"
                                 y3="-1.749687"
                                 z3="-0.572242">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a17" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a4 a28" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a9 a13" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a12" order="S"/>
                           <bond atomRefs2="a12 a23" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a12 a22" order="S"/>
                           <bond atomRefs2="a13 a14" order="S"/>
                           <bond atomRefs2="a14 a26" order="S"/>
                           <bond atomRefs2="a14 a27" order="S"/>
                           <bond atomRefs2="a14 a25" order="S"/>
                        </bondArray>
                        <formula concise="C7H14O6P">
                           <atomArray count="7 14 6 1" elementType="C H O P"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">211.04506100000003</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                     <scalar dataType="xsd:integer" dictRef="o:charge">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="9">wB97X-D3 TightOpt Freq def2-TZVPP def2/J RIJCOSX TightSCF defgrid3 CHELPG</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">3200</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"/>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">pal</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">nprocs 8</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">chelpg</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">grid 0.1</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">rmax 3.0</scalar>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefined" id="otherComponents">
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.889802"
                              y3="0.327232"
                              z3="0.083522"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.453717"
                              y3="0.4895"
                              z3="0.12943"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.658603"
                              y3="-0.480564"
                              z3="-0.209636"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.129466"
                              y3="-1.635239"
                              z3="-0.59886"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.269809"
                              y3="-0.355551"
                              z3="-0.180735"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.588945"
                              y3="0.784927"
                              z3="0.179251"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.190299"
                              y3="2.083079"
                              z3="0.596278"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.726127"
                              y3="0.825371"
                              z3="0.181929"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.815187"
                              y3="-0.434443"
                              z3="-0.170376"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.287468"
                              y3="-1.311099"
                              z3="-1.212087"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.096342"
                              y3="0.425981"
                              z3="-0.435882"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.356215"
                              y3="1.005913"
                              z3="-1.738973"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.041702"
                              y3="-1.076211"
                              z3="1.2358"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.756852"
                              y3="-0.425465"
                              z3="2.31383"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.286257"
                              y3="1.281153"
                              z3="0.411529"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.200952"
                              y3="-0.456077"
                              z3="0.774607"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.212301"
                              y3="0.12815"
                              z3="-0.938418"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.721271"
                              y3="-1.226341"
                              z3="-0.510501"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.800061"
                              y3="1.947183"
                              z3="1.489524"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.847598"
                              y3="2.466129"
                              z3="-0.183746"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.401952"
                              y3="2.801454"
                              z3="0.798131"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.39341"
                              y3="1.321863"
                              z3="-1.713553"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.702512"
                              y3="1.863174"
                              z3="-1.887208"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.20017"
                              y3="0.258542"
                              z3="-2.513149"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.778609"
                              y3="-1.150006"
                              z3="3.120514"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.222473"
                              y3="0.471654"
                              z3="2.621144"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.764451"
                              y3="-0.180204"
                              z3="1.989544"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.089979"
                              y3="-1.694411"
                              z3="-0.611055"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.872339"
                              y3="0.326343"
                              z3="0.153812"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.44078"
                              y3="0.486065"
                              z3="0.155174"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.6602"
                              y3="-0.496769"
                              z3="-0.161834"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.145175"
                              y3="-1.659134"
                              z3="-0.486199"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.271339"
                              y3="-0.377618"
                              z3="-0.176187"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.582137"
                              y3="0.771942"
                              z3="0.116912"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.17797"
                              y3="2.080871"
                              z3="0.498799"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.730874"
                              y3="0.822639"
                              z3="0.09188"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.831896"
                              y3="-0.411559"
                              z3="-0.236487"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.374531"
                              y3="-1.25845"
                              z3="-1.319806"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.111886"
                              y3="0.45133"
                              z3="-0.413925"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.431274"
                              y3="1.061459"
                              z3="-1.682388"/>
                        <atom elementType="O"
                              id="a13"
                              x3="1.990734"
                              y3="-1.089715"
                              z3="1.148276"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.640062"
                              y3="-0.47145"
                              z3="2.276571"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.263084"
                              y3="1.291751"
                              z3="0.449945"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.166995"
                              y3="-0.425459"
                              z3="0.884916"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.222173"
                              y3="0.083795"
                              z3="-0.84887"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.73415"
                              y3="-1.262047"
                              z3="-0.481636"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.762707"
                              y3="1.977672"
                              z3="1.411306"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.85361"
                              y3="2.432949"
                              z3="-0.278248"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.387915"
                              y3="2.807357"
                              z3="0.65353"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.464944"
                              y3="1.377679"
                              z3="-1.606418"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.785288"
                              y3="1.921783"
                              z3="-1.840601"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.310713"
                              y3="0.335091"
                              z3="-2.48127"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.619423"
                              y3="-1.212375"
                              z3="3.067059"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.090461"
                              y3="0.417838"
                              z3="2.576883"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.663514"
                              y3="-0.217996"
                              z3="2.018077"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.104525"
                              y3="-1.708298"
                              z3="-0.468409"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.877198"
                              y3="0.324548"
                              z3="0.118844"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.444899"
                              y3="0.482283"
                              z3="0.14208"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.654799"
                              y3="-0.492169"
                              z3="-0.18408"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.128124"
                              y3="-1.652208"
                              z3="-0.538709"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.264401"
                              y3="-0.365846"
                              z3="-0.176103"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.580484"
                              y3="0.779504"
                              z3="0.149219"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.178968"
                              y3="2.08474"
                              z3="0.546816"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.732971"
                              y3="0.824452"
                              z3="0.134664"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.818945"
                              y3="-0.412643"
                              z3="-0.202748"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.32915"
                              y3="-1.269427"
                              z3="-1.261456"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.096027"
                              y3="0.439998"
                              z3="-0.426482"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.388659"
                              y3="1.032549"
                              z3="-1.710392"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.009084"
                              y3="-1.075311"
                              z3="1.183778"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.687732"
                              y3="-0.453563"
                              z3="2.293031"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.273398"
                              y3="1.284138"
                              z3="0.429496"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.184129"
                              y3="-0.441783"
                              z3="0.831144"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.216058"
                              y3="0.103181"
                              z3="-0.893591"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.719562"
                              y3="-1.242724"
                              z3="-0.493821"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.774413"
                              y3="1.968577"
                              z3="1.451827"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.844711"
                              y3="2.453354"
                              z3="-0.23228"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.388391"
                              y3="2.806952"
                              z3="0.723125"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.427225"
                              y3="1.342072"
                              z3="-1.667729"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.746084"
                              y3="1.897561"
                              z3="-1.864322"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.241432"
                              y3="0.298144"
                              z3="-2.498711"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.674548"
                              y3="-1.18367"
                              z3="3.0950"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.156735"
                              y3="0.447666"
                              z3="2.595545"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.710449"
                              y3="-0.215534"
                              z3="2.013523"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.089005"
                              y3="-1.70915"
                              z3="-0.536809"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.879765"
                              y3="0.326743"
                              z3="0.118344"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.446779"
                              y3="0.481399"
                              z3="0.14161"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.657284"
                              y3="-0.493273"
                              z3="-0.188309"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.131046"
                              y3="-1.652813"
                              z3="-0.547923"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.266314"
                              y3="-0.366682"
                              z3="-0.180086"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.582455"
                              y3="0.778226"
                              z3="0.148944"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.181908"
                              y3="2.082191"
                              z3="0.551125"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.732724"
                              y3="0.82225"
                              z3="0.136445"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.820156"
                              y3="-0.412105"
                              z3="-0.198625"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.329086"
                              y3="-1.274659"
                              z3="-1.253367"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.096296"
                              y3="0.44052"
                              z3="-0.43028"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.388513"
                              y3="1.031243"
                              z3="-1.715619"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.015937"
                              y3="-1.071242"
                              z3="1.189354"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.69546"
                              y3="-0.450617"
                              z3="2.298905"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.274382"
                              y3="1.286178"
                              z3="0.432448"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.188852"
                              y3="-0.441281"
                              z3="0.828169"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.22021"
                              y3="0.109576"
                              z3="-0.894657"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.721487"
                              y3="-1.242438"
                              z3="-0.501734"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.778477"
                              y3="1.962754"
                              z3="1.455345"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.846682"
                              y3="2.454247"
                              z3="-0.227566"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.391444"
                              y3="2.804092"
                              z3="0.731318"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.428304"
                              y3="1.337833"
                              z3="-1.676451"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.748687"
                              y3="1.898635"
                              z3="-1.86957"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.237167"
                              y3="0.297029"
                              z3="-2.503694"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.678067"
                              y3="-1.178166"
                              z3="3.103405"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.169166"
                              y3="0.454384"
                              z3="2.599433"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.720261"
                              y3="-0.217855"
                              z3="2.021146"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.092239"
                              y3="-1.710477"
                              z3="-0.547254"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.882276"
                              y3="0.328813"
                              z3="0.113815"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.449238"
                              y3="0.481396"
                              z3="0.139415"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.660677"
                              y3="-0.493025"
                              z3="-0.193666"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.135465"
                              y3="-1.650914"
                              z3="-0.557967"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.269228"
                              y3="-0.368206"
                              z3="-0.182231"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.584957"
                              y3="0.774608"
                              z3="0.152633"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.183273"
                              y3="2.077879"
                              z3="0.558321"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.731426"
                              y3="0.817584"
                              z3="0.140726"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.820726"
                              y3="-0.411996"
                              z3="-0.192751"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.328998"
                              y3="-1.282314"
                              z3="-1.241846"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.094281"
                              y3="0.441491"
                              z3="-0.434428"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.384356"
                              y3="1.029829"
                              z3="-1.720708"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.025719"
                              y3="-1.066046"
                              z3="1.196207"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.707071"
                              y3="-0.445787"
                              z3="2.303723"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.276404"
                              y3="1.287417"
                              z3="0.431311"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.1938"
                              y3="-0.441617"
                              z3="0.820001"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.222318"
                              y3="0.116128"
                              z3="-0.90031"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.724681"
                              y3="-1.24321"
                              z3="-0.506683"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.781126"
                              y3="1.956343"
                              z3="1.461421"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.846041"
                              y3="2.453858"
                              z3="-0.220265"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.392055"
                              y3="2.798208"
                              z3="0.74227"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.425669"
                              y3="1.331994"
                              z3="-1.68659"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.748149"
                              y3="1.900223"
                              z3="-1.873253"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.226534"
                              y3="0.2961"
                              z3="-2.508099"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.684899"
                              y3="-1.169213"
                              z3="3.11189"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.187129"
                              y3="0.464163"
                              z3="2.600761"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.733862"
                              y3="-0.220384"
                              z3="2.026516"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.096778"
                              y3="-1.707629"
                              z3="-0.559353"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.883926"
                              y3="0.331142"
                              z3="0.106616"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.450901"
                              y3="0.48175"
                              z3="0.13685"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.663169"
                              y3="-0.491986"
                              z3="-0.199498"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.138897"
                              y3="-1.646448"
                              z3="-0.57233"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.271544"
                              y3="-0.369249"
                              z3="-0.184978"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.586974"
                              y3="0.770712"
                              z3="0.157221"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.183642"
                              y3="2.072256"
                              z3="0.569784"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.729785"
                              y3="0.812067"
                              z3="0.148112"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.820598"
                              y3="-0.414287"
                              z3="-0.18493"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.327084"
                              y3="-1.292498"
                              z3="-1.22727"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.090748"
                              y3="0.441087"
                              z3="-0.437415"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.37553"
                              y3="1.025681"
                              z3="-1.725817"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.036035"
                              y3="-1.061295"
                              z3="1.205589"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.721196"
                              y3="-0.437072"
                              z3="2.30751"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.277697"
                              y3="1.288453"
                              z3="0.428234"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.198306"
                              y3="-0.442737"
                              z3="0.80769"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.221577"
                              y3="0.124292"
                              z3="-0.909478"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.727094"
                              y3="-1.243091"
                              z3="-0.512675"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.783065"
                              y3="1.946262"
                              z3="1.471167"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.844325"
                              y3="2.45404"
                              z3="-0.207664"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.391646"
                              y3="2.790162"
                              z3="0.759411"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.417947"
                              y3="1.32458"
                              z3="-1.698152"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.741384"
                              y3="1.897826"
                              z3="-1.876676"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.211054"
                              y3="0.291013"
                              z3="-2.510965"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.697919"
                              y3="-1.155159"
                              z3="3.120356"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.205867"
                              y3="0.476915"
                              z3="2.60011"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.748339"
                              y3="-0.217386"
                              z3="2.027019"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.100222"
                              y3="-1.701337"
                              z3="-0.576963"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.885435"
                              y3="0.334281"
                              z3="0.098115"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.452301"
                              y3="0.482627"
                              z3="0.133071"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.665472"
                              y3="-0.490282"
                              z3="-0.207216"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.142257"
                              y3="-1.641526"
                              z3="-0.587535"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.273679"
                              y3="-0.370687"
                              z3="-0.187342"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.58849"
                              y3="0.765793"
                              z3="0.163804"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.183477"
                              y3="2.06602"
                              z3="0.582342"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.728342"
                              y3="0.805513"
                              z3="0.157562"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.820939"
                              y3="-0.418291"
                              z3="-0.176501"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.325355"
                              y3="-1.303616"
                              z3="-1.212182"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.087014"
                              y3="0.440149"
                              z3="-0.439395"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.364506"
                              y3="1.021163"
                              z3="-1.730513"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.047069"
                              y3="-1.057955"
                              z3="1.215579"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.736472"
                              y3="-0.427154"
                              z3="2.310618"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.278483"
                              y3="1.290102"
                              z3="0.424779"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.202543"
                              y3="-0.443651"
                              z3="0.793366"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.220511"
                              y3="0.134359"
                              z3="-0.920175"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.729241"
                              y3="-1.243607"
                              z3="-0.517427"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.785353"
                              y3="1.935899"
                              z3="1.481431"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.841511"
                              y3="2.453497"
                              z3="-0.194476"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.390671"
                              y3="2.781255"
                              z3="0.778064"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.407646"
                              y3="1.318007"
                              z3="-1.710091"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.731116"
                              y3="1.894188"
                              z3="-1.879095"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.19367"
                              y3="0.285143"
                              z3="-2.513006"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.714746"
                              y3="-1.139643"
                              z3="3.128367"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.223705"
                              y3="0.489674"
                              z3="2.598617"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.762936"
                              y3="-0.211052"
                              z3="2.025084"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.103588"
                              y3="-1.694515"
                              z3="-0.594989"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.886776"
                              y3="0.33763"
                              z3="0.089502"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.453443"
                              y3="0.483198"
                              z3="0.129966"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.667418"
                              y3="-0.48887"
                              z3="-0.214299"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.145247"
                              y3="-1.636216"
                              z3="-0.604392"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.275476"
                              y3="-0.372093"
                              z3="-0.189895"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.589465"
                              y3="0.76087"
                              z3="0.170374"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.182967"
                              y3="2.059473"
                              z3="0.596056"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.727319"
                              y3="0.798706"
                              z3="0.167591"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.821756"
                              y3="-0.42313"
                              z3="-0.16789"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.324027"
                              y3="-1.314925"
                              z3="-1.19694"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.08347"
                              y3="0.438732"
                              z3="-0.440929"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.352706"
                              y3="1.015732"
                              z3="-1.735377"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.058028"
                              y3="-1.055167"
                              z3="1.225792"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.751367"
                              y3="-0.415996"
                              z3="2.313483"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.278949"
                              y3="1.291941"
                              z3="0.421458"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.207161"
                              y3="-0.444514"
                              z3="0.778449"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.218756"
                              y3="0.145255"
                              z3="-0.931222"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.730992"
                              y3="-1.243795"
                              z3="-0.523068"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.787227"
                              y3="1.924445"
                              z3="1.492792"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.838602"
                              y3="2.453193"
                              z3="-0.179617"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.389367"
                              y3="2.771917"
                              z3="0.798303"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.396397"
                              y3="1.31105"
                              z3="-1.722962"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.719525"
                              y3="1.88926"
                              z3="-1.881704"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.175506"
                              y3="0.2779"
                              z3="-2.514738"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.732528"
                              y3="-1.122495"
                              z3="3.136455"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.239661"
                              y3="0.502956"
                              z3="2.596396"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.77668"
                              y3="-0.202138"
                              z3="2.02236"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.106621"
                              y3="-1.687228"
                              z3="-0.615087"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.887872"
                              y3="0.340633"
                              z3="0.082369"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.454316"
                              y3="0.483596"
                              z3="0.127253"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.668942"
                              y3="-0.487283"
                              z3="-0.221954"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.147648"
                              y3="-1.63122"
                              z3="-0.621034"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.276882"
                              y3="-0.37304"
                              z3="-0.193027"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.5900"
                              y3="0.756538"
                              z3="0.176315"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.182574"
                              y3="2.053457"
                              z3="0.608823"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.726765"
                              y3="0.792516"
                              z3="0.1770"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.823034"
                              y3="-0.42772"
                              z3="-0.159935"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.323378"
                              y3="-1.324916"
                              z3="-1.183108"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.080718"
                              y3="0.43723"
                              z3="-0.442176"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.342024"
                              y3="1.010101"
                              z3="-1.740105"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.067957"
                              y3="-1.052873"
                              z3="1.235181"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.764217"
                              y3="-0.40529"
                              z3="2.316378"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.279173"
                              y3="1.29317"
                              z3="0.420414"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.210986"
                              y3="-0.446044"
                              z3="0.764848"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.217606"
                              y3="0.156324"
                              z3="-0.94057"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.732267"
                              y3="-1.243476"
                              z3="-0.52933"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.789278"
                              y3="1.913543"
                              z3="1.503182"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.835882"
                              y3="2.453133"
                              z3="-0.165779"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.388355"
                              y3="2.763346"
                              z3="0.81752"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.386231"
                              y3="1.303894"
                              z3="-1.735736"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.709128"
                              y3="1.884181"
                              z3="-1.884407"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.158566"
                              y3="0.270409"
                              z3="-2.516278"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.748417"
                              y3="-1.106119"
                              z3="3.144251"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.25254"
                              y3="0.515178"
                              z3="2.594311"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.788389"
                              y3="-0.192731"
                              z3="2.02039"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.10908"
                              y3="-1.680844"
                              z3="-0.633937"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.888032"
                              y3="0.341052"
                              z3="0.0814"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.454437"
                              y3="0.483437"
                              z3="0.127261"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.669091"
                              y3="-0.48702"
                              z3="-0.223407"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.147919"
                              y3="-1.630144"
                              z3="-0.625067"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.277038"
                              y3="-0.373052"
                              z3="-0.193785"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.589878"
                              y3="0.755847"
                              z3="0.177545"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.182506"
                              y3="2.052283"
                              z3="0.611668"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.72688"
                              y3="0.791451"
                              z3="0.17874"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.823664"
                              y3="-0.4285"
                              z3="-0.158577"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.323764"
                              y3="-1.326379"
                              z3="-1.180887"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.080637"
                              y3="0.436956"
                              z3="-0.442513"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.340358"
                              y3="1.008553"
                              z3="-1.741431"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.069735"
                              y3="-1.052483"
                              z3="1.236826"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.76588"
                              y3="-0.402847"
                              z3="2.317125"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.279224"
                              y3="1.293049"
                              z3="0.421161"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.211823"
                              y3="-0.446848"
                              z3="0.762173"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.21737"
                              y3="0.15891"
                              z3="-0.942064"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.732347"
                              y3="-1.243085"
                              z3="-0.531067"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.78939"
                              y3="1.911165"
                              z3="1.505737"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.835683"
                              y3="2.453096"
                              z3="-0.16248"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.388233"
                              y3="2.761831"
                              z3="0.821485"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.38485"
                              y3="1.301417"
                              z3="-1.739216"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.708033"
                              y3="1.88314"
                              z3="-1.885295"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.154908"
                              y3="0.268456"
                              z3="-2.516766"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.750558"
                              y3="-1.10243"
                              z3="3.146074"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.253677"
                              y3="0.517742"
                              z3="2.593711"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.789906"
                              y3="-0.190225"
                              z3="2.020641"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.109378"
                              y3="-1.67968"
                              z3="-0.638134"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.887856"
                              y3="0.340413"
                              z3="0.082747"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.454312"
                              y3="0.483164"
                              z3="0.12799"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.668788"
                              y3="-0.487055"
                              z3="-0.223092"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.147464"
                              y3="-1.630427"
                              z3="-0.624498"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.276792"
                              y3="-0.372615"
                              z3="-0.194055"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.58963"
                              y3="0.756539"
                              z3="0.176786"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.182549"
                              y3="2.05288"
                              z3="0.610835"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.727102"
                              y3="0.79224"
                              z3="0.177644"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.823866"
                              y3="-0.42787"
                              z3="-0.15953"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.324363"
                              y3="-1.324914"
                              z3="-1.182721"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.081328"
                              y3="0.437169"
                              z3="-0.442469"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.341969"
                              y3="1.008509"
                              z3="-1.741391"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.068531"
                              y3="-1.052642"
                              z3="1.235781"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.763624"
                              y3="-0.403387"
                              z3="2.317091"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.279243"
                              y3="1.292274"
                              z3="0.422719"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.211273"
                              y3="-0.447564"
                              z3="0.76363"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.217673"
                              y3="0.158221"
                              z3="-0.940565"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.732025"
                              y3="-1.242586"
                              z3="-0.53142"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.78879"
                              y3="1.911786"
                              z3="1.505361"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.836362"
                              y3="2.453211"
                              z3="-0.163032"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.388412"
                              y3="2.762826"
                              z3="0.819947"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.386773"
                              y3="1.300291"
                              z3="-1.739074"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.710619"
                              y3="1.883794"
                              z3="-1.88534"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.155857"
                              y3="0.268638"
                              z3="-2.51679"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.747559"
                              y3="-1.103249"
                              z3="3.145799"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.251061"
                              y3="0.517053"
                              z3="2.593534"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.787944"
                              y3="-0.190619"
                              z3="2.02169"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.108925"
                              y3="-1.680389"
                              z3="-0.636723"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-4.887887"
                              y3="0.340325"
                              z3="0.082534"/>
                        <atom elementType="O"
                              id="a2"
                              x3="-3.454386"
                              y3="0.483017"
                              z3="0.128146"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.668806"
                              y3="-0.486872"
                              z3="-0.223781"/>
                        <atom elementType="O"
                              id="a4"
                              x3="-3.147456"
                              y3="-1.629868"
                              z3="-0.62633"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.276838"
                              y3="-0.37243"
                              z3="-0.194516"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.589666"
                              y3="0.756439"
                              z3="0.177228"/>
                        <atom elementType="C"
                              id="a7"
                              x3="-1.182659"
                              y3="2.052466"
                              z3="0.612052"/>
                        <atom elementType="O"
                              id="a8"
                              x3="0.727055"
                              y3="0.792083"
                              z3="0.178196"/>
                        <atom elementType="P"
                              id="a9"
                              x3="1.82398"
                              y3="-0.42782"
                              z3="-0.159011"/>
                        <atom elementType="O"
                              id="a10"
                              x3="1.324433"
                              y3="-1.3252"
                              z3="-1.181921"/>
                        <atom elementType="O"
                              id="a11"
                              x3="3.081236"
                              y3="0.437257"
                              z3="-0.442693"/>
                        <atom elementType="C"
                              id="a12"
                              x3="3.341633"
                              y3="1.007706"
                              z3="-1.742056"/>
                        <atom elementType="O"
                              id="a13"
                              x3="2.069107"
                              y3="-1.052186"
                              z3="1.236399"/>
                        <atom elementType="C"
                              id="a14"
                              x3="2.76408"
                              y3="-0.402409"
                              z3="2.317465"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-5.279374"
                              y3="1.291868"
                              z3="0.423288"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-5.211498"
                              y3="-0.448232"
                              z3="0.762664"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-5.217583"
                              y3="0.159023"
                              z3="-0.940977"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-0.732006"
                              y3="-1.242132"
                              z3="-0.532482"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.788613"
                              y3="1.910802"
                              z3="1.506686"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-1.836723"
                              y3="2.453106"
                              z3="-0.161436"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-0.388577"
                              y3="2.762432"
                              z3="0.821337"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.386802"
                              y3="1.298191"
                              z3="-1.740705"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.71128"
                              y3="1.883732"
                              z3="-1.885852"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.153995"
                              y3="0.267758"
                              z3="-2.517017"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.747754"
                              y3="-1.101744"
                              z3="3.146612"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.251636"
                              y3="0.518291"
                              z3="2.593271"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.788501"
                              y3="-0.190021"
                              z3="2.022122"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.108917"
                              y3="-1.679891"
                              z3="-0.638367"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a16" order="S"/>
                        <bond atomRefs2="a1 a15" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a28" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a18" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a19" order="S"/>
                        <bond atomRefs2="a7 a20" order="S"/>
                        <bond atomRefs2="a7 a21" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a13" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a12 a23" order="S"/>
                        <bond atomRefs2="a12 a24" order="S"/>
                        <bond atomRefs2="a12 a22" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a14 a26" order="S"/>
                        <bond atomRefs2="a14 a27" order="S"/>
                        <bond atomRefs2="a14 a25" order="S"/>
                     </bondArray>
                     <formula concise="C7H14O6P">
                        <atomArray count="7 14 6 1" elementType="C H O P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">211.04506100000003</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.829419499403</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.832741339155</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833497708637</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833692127050</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833724598218</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833735807159</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833731027424</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833720822967</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833708272012</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833695518279</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833693664815</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833695801225</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833695266188</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="28">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="28">C O C O C C C O P O O C O C H H H H H H H H H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="28">0.022538 0.341457 -0.273685 0.452741 -0.043183 -0.140485 0.044266 0.182785 0.220982 -0.209495 0.095393 -0.010842 0.102533 -0.014883 0.033791 0.018719 0.018927 0.034306 0.039415 0.038831 0.036138 0.019759 0.008164 0.014779 0.019785 0.005423 0.011465 -0.069622</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="28">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="28">C O C O C C C O P O O C O C H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="28">6.1566 8.2204 5.5327 8.1797 6.2204 5.7116 6.1855 8.2820 14.1321 8.4731 8.3092 6.1251 8.2955 6.1206 0.8589 0.8601 0.8594 0.8412 0.8887 0.8877 0.8763 0.8624 0.8804 0.8596 0.8598 0.8849 0.8652 0.7708</array>
                     <array dataType="xsd:double" dictRef="o:za" size="28">6.0000 8.0000 6.0000 8.0000 6.0000 6.0000 6.0000 8.0000 15.0000 8.0000 8.0000 6.0000 8.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="28">-0.1566 -0.2204 0.4673 -0.1797 -0.2204 0.2884 -0.1855 -0.2820 0.8679 -0.4731 -0.3092 -0.1251 -0.2955 -0.1206 0.1411 0.1399 0.1406 0.1588 0.1113 0.1123 0.1237 0.1376 0.1196 0.1404 0.1402 0.1151 0.1348 0.2292</array>
                     <array dataType="xsd:double" dictRef="o:va" size="28">3.8301 2.2292 4.1059 2.3626 3.7618 3.8515 3.9033 2.2110 5.5600 2.1405 2.1501 3.8219 2.1614 3.8230 0.9984 0.9821 0.9820 1.0489 1.0052 1.0061 1.0149 0.9889 0.9889 0.9891 0.9876 0.9902 0.9915 1.0282</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="28">3.8301 2.2292 4.1059 2.3626 3.7618 3.8515 3.9033 2.2110 5.5600 2.1405 2.1501 3.8219 2.1614 3.8230 0.9984 0.9821 0.9820 1.0489 1.0052 1.0061 1.0149 0.9889 0.9889 0.9891 0.9876 0.9902 0.9915 1.0282</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="28">-0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="27">0.8503 0.9761 0.9709 0.9709 1.2902 1.3234 1.3311 0.9643 1.4470 0.9517 0.9641 1.2461 0.9623 0.9661 0.9911 0.8659 2.0230 1.2509 1.2840 0.8516 0.9751 0.9783 0.9716 0.8466 0.9745 0.9765 0.9739</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="27">0 1 0 14 0 15 0 16 1 2 2 3 2 4 3 27 4 5 4 17 5 6 5 7 6 18 6 19 6 20 7 8 8 9 8 10 8 12 10 11 11 21 11 22 11 23 12 13 13 24 13 25 13 26</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="mullikenpopulation">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="28">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="28">C O C O C C C O P O O C O C H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="28">-0.156584 -0.220375 0.467267 -0.179696 -0.220444 0.288438 -0.185525 -0.281983 0.867909 -0.473118 -0.309239 -0.125095 -0.295455 -0.120620 0.141103 0.139881 0.140583 0.158826 0.111348 0.112297 0.123662 0.137628 0.119589 0.140409 0.140193 0.115090 0.134759 0.229151</array>
                  </module>
               </module>
               <module cmlx:templateRef="orbitalenergies">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="641">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="641">2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="641"
                            units="nonsi:electronvolt">-2106.6792 -529.9940 -529.8681 -528.8576 -527.8602 -527.8466 -525.8559 -288.9736 -287.2060 -285.9682 -284.4406 -284.3823 -283.9467 -283.7113 -187.8709 -137.6566 -137.6110 -137.5278 -39.0692 -37.1162 -36.9353 -35.7814 -34.8257 -32.9530 -29.9163 -28.1598 -27.0916 -26.2607 -25.5650 -25.3445 -24.0868 -23.2404 -22.0946 -21.2321 -21.1753 -20.5340 -20.3610 -19.8412 -19.3788 -19.1605 -18.9120 -18.8035 -18.6870 -18.4548 -18.0386 -17.9956 -17.6959 -17.3867 -17.1747 -16.9083 -16.7092 -16.6769 -15.7790 -15.4952 -15.1232 -14.7262 -14.5209 -14.2376 -13.6323 -4.1397 -1.2435 -0.5642 -0.4610 -0.0499 0.3344 0.6838 0.9023 1.0474 1.1568 1.2608 1.3973 1.5729 1.8022 1.9712 2.0706 2.3339 2.4100 2.5532 2.7963 2.9385 3.0327 3.2020 3.7540 3.8999 4.0863 4.3217 4.4297 4.5247 4.6963 4.7546 4.9608 5.1621 5.4269 5.4792 5.6736 5.7933 6.1811 6.3140 6.4302 6.5774 6.8632 7.1649 7.3981 7.6661 7.7770 7.9899 8.3165 8.6692 8.9339 9.1489 9.4130 9.5574 9.7589 9.8491 9.9203 10.0758 10.2030 10.3367 10.6272 10.8349 11.0522 11.1979 11.4114 11.5400 11.6155 11.9443 11.9673 12.0329 12.0545 12.2502 12.3063 12.4953 12.5573 12.6569 12.9225 13.1044 13.4826 13.7123 14.1033 14.3577 14.6124 14.8107 14.9909 15.1978 15.4471 15.6832 16.0914 16.6969 16.8496 17.1935 17.3166 17.6871 17.9157 18.1793 18.4157 18.6819 19.2104 19.2707 19.3816 19.6716 19.8874 20.1450 20.5346 21.0243 21.0805 21.4749 21.6160 21.8784 22.0480 22.0766 22.3010 22.8568 22.9516 23.1503 23.6954 23.7279 23.8789 23.9422 24.1024 24.2843 24.4814 24.6389 24.7155 24.9202 25.0513 25.3842 25.5808 25.7596 26.0883 26.2642 26.3443 26.7161 26.7869 27.5197 27.8383 28.1144 28.2375 28.4889 28.5149 28.8264 29.0968 29.4429 29.5012 30.0314 30.1505 30.2576 30.5470 30.9408 31.2011 31.6741 31.9057 31.9623 32.2364 33.0324 33.2573 33.4208 33.7581 34.0927 34.2640 34.5223 35.0543 35.1104 35.6063 35.8640 36.1539 36.5498 36.7434 36.9324 37.1716 37.3124 37.5074 37.7231 37.7916 37.9884 38.1222 38.2669 38.3880 38.6646 38.7421 39.1398 39.5033 39.6082 39.7927 39.8604 40.2981 40.4348 40.5620 40.9768 41.3857 41.4237 41.4677 41.5191 41.9070 42.5009 43.4619 43.6840 43.8363 44.1969 44.2465 44.8273 45.4146 45.6612 46.1482 47.3630 48.0597 48.2226 48.6192 48.9660 49.2937 49.5476 49.7122 50.0139 50.2286 50.5188 51.1106 52.0145 52.1676 52.6840 53.4888 53.6516 53.9419 54.2498 54.7203 55.3186 55.8334 55.9339 56.7999 56.9718 57.4874 57.9748 58.2503 58.6144 58.8001 58.8862 59.3335 59.6467 60.2830 60.6089 61.2683 61.5299 61.6719 62.2535 62.4115 63.1390 63.7528 64.1698 64.5316 65.2110 66.4130 66.7676 66.9523 67.2417 67.3257 67.7004 68.0215 68.2176 68.4081 68.5301 68.7538 69.1462 70.0725 70.5462 70.8850 71.5820 71.7026 71.9898 72.2405 72.7000 73.0770 73.2642 73.4841 73.6957 73.7423 74.0815 74.8462 75.0183 75.4286 75.5516 75.7381 75.8354 76.1955 76.2359 76.5130 76.7723 77.0258 77.3927 77.6108 78.1156 78.3216 78.4673 78.5686 78.6374 78.8155 79.1436 79.4606 79.6168 79.7456 79.8695 79.9372 80.0300 80.4093 80.6850 80.8002 81.1169 81.3730 81.5970 81.7755 82.2682 82.8288 82.9611 83.3105 83.5162 83.6754 83.9601 84.4501 84.8256 84.9472 85.3582 85.8979 86.2895 86.5709 86.7189 86.9120 87.1913 87.2910 87.5029 87.8153 88.4741 88.8643 89.2477 89.3018 89.7610 89.8384 89.9069 90.2993 90.3808 90.6764 90.8732 91.0848 91.4938 91.7901 91.8658 92.5921 92.8424 93.0628 93.3967 93.5824 93.7321 94.0240 94.3634 94.5844 94.7944 95.2062 95.4915 95.7431 96.3360 96.9157 97.0449 97.2674 97.4103 97.6447 97.7478 98.3760 98.6845 98.7503 99.0660 99.6776 100.2358 100.9102 101.7536 101.8177 102.1750 102.7471 103.1525 103.2213 103.3125 103.5754 103.8102 104.2068 104.4446 104.6245 104.8839 105.3193 105.3657 105.8108 106.1261 106.7413 107.0409 107.4853 107.6778 108.0089 108.2531 108.6520 108.8805 109.1348 109.2842 109.3658 109.5891 109.6706 110.3060 110.5353 110.7294 110.8183 111.1345 111.2748 111.6256 112.5316 112.6532 112.8868 113.2455 113.5774 113.9151 114.3001 114.4631 114.5069 114.6415 115.2018 116.8337 117.0662 117.8866 118.3865 118.9723 120.1197 121.0904 121.1972 121.5702 121.6257 122.1158 122.5502 122.7329 123.3247 123.4952 123.7102 124.2311 124.8746 125.7557 126.9881 127.5428 128.5055 128.7083 128.8454 129.0719 130.4697 131.1653 132.6723 132.9016 133.1526 133.2509 133.4103 133.6194 133.6780 134.0604 134.4646 135.6660 135.7702 136.2344 136.5668 136.9294 137.1089 137.9457 138.0012 138.2127 138.6508 138.7439 139.0703 139.7989 140.0026 140.3109 140.6189 140.6559 141.0146 141.2554 141.6107 142.0244 142.2802 142.4129 142.6912 142.8097 142.9552 143.2683 143.3535 143.7060 143.9237 144.1356 144.3734 144.7193 145.3625 145.7591 145.9321 146.0856 147.0121 147.7452 147.9720 148.1367 148.5319 148.7643 148.8391 149.6688 149.7314 149.8910 150.1274 150.3660 150.4235 150.8801 151.2497 151.6663 152.0565 152.3815 152.9487 153.4396 154.1241 156.0398 157.5577 157.8099 159.2931 161.0750 161.8356 162.0485 163.1079 163.7125 163.9895 164.5636 165.7765 166.5654 168.3877 170.2855 172.4604 172.5732 173.2487 174.2433 174.8400 175.5695 175.9367 176.5892 177.2181 177.9324 178.8169 179.2642 179.3777 180.1338 181.4760 181.5182 182.4713 184.2570 185.4610 185.9445 186.4815 186.7672 187.1107 188.1878 188.3531 188.9234 189.3875 191.5218 193.5269 194.9706 195.7548 196.6674 197.4646 199.6011 200.3541 201.2951 202.6597 203.5016 219.5934 229.8973 235.0756 462.9386 621.3894 627.4615 634.8155 637.3586 637.7847 638.4114 644.2416 1190.5789 1195.0405 1197.2391 1199.0504 1201.3751 1202.7242</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="84">0.00 0.00 0.00 0.00 0.00 0.00 17.56 31.05 60.74 66.40 86.88 93.41 100.95 109.01 129.88 149.33 161.63 184.40 192.09 210.50 235.60 264.42 319.12 336.78 353.56 408.96 425.42 473.91 499.48 530.97 539.72 594.10 707.86 733.86 756.34 803.65 867.44 894.72 906.91 951.22 1051.58 1057.97 1117.65 1130.46 1134.07 1171.15 1179.26 1187.66 1189.08 1212.08 1216.77 1223.18 1297.78 1378.40 1397.98 1426.08 1444.27 1480.17 1486.52 1493.22 1493.84 1497.42 1501.71 1504.03 1506.17 1506.88 1514.27 1543.47 1613.33 1636.39 3067.51 3083.62 3084.02 3086.67 3158.10 3158.96 3175.58 3176.03 3198.81 3206.06 3206.48 3215.80 3232.79 3843.96</array>
                     <matrix cols="84"
                             dataType="xsd:double"
                             dictRef="cc:displacement"
                             rows="84">0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.015841 0.045003 -0.083586 -0.014574 0.014941 -0.030171 -0.021865 0.028789 -0.085127 -0.031619 0.070444 -0.191531 -0.020412 0.000127 -0.036689 -0.010786 -0.041993 0.071387 -0.000180 -0.068100 0.164786 -0.009820 -0.058700 0.100759 0.010368 -0.027900 0.058887 -0.028608 -0.092269 0.133704 -0.045531 0.009636 -0.078783 -0.182593 -0.024322 -0.120381 0.148635 0.043811 0.065014 0.206698 0.119071 -0.016684 -0.008445 0.025574 -0.020973 -0.050327 -0.001879 -0.154627 0.010858 0.130659 -0.107349 -0.022781 0.016429 -0.082784 -0.024885 -0.133310 0.137873 0.025715 0.007659 0.182383 0.006274 -0.098700 0.243969 -0.199148 0.035212 -0.215731 -0.243211 -0.064566 -0.103260 -0.202686 -0.063952 -0.077825 0.324145 0.142538 0.005277 0.173459 0.095054 0.001284 0.167207 0.173317 -0.115587 -0.032168 0.087963 -0.219581 -0.003746 0.085196 -0.233906 -0.003562 0.054428 -0.143938 -0.001328 -0.020755 0.067692 0.000372 -0.072374 0.211290 -0.000920 -0.045094 0.137916 -0.000599 -0.019029 0.059102 -0.002250 0.015740 -0.046003 -0.001310 -0.024786 0.077928 0.000240 -0.002604 -0.001428 -0.031683 0.036466 -0.019808 -0.019355 0.023774 -0.010995 -0.106630 0.125921 0.016892 0.060633 -0.058215 -0.037904 0.111111 -0.108362 -0.039931 -0.005040 0.150313 -0.416590 -0.079160 0.201742 -0.134875 0.072852 -0.067849 -0.231924 -0.003354 -0.085574 0.240008 -0.160143 0.068569 -0.146603 0.148798 0.035347 -0.166273 0.000989 -0.020048 0.062666 -0.117855 0.166331 -0.015469 -0.147395 0.112395 0.110002 -0.116712 0.173487 -0.026078 0.165279 -0.154584 -0.077760 0.113265 -0.130927 0.038418 0.092316 -0.078845 -0.084110 -0.000098 -0.044800 0.132731 -0.023955 -0.026049 -0.107077 -0.027496 -0.012856 -0.028502 -0.001669 -0.011217 0.024335 0.027196 -0.025745 0.029786 -0.004385 0.007604 0.058802 -0.021368 0.009945 0.084531 -0.043724 -0.025225 0.158063 -0.021587 0.040889 0.046672 -0.019772 0.061485 -0.012968 -0.024784 0.087634 -0.034599 -0.018692 0.057687 -0.012940 0.186550 -0.229928 -0.100793 -0.015361 0.026300 -0.028248 0.017076 -0.016495 -0.024244 -0.051575 -0.022566 -0.148612 -0.057119 -0.015256 -0.110387 0.037168 -0.048761 -0.122904 0.008889 0.023103 0.041358 -0.128149 -0.098477 0.088195 0.031621 0.051561 0.132452 -0.054878 -0.050887 0.286993 0.231683 -0.392394 -0.060761 0.334312 -0.161617 -0.320857 0.139334 -0.347564 0.023477 0.070780 -0.061809 -0.061350 0.006140 -0.044218 0.048276 -0.000747 0.025112 -0.056882 0.028222 -0.034021 -0.014306 0.025036 0.042139 -0.028187 0.026854 0.014688 -0.005314 0.015260 -0.002515 0.016942 0.002982 -0.001219 0.029128 0.016549 -0.016888 0.020611 0.022473 -0.024850 0.032457 0.033054 -0.036359 0.081841 0.022028 -0.022888 0.002723 0.020322 -0.017167 -0.026729 0.017288 -0.018955 -0.023009 0.007815 -0.005025 -0.043708 -0.038267 0.023665 -0.040812 0.038896 -0.023766 -0.032825 -0.215569 0.094101 0.057627 0.037843 0.055205 -0.049794 -0.003051 0.058799 -0.022362 0.040212 0.033355 -0.031532 0.010616 -0.015585 0.007007 -0.018650 -0.070373 0.040571 0.084853 0.025336 0.069081 0.040950 -0.067992 0.159369 -0.045783 0.050645 -0.061199 -0.064369 0.010013 -0.011386 -0.037545 0.031379 -0.048368 0.068416 -0.033421 -0.044161 -0.592951 -0.155711 0.193132 -0.300636 0.554313 0.091051 0.002297 0.014053 0.014760 0.010574 0.027260 -0.037699 0.011624 0.008169 -0.015602 0.005195 -0.006428 0.010889 -0.001520 -0.012186 0.035841 0.005832 -0.009471 -0.000068 0.008429 -0.017449 0.018686 0.013832 -0.046478 0.112241 0.007987 -0.001810 -0.040756 0.002187 -0.012800 -0.021472 0.010115 -0.023683 -0.015232 0.012062 -0.023239 -0.008027 -0.003561 0.034923 0.014652 -0.027825 0.013520 -0.002776 -0.052242 0.073032 -0.021431 0.017996 0.041528 -0.068855 -0.013912 0.048686 -0.024612 0.027584 0.006979 -0.039650 0.002278 -0.000359 -0.029874 -0.038255 -0.115708 0.065065 0.064994 0.040522 0.113009 0.018256 -0.082048 0.215949 -0.005559 0.042048 0.017698 -0.010847 0.037015 0.058380 -0.004782 0.067248 -0.016065 -0.487140 0.311305 0.170505 0.220604 0.335874 -0.391708 0.088292 -0.374961 0.145875 -0.001939 -0.002180 0.023888 0.000936 0.013308 0.009589 0.001918 0.007453 -0.006143 -0.004203 0.000850 -0.001719 -0.011257 0.000106 0.009132 -0.003453 -0.003283 -0.007207 -0.002718 -0.005302 -0.001985 -0.001258 -0.006972 0.005501 -0.003345 -0.004906 -0.001258 0.003825 0.002344 -0.001182 0.017921 0.004781 -0.009855 -0.004214 0.020637 0.010975 0.000685 -0.019289 -0.005715 -0.000686 -0.003072 -0.002784 0.000944 -0.011564 0.001175 0.008712 0.018430 0.004340 0.004386 0.021061 0.020174 -0.010374 0.005289 0.014629 -0.004886 -0.003558 -0.009237 -0.009072 -0.012177 -0.000743 0.006832 0.002955 0.003751 0.000379 -0.012456 0.017813 -0.141913 0.495789 0.195638 -0.395153 -0.346331 -0.278197 0.533760 -0.218793 0.055920 -0.013049 -0.011037 0.001363 0.011707 -0.004578 -0.002279 0.005448 -0.025245 0.006930 -0.011596 0.006141 0.009436 -0.012307 -0.021192 0.167064 -0.010709 0.082523 -0.210803 -0.027028 0.024651 -0.089557 -0.048185 -0.035601 0.105517 -0.024438 0.024762 -0.148669 -0.016409 -0.014300 -0.042309 -0.012169 -0.048494 0.067329 -0.016743 -0.023959 -0.006172 0.010848 -0.001355 0.008439 0.040582 -0.017416 0.008010 -0.000908 0.021422 0.024700 0.038174 0.009368 0.028376 0.012026 0.011839 0.014233 0.045167 -0.001366 0.000837 0.008839 0.017449 0.084016 0.213212 0.078119 0.388851 -0.258724 -0.226030 0.281717 -0.029250 0.029849 -0.170667 -0.239098 -0.156037 -0.105888 0.206845 0.144913 -0.020708 -0.002853 -0.149731 0.374412 0.063158 -0.080404 0.021398 0.111834 0.064369 0.044034 -0.030572 0.033536 0.021861 0.164069 -0.055224 -0.042136 -0.009953 -0.060830 0.096830 0.005986 0.100155 -0.062204 -0.049551 0.002137 0.054844 0.013123 -0.211039 0.010535 -0.003326 0.005579 -0.100264 0.087577 0.055709 -0.031601 0.199426 -0.005325 0.006425 0.073993 0.138295 -0.004674 0.059999 0.129777 0.030626 0.058439 0.117478 0.058415 0.066515 0.097265 0.035128 -0.046605 -0.005933 0.016842 -0.144864 0.020905 0.039822 0.014459 -0.120422 -0.055645 -0.167027 -0.044008 -0.062044 -0.069952 -0.026819 0.009289 -0.062509 -0.073783 0.031385 -0.107491 -0.254493 -0.008218 0.185683 -0.229973 0.070646 -0.036064 -0.307446 0.042829 0.097972 0.157378 -0.011064 -0.038102 0.076501 -0.013710 0.145314 0.178780 0.014323 0.052687 0.088955 0.179209 -0.211644 0.115071 -0.129437 -0.310045 -0.134949 0.002012 -0.112791 -0.055191 -0.064396 -0.136944 -0.072693 0.030957 -0.008550 -0.038987 0.014818 -0.038211 -0.144765 0.064163 0.204329 -0.078169 -0.063049 0.008014 -0.005759 0.094133 0.009280 0.019997 -0.047289 -0.002424 0.002207 -0.024940 -0.016432 0.017640 -0.051892 -0.000829 -0.033545 0.050498 -0.003875 -0.028569 0.043453 -0.011996 0.026614 -0.129721 -0.005228 -0.055716 0.163070 0.025642 0.012710 0.015602 0.011661 0.070403 -0.028374 -0.030466 0.087341 -0.012204 -0.031305 -0.056878 -0.080336 0.117610 -0.077158 -0.041649 -0.091879 -0.007280 0.050425 0.024992 -0.015806 0.141776 0.094950 -0.019692 0.119007 -0.096265 -0.000864 0.126646 -0.000415 -0.056462 0.111562 -0.157722 0.130851 -0.213832 0.127356 -0.006150 -0.266770 -0.011070 0.007954 -0.070369 -0.010699 -0.131679 -0.143504 0.025405 -0.026919 -0.143022 -0.111592 -0.118808 -0.001310 -0.460457 0.144470 0.171025 0.001463 0.137600 -0.259471 0.032064 -0.247513 0.306860 -0.017469 0.050180 -0.108785 0.000543 -0.006608 0.010453 0.000397 -0.015182 0.042934 0.001330 -0.007104 0.023000 0.002671 0.017285 -0.047382 0.001299 -0.019101 0.060892 0.000909 -0.005615 0.020754 -0.002106 0.012285 -0.035646 0.000601 0.008663 -0.028326 -0.008925 -0.006207 -0.008086 -0.013958 -0.014289 0.001701 0.005635 -0.025717 0.000824 0.026038 0.016736 0.025852 -0.022188 0.014282 0.004307 0.017241 0.024995 -0.026570 -0.001334 -0.045251 0.115788 -0.012876 -0.082866 -0.084117 0.015862 0.110919 -0.014876 0.000258 -0.017479 0.055088 -0.471780 -0.001984 -0.363943 0.446561 0.219450 -0.318109 0.007408 -0.133167 0.420606 0.019792 0.039697 0.061979 0.011237 0.007463 0.033726 0.063324 0.034907 -0.000652 0.084212 0.016244 -0.032764 0.001326 0.005328 0.009745 -0.005523 0.061486 -0.078866 0.002559 0.027655 -0.081581 -0.112701 -0.128776 -0.011478 -0.119067 0.028644 -0.042203 -0.055388 0.058542 0.010178 0.000761 0.037945 -0.001733 -0.051445 0.054664 0.068067 0.008031 0.022958 0.049492 0.062580 0.065874 -0.005094 0.012986 -0.059514 0.079739 -0.000608 -0.057198 -0.023385 -0.065711 -0.019974 -0.022550 0.013211 -0.072759 -0.001020 0.163998 0.059406 0.100211 0.106728 -0.065004 -0.040366 0.019139 0.158536 -0.111660 -0.211358 -0.163622 -0.028984 -0.006649 -0.148442 0.016213 -0.114753 -0.189745 -0.000614 -0.074827 0.026763 0.101065 0.203086 0.144318 0.105846 -0.065221 -0.025172 0.057910 0.081948 0.099178 -0.190196 0.149001 0.116648 0.281815 0.140957 0.040281 0.084459 0.320964 0.122807 0.001329 0.101936 0.263824 -0.022213 -0.099635 0.129137 -0.232338 -0.006991 0.253728 -0.132663 0.003482 0.009295 -0.064725 -0.156739 -0.111011 -0.097697 -0.160324 -0.001854 0.101300 -0.087711 0.073765 0.036716 -0.039201 0.037580 0.076991 -0.077418 0.113674 -0.085806 0.010582 0.048339 -0.048879 0.089225 0.062680 0.018210 0.011721 -0.038786 -0.065380 0.083078 -0.009522 -0.003221 0.174373 -0.069951 0.005918 0.026714 0.079617 -0.006717 -0.037004 -0.005786 -0.064567 0.067513 -0.000360 -0.000756 -0.015404 -0.110711 0.111342 -0.277499 -0.196967 0.001297 -0.189411 -0.235799 -0.255990 0.003214 0.015014 -0.170626 -0.109047 0.105530 -0.126603 -0.052748 0.031641 -0.084071 0.235863 0.205401 -0.036229 0.128939 -0.033920 0.195476 -0.026774 -0.043437 -0.154729 -0.017513 0.007149 -0.070332 -0.117679 -0.045519 -0.007094 -0.171393 -0.154609 0.072274 0.026762 -0.084346 0.100427 0.038086 -0.178909 0.245976 -0.035539 -0.043162 0.178914 -0.007819 -0.008705 0.000567 -0.007790 -0.019525 0.058084 -0.003767 0.001960 0.007246 -0.001001 0.021791 -0.052282 -0.003362 0.005409 -0.000392 0.000833 0.002406 0.001023 0.004046 0.006021 -0.005038 0.000966 -0.001234 -0.002744 0.003339 -0.000897 -0.000408 0.006408 -0.003500 0.000403 0.001610 0.001809 -0.000670 -0.000253 0.000062 -0.002056 0.002956 -0.000300 -0.000225 -0.000607 -0.004028 0.003999 -0.015995 0.192641 -0.569211 -0.065072 0.363054 0.401900 0.057761 -0.553856 0.073132 -0.004689 0.008611 -0.011364 -0.057446 0.006457 -0.047794 0.063202 0.033591 -0.042467 0.006802 -0.014346 0.053520 -0.000068 -0.000616 -0.004334 -0.000008 0.000259 -0.001889 -0.002155 -0.000801 -0.000774 -0.006661 -0.005409 0.002755 0.000762 -0.003029 0.003164 0.001477 -0.006548 0.009343 -0.000253 -0.014468 0.042112 0.042699 0.057179 -0.067770 0.043633 -0.071129 0.157968 0.025228 -0.010739 -0.043059 0.019376 -0.059124 0.099828 0.017152 0.096667 -0.327005 -0.007486 0.034314 -0.095761 -0.035666 0.002828 -0.039735 -0.001974 -0.018176 0.150004 -0.031314 -0.008305 0.030158 -0.115631 0.075474 -0.003027 -0.019445 -0.031591 0.020774 0.016346 -0.020414 0.039381 0.084076 -0.079003 -0.019734 0.002744 0.066754 -0.047439 0.074428 0.065557 -0.054187 -0.150762 0.042718 -0.174522 0.201305 0.154733 -0.134257 0.031411 0.129892 -0.383493 -0.185372 -0.071536 -0.154133 0.103193 0.106074 -0.104765 -0.046602 -0.046468 0.169142 0.014930 -0.014622 0.075990 0.018355 -0.021642 0.022260 0.046364 -0.014426 0.026463 0.011173 0.147377 0.019908 -0.063991 0.062637 -0.157433 0.000473 0.101114 -0.029848 0.020981 -0.172862 0.438735 0.004059 -0.020013 -0.006855 0.001919 0.009100 0.003439 0.007443 0.012990 0.006695 0.022026 0.008855 0.003985 0.002903 0.017515 0.013758 0.009675 0.009795 0.016624 0.067790 0.039219 0.006888 -0.000629 -0.044176 0.014887 0.000812 -0.036094 0.017743 0.181530 0.084016 -0.174106 -0.011200 0.043519 0.177727 -0.189155 -0.138372 0.058043 -0.126173 -0.071810 0.029780 0.025595 0.127315 -0.165276 -0.019468 -0.028099 -0.011917 0.016532 -0.025809 -0.007631 0.016357 -0.028727 -0.009336 0.002138 0.017311 0.009996 0.070199 0.078513 0.015019 0.079091 0.059244 0.007419 0.104546 0.003618 -0.010485 -0.180199 -0.175375 -0.160459 -0.185683 -0.136917 0.046798 -0.349637 -0.233670 0.188476 0.254686 0.228587 -0.077846 -0.017258 0.110046 -0.187451 -0.055737 0.197672 -0.391116 0.022788 -0.002901 -0.005385 0.104899 0.025830 0.005339 0.094233 -0.009402 0.003853 0.073976 -0.011584 -0.011628 0.136597 -0.037254 -0.007267 0.031637 0.065420 -0.003138 -0.035776 0.078979 0.030327 0.108087 0.149312 0.036169 -0.061470 -0.055900 0.003395 -0.103854 -0.061590 -0.029028 0.066540 -0.290992 0.087346 -0.343046 0.281529 0.008974 0.074406 0.069886 0.014786 -0.031509 -0.056770 -0.040279 -0.029280 -0.041174 -0.068826 0.123445 0.032850 0.007200 0.085177 0.031027 0.001682 0.100313 0.032257 0.006100 0.102142 0.102947 0.012102 0.122781 0.232508 0.059789 0.129920 0.217075 0.052310 0.207020 0.051614 -0.002048 0.126991 -0.115122 0.242307 0.265193 0.162529 -0.249027 0.149167 0.013790 0.049099 -0.022909 -0.019356 -0.050023 -0.014462 -0.028683 -0.082259 -0.030013 -0.052554 -0.080711 0.139478 -0.100968 0.000187 -0.128410 0.203634 0.074164 -0.079891 -0.143606 -0.050244 -0.055644 -0.112418 -0.037316 0.086628 -0.178195 -0.063595 -0.051709 0.039464 0.021066 -0.027240 0.041335 0.016350 0.140855 0.120753 0.039474 -0.012973 -0.018327 -0.007475 0.006694 0.012586 0.002056 -0.006539 0.043566 -0.019266 0.046189 -0.042237 -0.009097 0.000150 -0.004489 -0.001834 0.018861 0.027826 0.007672 0.009662 0.001092 0.031491 0.178605 0.317959 0.114876 -0.267391 0.285183 0.098311 -0.267720 0.284317 0.107644 0.014133 0.075303 0.029201 0.153616 0.202114 0.062361 0.168234 0.211013 0.060950 0.249137 0.009247 0.010322 -0.006630 0.020039 -0.022332 -0.022941 -0.014792 0.034525 -0.004321 0.010118 -0.014652 -0.011770 -0.016555 0.016557 0.013842 0.000134 0.042625 0.016848 -0.003929 0.052449 0.089533 -0.279183 -0.110748 0.074453 -0.105769 -0.038346 0.052791 -0.001398 0.003077 -0.014382 -0.048494 -0.019584 -0.157656 0.002121 0.002992 -0.011201 -0.086569 -0.037705 0.018181 -0.090413 -0.023096 0.302661 0.020234 0.001883 0.004305 -0.081396 0.007481 -0.024296 0.031566 0.009914 -0.128318 0.111139 -0.010486 -0.036139 0.043640 -0.009998 0.010547 0.020061 -0.012934 -0.065061 0.088469 0.045228 0.007843 0.008798 0.051287 -0.029616 -0.145059 -0.052680 0.113318 -0.130613 -0.045699 0.118797 -0.128933 -0.050411 -0.014568 -0.087550 -0.039251 0.333994 0.185962 0.049407 0.354803 0.191961 0.046546 0.510476 -0.194133 -0.060324 0.015140 0.004125 0.014999 0.028052 0.027299 -0.045647 0.021998 0.012297 -0.007962 0.006323 -0.033131 0.016373 0.059014 0.018456 0.114899 0.007087 -0.025077 0.024514 -0.163711 0.116064 0.058140 0.005127 0.005801 -0.003006 0.001637 0.002403 0.022690 0.008278 0.022446 -0.032542 0.018050 -0.002199 0.019901 -0.003612 0.044807 -0.070281 -0.009563 -0.012877 0.128173 -0.051997 0.028638 -0.034507 -0.025955 -0.130728 0.375527 0.016478 -0.030969 -0.035575 0.216710 -0.057988 -0.110511 0.031009 -0.123249 -0.231600 0.094294 0.120287 -0.141319 -0.320138 0.179052 0.119306 -0.011872 0.003521 0.023562 -0.000014 0.002309 0.001273 -0.014652 0.002334 -0.015350 0.024812 0.013621 -0.010102 0.008325 0.036596 -0.033625 -0.080690 0.153449 -0.033892 -0.034913 -0.115995 -0.123073 -0.079784 0.083638 -0.113816 0.081569 0.168859 0.010298 0.068143 0.121449 -0.012643 0.184072 0.249854 -0.285037 0.081927 -0.068168 -0.034659 0.163884 0.046362 0.206983 -0.045265 -0.110209 -0.174835 0.019894 -0.059660 0.159699 -0.195917 0.075239 0.027843 -0.134181 0.006008 0.006558 -0.004086 0.091064 0.022236 0.149249 0.032490 0.008713 0.047294 -0.043350 -0.034846 0.180562 -0.143449 -0.040260 0.094923 -0.238199 -0.083909 0.165696 -0.001367 0.038417 0.059574 0.030760 0.018802 -0.126618 0.002846 0.142447 -0.019944 0.170357 0.013977 0.017477 0.050856 -0.064549 -0.192000 -0.067052 0.026223 -0.057712 -0.009368 -0.120980 -0.096893 0.111356 0.045418 -0.222891 0.092526 0.031528 -0.216883 0.096604 0.033893 -0.122622 -0.148356 -0.031302 0.075042 -0.287248 -0.106372 0.083829 -0.309588 -0.109823 0.011371 -0.155402 -0.058965 0.028272 0.010579 -0.078447 0.041464 0.053538 -0.144601 -0.003447 -0.021149 0.010063 0.070761 0.061302 -0.060296 -0.017575 0.013359 -0.116179 -0.097680 -0.021437 -0.269319 0.157697 -0.127336 0.034296 0.051581 -0.039269 -0.014595 0.038247 -0.081068 -0.028722 -0.033312 -0.120565 -0.047181 -0.254065 -0.048333 -0.015810 -0.001827 0.002629 -0.005180 -0.038440 0.064590 0.047587 0.018524 0.133626 0.038933 0.016210 0.133028 0.088355 0.061479 0.137191 0.028409 0.078834 -0.128643 0.273042 0.187977 -0.008213 0.002786 0.015058 0.021045 -0.062432 -0.101742 -0.183653 -0.097766 -0.104229 -0.049271 -0.258660 0.074283 -0.033067 -0.007862 0.026953 -0.026821 -0.008329 0.028622 -0.021301 -0.012271 0.111923 0.052768 0.032102 0.022553 0.209605 0.054709 0.037080 0.159422 0.034758 0.076059 0.081149 0.002991 -0.002860 0.081621 -0.181567 -0.059179 -0.020497 0.016493 -0.036980 -0.006013 -0.023644 0.015724 0.083313 -0.146562 -0.129476 -0.038291 -0.328604 -0.134012 -0.010876 -0.340064 -0.267698 0.150600 0.106051 -0.001477 0.000946 -0.002269 -0.000827 -0.012214 0.031576 0.000027 -0.002811 0.006752 -0.001487 -0.023495 0.066031 0.000627 0.013354 -0.040325 0.001981 -0.002585 0.007717 0.000198 0.001617 -0.008128 0.002764 0.002162 0.001147 0.001163 -0.001666 0.006815 0.002059 0.004753 0.000713 -0.003940 0.000965 -0.008012 0.003787 0.004944 -0.006974 -0.004935 -0.009574 0.005816 -0.000287 0.000625 -0.001518 -0.000653 0.028804 -0.078822 -0.023189 0.020682 0.002853 0.019302 -0.016740 -0.010816 0.001598 0.049943 -0.134219 -0.002212 0.022808 -0.006170 0.001845 -0.018203 -0.019534 -0.001406 0.007962 -0.023490 0.004353 0.003164 0.001732 0.006051 0.006446 -0.007169 0.007471 0.007397 -0.010092 0.006234 0.007854 0.004548 -0.001358 0.001614 -0.006988 -0.002746 0.000752 -0.009861 -0.007877 0.330664 -0.922102 0.005720 -0.003933 0.000161 0.000889 -0.065350 -0.035011 0.006143 -0.071849 -0.004198 -0.136567 -0.021231 -0.027105 0.022045 0.036779 0.062865 0.059087 0.116701 -0.069062 -0.056491 0.064543 0.034245 0.071375 0.117233 -0.125505 0.071338 -0.142092 0.147810 0.008750 0.173613 -0.092897 -0.147863 0.051460 -0.171525 0.085513 0.116736 -0.165105 -0.068965 -0.261033 0.207618 0.040345 0.034259 0.069559 0.064325 0.013087 0.021080 -0.026390 0.015547 0.010762 -0.044807 0.021207 0.011193 0.071198 0.058034 0.084274 -0.049226 -0.157993 0.006562 -0.114014 0.091060 0.096713 -0.153569 0.138487 0.155364 0.106449 0.046697 0.078521 0.156786 0.158105 -0.197711 0.175557 0.164764 -0.228403 0.189817 0.213331 0.220553 -0.013403 0.052609 -0.104529 -0.020876 0.046415 -0.127193 -0.145343 0.094995 0.162811 -0.044879 0.001336 0.000130 -0.024951 -0.142661 -0.046298 0.037681 -0.089302 -0.046546 -0.224612 -0.022304 0.002384 0.094090 0.089082 0.001549 0.196179 0.095301 0.099109 -0.041908 0.035755 0.007677 0.202608 0.133803 0.107796 0.064920 -0.122217 -0.137018 -0.128307 -0.105657 -0.084878 -0.047810 0.108834 0.123993 -0.051997 -0.051222 0.095030 -0.008278 0.177147 -0.029175 0.023360 0.018050 0.063412 0.106702 0.058718 0.017307 -0.136493 0.054281 0.021129 -0.128259 0.057368 0.014801 0.113957 0.108569 -0.014369 -0.120725 -0.042581 -0.057710 -0.075448 -0.228617 -0.104020 -0.261566 0.278584 0.020247 -0.043553 -0.085173 0.007969 -0.034697 -0.052572 0.006662 -0.092955 -0.124011 0.172712 -0.049669 -0.113683 -0.048115 0.066818 0.007751 0.168725 0.044283 -0.014373 0.116397 -0.243663 0.304135 0.091113 -0.147042 0.007290 0.003181 -0.062577 -0.074281 -0.029605 0.031309 -0.007024 0.004031 -0.082708 0.055519 0.016433 0.147049 -0.082286 -0.019897 0.139439 -0.063789 -0.021960 0.153912 -0.144075 -0.049865 0.166214 0.284867 0.074647 -0.267493 0.120237 0.074867 0.301444 -0.032346 -0.064172 -0.193853 -0.185465 -0.118269 -0.024163 -0.044429 0.083397 0.140399 -0.014030 -0.054168 0.015618 -0.005854 0.012936 -0.016616 0.054221 0.023776 -0.182596 0.039664 0.022976 -0.186100 0.046591 0.009823 0.066490 -0.125169 -0.071142 0.158997 -0.128114 -0.045601 0.165944 -0.126894 -0.049115 0.167683 -0.161583 -0.052560 -0.016922 -0.063349 0.288199 0.052643 0.016827 0.084176 0.093235 0.093193 -0.079049 -0.050452 -0.011604 0.008107 -0.013968 -0.014728 -0.007257 0.038299 0.015597 0.103038 -0.092121 0.180154 0.102940 -0.001350 -0.001333 0.004145 -0.000854 -0.007308 0.012297 0.001967 -0.005278 0.010893 -0.003473 0.000496 -0.003291 0.002526 -0.028861 0.086175 0.005224 0.099707 -0.291778 0.003770 0.002316 -0.008608 0.001150 -0.023567 0.115183 0.000910 -0.001130 -0.014480 0.002749 -0.018778 0.000391 0.005583 0.001057 0.008165 -0.003942 -0.005610 0.008816 -0.006974 0.029041 -0.012850 -0.005170 -0.001823 -0.007945 0.001947 0.003416 -0.005151 -0.004349 0.001340 0.004578 -0.002761 -0.001068 0.003613 -0.009036 -0.173865 0.446905 0.145174 -0.499528 0.015247 -0.133672 0.367468 0.306112 0.000507 -0.084956 0.298643 -0.004892 -0.002541 -0.004076 -0.006112 -0.006836 0.008297 -0.008079 -0.008698 0.012488 -0.014473 -0.019502 -0.022875 0.006377 -0.001608 0.012764 -0.000905 -0.009573 0.000734 -0.004869 0.068761 -0.172395 0.131697 0.010017 0.003223 0.019403 0.183141 0.068150 -0.204481 -0.011787 -0.012764 0.015558 -0.192537 -0.066571 -0.210544 0.034386 0.007125 0.025466 -0.024887 0.003624 0.055078 -0.075918 -0.023595 0.059482 0.235339 0.072366 0.021090 -0.038181 -0.020366 0.010199 -0.031994 -0.028504 -0.016064 0.008008 0.004180 -0.004414 -0.004081 0.007864 0.001021 -0.007544 0.004585 0.012117 0.007842 0.020209 -0.177893 -0.104301 -0.038497 0.269473 -0.086957 -0.046142 0.271735 -0.097015 -0.021486 -0.326920 -0.048046 0.045701 0.044679 -0.052744 -0.027415 0.057605 -0.085613 -0.030747 0.059373 -0.080654 -0.037329 -0.002322 -0.012285 0.013461 0.000799 -0.002142 -0.000341 -0.002133 -0.006508 0.009689 0.008698 0.002351 0.015246 0.004931 0.004860 0.010801 0.010100 0.005856 0.013760 0.036212 -0.581600 -0.208982 -0.110318 -0.000585 -0.000588 -0.011387 0.012668 -0.004153 0.072760 0.021266 0.041311 0.055769 0.075063 0.018181 0.096050 -0.231322 -0.089049 -0.143282 -0.084529 -0.027819 -0.024820 0.060792 0.021145 -0.125845 0.252312 0.082045 0.053202 -0.075958 -0.045572 -0.040029 -0.060788 -0.055079 0.050233 0.030559 0.039203 0.013812 0.018579 -0.036090 -0.011690 -0.045499 0.028568 0.034489 0.022955 0.059369 -0.058574 0.018002 0.009571 -0.109881 0.008897 0.009144 -0.119599 0.012022 0.001108 0.041010 -0.245173 -0.145213 0.093617 0.385798 0.149074 0.097361 0.399300 0.096650 0.355226 -0.319345 -0.112096 0.012343 0.021477 -0.085881 -0.014917 -0.002671 -0.019845 -0.018271 -0.017325 0.007180 0.044514 0.032064 0.066622 0.009502 0.017625 0.016931 0.022694 0.020791 0.022583 0.057266 0.105248 0.036166 -0.006707 -0.006313 0.014052 0.000910 -0.057960 0.134902 0.005448 0.199827 -0.551796 0.004362 -0.032550 0.131702 0.011272 -0.047886 0.098053 -0.011335 -0.030870 0.068231 -0.004420 0.000052 0.016926 -0.010761 0.026393 -0.044789 -0.002599 0.000150 -0.005742 -0.001847 -0.000988 -0.006720 0.005314 0.000632 0.002595 0.001719 0.002389 -0.004611 0.000481 -0.018024 0.008603 0.008594 0.004919 0.015105 0.008910 0.019327 -0.039335 -0.095096 0.008925 -0.009225 0.068937 0.007673 -0.012006 0.002276 -0.282809 0.698080 -0.016844 0.059603 0.016709 0.029893 0.014353 -0.005357 0.027883 -0.024090 -0.022196 0.001383 0.003554 -0.008225 -0.001410 0.000317 -0.001996 -0.001075 0.000266 -0.001776 0.014718 0.014461 0.023333 0.002024 0.004967 0.001841 0.005041 0.007802 0.005551 0.003205 0.015355 0.038769 0.037511 -0.003003 -0.001773 0.002846 -0.037598 -0.018442 -0.018422 -0.012201 0.021532 -0.012229 0.015130 0.000202 -0.018699 0.095325 0.020038 0.008429 0.025938 0.004438 0.037268 -0.063324 -0.023011 0.034910 -0.042399 0.012157 -0.215174 0.072154 -0.093334 -0.042404 -0.153706 -0.116468 0.253203 0.094487 0.144460 0.073831 0.107049 -0.179779 -0.030286 -0.221438 0.107365 0.127763 0.088521 0.236599 0.071477 0.008173 0.004012 0.023941 0.008280 0.004993 0.018164 0.009401 0.001939 -0.002742 0.083842 0.076843 0.007690 -0.151598 -0.056625 0.005319 -0.153800 -0.043128 -0.057590 0.028602 0.011286 0.059923 0.163042 -0.453617 -0.027934 0.037947 -0.166652 -0.055775 -0.026856 -0.020925 0.203643 0.197602 0.333055 0.076821 0.099075 0.102851 0.081733 0.106576 0.100072 -0.014295 0.017142 -0.007899 -0.208545 0.015635 0.006426 0.075013 0.223588 0.081109 -0.008359 -0.041948 -0.019774 -0.038576 -0.152958 -0.053332 0.162745 -0.196721 -0.063305 0.084767 -0.023658 -0.013582 -0.102714 0.217134 0.073001 0.151036 -0.118965 -0.028885 -0.043301 0.045272 -0.014672 -0.004629 -0.005648 -0.001934 0.000831 0.009537 -0.004546 -0.003631 -0.003008 0.011552 -0.010216 -0.026383 0.013914 0.015108 0.012090 0.031817 -0.467862 -0.078383 -0.026913 0.009302 -0.099779 -0.032420 0.010088 -0.098235 -0.038245 0.193539 -0.192443 -0.075376 -0.129362 0.159699 0.049586 -0.132374 0.158810 0.063231 -0.210810 0.337727 0.112852 -0.003403 -0.001969 -0.006257 0.003661 0.001106 -0.010447 -0.002627 -0.004353 0.011335 0.033461 0.031094 0.049251 0.020775 0.018708 0.025207 0.009755 0.012541 0.012098 -0.034263 -0.267447 -0.094881 -0.023926 0.001711 0.000951 0.009849 0.021479 0.015762 0.005648 0.018331 -0.073420 -0.006482 -0.024532 0.009580 0.016079 -0.046545 0.132767 0.002439 0.023285 -0.027209 0.014811 -0.006304 -0.029283 -0.007176 0.010706 0.013191 -0.053364 -0.071469 0.080349 0.000603 -0.003033 -0.023798 0.068598 0.021329 0.071008 0.039627 0.059341 -0.103869 0.039393 0.092511 -0.023880 -0.046245 -0.033144 -0.087805 -0.052727 -0.006568 -0.008394 -0.012921 -0.009445 -0.006615 0.009757 -0.008901 -0.007009 0.060633 0.340991 -0.810638 0.047866 -0.136407 -0.025144 -0.042268 0.033584 0.042633 -0.006221 -0.007763 0.050990 0.038337 0.068829 -0.170949 0.005034 0.035025 -0.095394 -0.003334 0.009204 -0.044495 -0.099499 -0.091195 -0.138874 -0.031775 -0.042007 -0.032228 -0.029637 -0.036585 -0.028683 -0.007083 -0.031527 0.062506 0.007678 0.000401 0.000084 -0.004334 -0.004923 0.004443 -0.002279 0.022438 -0.062361 0.001114 -0.002115 0.015825 -0.006175 -0.032884 0.135852 -0.014848 0.014786 -0.033495 0.007625 -0.007280 -0.032200 -0.012421 -0.012489 0.025624 0.054890 0.067929 -0.077996 -0.005805 -0.010864 0.020210 -0.056125 -0.014699 -0.066183 -0.036699 -0.055816 0.098619 -0.043670 -0.089465 0.016999 0.047730 0.035684 0.088848 0.007772 0.002438 -0.005389 -0.007924 0.002779 -0.003493 0.013660 0.002718 -0.001986 0.048516 0.364562 -0.815042 0.055277 -0.119708 -0.015385 -0.042202 0.063053 0.049399 0.009217 -0.033131 0.045013 -0.036120 -0.062647 0.149970 -0.006590 -0.034604 0.090983 0.000818 -0.013324 0.047794 0.094762 0.086728 0.133418 0.031481 0.042293 0.035409 0.031486 0.035817 0.029372 0.001408 -0.018503 0.060399 0.204168 -0.000487 -0.000910 -0.120069 -0.120869 -0.042043 -0.121364 0.066759 0.011791 0.039372 0.099799 0.038347 -0.074017 -0.125903 -0.008749 0.057947 -0.119508 -0.052615 -0.128005 0.159876 0.050914 0.178270 -0.028944 -0.000803 -0.032042 0.006537 0.010791 0.005336 -0.002016 -0.007437 0.005863 0.015557 -0.002356 0.001227 0.003374 0.002531 0.005949 0.015739 0.008582 -0.009521 -0.006499 -0.012903 0.307133 0.035953 0.010400 0.081561 0.054092 0.007474 0.086105 0.047568 0.026621 -0.424456 -0.241751 -0.296138 -0.038553 0.311552 0.138532 -0.053761 0.359502 0.087804 -0.031708 0.073233 0.030642 0.002206 0.004045 -0.024592 0.008124 0.006198 -0.026771 -0.000006 -0.000891 0.005550 -0.006048 -0.008254 -0.013375 0.007637 -0.001339 0.007391 -0.006400 -0.007596 -0.004919 0.060787 -0.237317 -0.071081 0.035159 0.000286 -0.000198 -0.040221 -0.006917 -0.001812 0.010506 0.010057 0.001365 0.016948 0.017666 0.006512 -0.022043 -0.104671 -0.032506 0.022229 -0.006760 -0.013284 0.139243 0.086568 0.040178 -0.088474 0.030814 0.010148 0.006943 -0.002178 -0.003355 0.004617 0.003566 0.009755 -0.007101 -0.015860 0.017684 0.001986 0.005676 -0.019672 -0.006711 -0.009435 -0.019635 0.011326 0.010268 0.013563 0.045466 0.004494 0.001889 -0.007755 0.017679 0.001689 -0.010331 0.014298 0.010568 -0.114219 -0.155182 -0.060041 -0.148398 -0.308429 -0.212339 -0.090556 -0.465188 -0.060769 -0.356609 0.594544 0.164096 0.002315 0.000744 0.014345 -0.001228 0.005444 0.005471 0.003915 0.004971 -0.018203 -0.006777 -0.004120 -0.000024 -0.004015 0.002635 0.005319 0.010764 0.007029 0.012250 0.019570 0.016232 0.005059 0.003773 -0.000629 0.001871 -0.004235 0.000267 -0.003360 0.000138 -0.002280 0.009288 0.001605 0.002735 -0.000432 -0.002140 0.005167 -0.048253 0.001943 -0.059835 0.174200 0.007020 0.060950 -0.154561 -0.003916 0.010444 -0.023704 0.000951 0.001175 -0.002461 -0.000255 -0.000094 -0.000458 -0.001615 -0.003117 0.003867 0.000629 0.001057 -0.003506 0.001052 0.000700 0.001496 -0.000902 -0.000699 -0.000978 0.004867 0.002144 -0.004420 -0.014808 0.001889 -0.003702 0.013942 0.003726 -0.002172 -0.006243 -0.028762 0.032572 0.290801 -0.577967 -0.040349 -0.305897 0.413490 0.317970 -0.021858 -0.064569 0.376807 0.000751 -0.000251 0.002067 -0.002650 -0.000876 0.003330 -0.000615 0.000372 -0.002255 0.000625 0.000474 0.000211 0.002335 0.000734 0.002025 -0.000408 0.001628 0.002048 0.002177 -0.006150 0.011444 0.110226 0.043625 0.015147 -0.154820 0.023589 0.009326 0.014297 0.016841 0.006309 -0.021313 -0.056324 -0.019905 0.105675 0.001307 -0.000762 0.060939 0.026009 0.005457 -0.047525 -0.027853 -0.007676 -0.021738 -0.029450 -0.004241 0.050691 0.023666 -0.033070 0.030356 0.045469 0.072031 -0.152198 -0.176929 0.263302 -0.012957 0.074796 -0.277258 -0.055853 -0.031459 -0.134468 0.074360 0.086522 0.072345 -0.146682 -0.047290 -0.016343 0.110213 -0.010308 -0.040546 0.110196 -0.033930 0.024150 0.201927 0.046179 0.019100 0.056071 0.127568 0.083509 0.054500 0.149519 0.001456 0.120356 -0.193100 -0.064496 0.020444 -0.091965 0.413376 0.090347 0.168169 -0.041083 0.152963 0.108576 -0.337960 -0.104123 -0.109231 -0.100901 0.020051 0.027429 0.154658 0.113486 0.039409 0.181528 -0.030854 0.028296 0.008357 -0.186693 -0.083220 -0.028785 0.266809 -0.029336 -0.012143 0.004876 -0.019075 -0.009635 0.035637 0.051830 0.019008 -0.216042 0.037696 0.025694 0.015129 -0.070143 -0.027913 -0.013773 0.039736 0.012521 0.055485 0.013601 0.009478 0.026303 0.037405 -0.049954 0.008482 0.007983 0.013259 -0.082449 -0.088724 0.135764 -0.016943 0.030988 -0.140616 0.031373 0.010693 0.071214 -0.020341 -0.038639 -0.033964 0.284607 0.084694 0.028425 -0.229998 0.035908 0.080111 -0.225747 0.079506 -0.038993 -0.554066 -0.103587 -0.111827 -0.034590 0.043074 0.001168 -0.036104 0.029364 0.022918 -0.061424 0.089751 0.031270 0.002430 -0.065820 0.272269 0.058684 0.097023 -0.007208 0.096517 0.066294 -0.195889 0.047266 0.080813 0.073642 -0.013869 -0.024438 -0.047565 -0.013015 0.034687 0.026691 0.034903 0.165481 0.060264 0.075774 0.035708 0.011934 -0.108184 0.007301 0.003628 -0.017342 0.006856 0.002438 -0.017687 -0.005579 -0.001783 0.103158 -0.024333 -0.009463 -0.036658 0.036003 0.005392 0.024738 -0.016444 -0.001753 -0.017820 0.001775 0.002935 0.024853 0.070100 -0.079704 -0.032688 -0.044817 -0.064062 -0.045199 -0.041242 0.064737 -0.013818 0.002678 -0.061629 0.138448 0.062232 0.312412 -0.126551 -0.196693 -0.151706 -0.116076 -0.033302 -0.010563 0.107424 -0.019792 -0.035436 0.103911 -0.038887 0.014548 0.305669 0.077497 0.034390 -0.003900 -0.049230 -0.027409 0.010078 -0.087907 -0.026792 -0.006119 0.014395 -0.001282 -0.008135 -0.038782 0.175101 0.013100 0.034605 0.061256 0.044002 0.033497 -0.100852 0.254202 0.353024 0.336801 -0.080738 -0.095193 -0.344439 -0.169698 0.057939 -0.164509 -0.008785 -0.177702 -0.066680 -0.001003 0.045620 -0.127464 0.000928 -0.021160 0.057639 -0.000408 0.000291 -0.000820 -0.000123 -0.000300 0.003410 -0.000231 0.000638 -0.001949 -0.000323 -0.000864 0.002620 0.000035 0.000883 -0.002814 0.000340 0.000053 -0.000168 0.000110 0.000024 0.000050 -0.000026 -0.000058 -0.000024 -0.000080 -0.000081 0.000134 -0.000070 0.000047 -0.000138 -0.000144 -0.000089 -0.000242 0.000100 0.000310 0.000052 0.001162 -0.102184 0.286265 0.632865 0.066941 0.194673 -0.631069 -0.177214 0.111508 0.001438 0.005008 -0.010778 0.004616 -0.007420 -0.001132 -0.004950 0.005753 0.003785 0.000180 -0.003431 0.011176 0.000010 -0.000272 0.000589 0.000156 0.000188 -0.000156 0.000226 0.000034 -0.000192 -0.000549 -0.000789 -0.000902 0.000327 0.000158 0.000984 0.000355 -0.000192 0.000591 0.000300 -0.003054 -0.007017 0.030070 0.037450 0.012348 -0.047531 0.015250 0.006123 0.060031 -0.010358 -0.005202 0.039390 -0.081882 -0.029259 -0.054137 0.006086 0.005785 0.037519 -0.021527 -0.007174 -0.019550 0.013667 0.003899 -0.003045 0.000063 -0.000063 -0.010072 0.003448 -0.005269 0.004578 0.001407 0.002772 0.004323 0.003926 -0.009882 0.007693 -0.000355 0.012131 0.009818 0.005282 0.014119 -0.008654 -0.021015 -0.000398 -0.250872 -0.063008 -0.019387 0.075889 -0.022897 -0.025194 0.068439 -0.036051 0.005827 -0.291820 -0.112670 -0.064881 0.003468 0.051890 0.026126 -0.000590 0.060554 0.011667 0.017314 -0.021740 -0.004844 0.002377 0.020773 -0.060214 -0.020160 -0.020073 0.008948 -0.025705 -0.013102 0.032285 0.047495 0.059073 0.069339 -0.009346 -0.002322 -0.061212 -0.029375 0.013963 -0.047837 -0.028348 0.820711 0.293412 0.000260 0.000233 0.000125 -0.000446 0.000092 0.000040 0.000056 -0.000442 -0.000223 0.000349 0.000422 0.000161 -0.000484 -0.000499 -0.000035 -0.002304 0.000164 -0.000412 0.001157 -0.000056 0.000352 -0.000425 0.001038 -0.000511 0.003094 0.000754 -0.002291 -0.001584 0.000082 -0.000406 -0.001849 -0.004670 0.008112 -0.004527 0.001694 -0.007241 0.053889 -0.017136 -0.016754 -0.118815 0.041148 0.044822 -0.001397 -0.000321 -0.000162 0.000188 -0.000146 -0.000300 0.000441 -0.000224 0.000113 0.006254 0.003582 0.000171 -0.001815 -0.001691 -0.001915 -0.000278 -0.003688 -0.000438 -0.001060 0.002363 -0.000261 -0.000852 -0.013426 0.030565 0.011108 0.011947 -0.010303 0.012539 0.001211 -0.010584 0.305533 -0.093364 -0.059464 0.462557 0.278558 0.343994 -0.195745 -0.392518 -0.518446 0.000286 0.001383 0.000455 0.000881 0.001348 0.000504 -0.001496 0.000074 0.000027 0.000696 -0.000894 -0.000328 0.000980 -0.000306 -0.000130 -0.000802 -0.000618 -0.000396 -0.003196 0.000079 0.000522 0.001412 0.000152 -0.000246 -0.000578 0.000450 0.000594 0.003045 0.000807 -0.001207 -0.000308 -0.000901 -0.001610 0.031451 -0.047136 -0.013679 -0.075616 0.104323 0.032949 -0.000869 0.001777 0.004062 0.000502 -0.003360 -0.002237 -0.007943 -0.001773 -0.000646 0.002848 -0.001271 -0.001402 0.003164 -0.001822 0.000195 0.005239 0.002052 0.002091 -0.001212 -0.003784 -0.002542 -0.002016 -0.004038 0.000413 -0.000726 0.001782 0.001410 0.053072 -0.367653 0.132523 0.189274 0.179401 -0.692631 0.115493 -0.322508 0.396794 0.000608 0.006747 0.006491 -0.007877 -0.005200 -0.011686 0.000365 0.008208 0.005597 0.000046 0.011993 0.004261 -0.004567 0.035267 0.012822 0.002371 -0.019749 -0.007139 -0.001382 -0.013792 -0.004925 0.010596 0.009831 0.003428 -0.011977 -0.001709 -0.000622 -0.025621 -0.004917 -0.002143 0.008665 0.003083 0.001392 0.012403 0.003527 0.000201 0.000051 0.013613 -0.002446 -0.012990 -0.020345 -0.025869 0.034983 0.028599 -0.010973 -0.047038 -0.033347 -0.000959 0.013788 -0.047774 0.089356 -0.008414 0.080403 -0.098843 -0.200950 -0.035312 -0.012431 0.095460 -0.054889 -0.043774 0.097461 -0.069602 -0.001891 0.013483 0.010951 0.006832 -0.014278 -0.018208 -0.016809 -0.011754 -0.028130 0.001541 -0.012872 0.023940 0.006876 -0.038843 -0.066363 0.267695 0.106809 0.082217 0.023059 0.129551 0.087368 -0.161062 -0.293817 -0.327382 -0.448944 0.066644 -0.029951 0.426651 0.162191 -0.130045 0.328861 0.005162 0.091433 0.032274 0.003003 -0.013012 -0.004720 -0.002681 0.008598 0.003129 0.001038 0.004515 0.001372 -0.002365 -0.005808 -0.001987 0.002893 0.000434 0.000980 0.007232 0.001135 -0.001470 -0.002550 -0.000695 0.000437 -0.003444 -0.000584 0.000003 0.013386 0.015645 -0.021920 0.005132 0.008188 0.008014 -0.087271 -0.063117 0.011769 0.106010 0.072909 0.011752 0.013706 -0.026182 0.055415 -0.010077 0.036490 -0.050861 0.072407 0.012001 0.004158 -0.035952 0.021531 0.017000 -0.036043 0.027290 0.000636 -0.003480 -0.000833 -0.005951 0.002528 0.009518 0.005196 0.004057 0.004947 -0.002201 0.003098 -0.005797 -0.002131 0.088332 0.139527 -0.589762 -0.259736 -0.200427 -0.027970 -0.309128 -0.218288 0.396036 -0.123567 -0.147120 -0.206922 0.053195 -0.006594 0.224770 0.074948 -0.068607 0.158895 -0.002591 -0.008220 -0.003398 -0.047986 0.123533 0.044822 0.052661 -0.097376 -0.035369 -0.013412 -0.034665 -0.011947 0.006405 0.074128 0.026394 -0.025155 0.008424 0.003044 -0.019855 -0.014886 -0.005013 0.009340 0.005209 0.001542 0.013905 0.004606 0.002251 0.006826 -0.004260 0.000516 0.003615 0.007271 0.008224 -0.025825 -0.018433 0.011096 0.024730 0.018297 -0.005760 -0.007894 0.011024 -0.029421 0.005716 -0.012523 0.026330 -0.673287 -0.102268 -0.035673 0.342059 -0.219661 -0.173213 0.346512 -0.278112 -0.008092 -0.001923 0.023275 0.008769 -0.016896 -0.014126 -0.018852 -0.015639 -0.022807 0.007571 -0.022553 0.036762 0.011727 0.021236 0.031579 -0.124877 -0.057257 -0.041962 -0.006613 -0.066408 -0.041545 0.074718 0.059185 0.061809 0.090009 -0.011370 0.009992 -0.085583 -0.030020 0.029409 -0.064678 0.030052 -0.156145 -0.055745 0.022967 -0.018896 -0.006698 -0.019292 0.036780 0.013292 -0.064606 -0.082825 -0.027647 0.064167 0.037394 0.012603 -0.088283 -0.046409 -0.019799 -0.172116 -0.038059 -0.013359 0.036629 0.007248 0.003836 0.141171 0.005063 0.002955 0.020933 0.013988 0.029847 -0.018572 -0.031513 -0.040197 -0.029032 -0.013693 0.016009 0.011233 0.010377 -0.015251 -0.014784 0.012919 -0.036031 0.009965 0.002373 0.019660 0.019544 -0.019289 -0.006887 -0.071293 0.058106 0.045743 -0.070692 0.073925 0.001890 0.701140 0.358462 0.177678 -0.111476 -0.040744 -0.098116 -0.097452 -0.095277 0.056756 -0.038280 0.077270 0.016747 0.012183 0.004702 -0.014077 -0.030281 -0.017029 0.008932 -0.030840 -0.013540 0.018997 0.009166 0.000629 0.016765 -0.012384 0.008171 -0.047558 -0.007624 0.017013 -0.028127 0.032277 0.392899 0.138103 -0.021967 0.004676 0.001857 0.017612 -0.021752 -0.007916 0.017223 0.071800 0.026209 -0.028561 -0.042096 -0.014986 0.022861 0.074712 0.022481 0.138550 -0.107767 -0.035536 -0.005615 -0.020095 -0.005439 -0.104277 0.000404 -0.004994 0.114693 0.164490 0.207224 -0.157315 -0.290178 -0.324163 -0.041147 -0.034023 -0.012447 0.023322 0.020502 -0.040438 -0.017901 0.008297 -0.069538 0.018462 0.017114 0.027321 0.068801 0.035887 0.012494 0.079109 -0.042580 -0.010366 0.079114 -0.039166 -0.019259 -0.107634 -0.012691 0.021591 0.030195 0.267933 0.065176 0.034665 0.262458 0.106060 -0.232488 0.224070 0.074921 0.028260 -0.025767 0.275284 -0.124286 -0.056252 0.201696 -0.177200 -0.182898 0.217081 -0.075981 -0.084548 -0.070299 -0.104799 -0.012021 -0.129786 -0.030568 -0.039752 -0.162925 -0.026288 -0.054291 -0.017903 0.000517 0.001235 0.000502 -0.002156 -0.001594 -0.000496 0.016346 0.004791 0.001052 -0.001325 -0.001530 -0.000489 0.009100 -0.042351 -0.013234 -0.085787 0.110810 0.037627 -0.037408 0.066932 0.023446 0.056499 -0.018456 -0.006182 0.017545 0.021359 0.027033 -0.019450 -0.033462 -0.038093 -0.012119 -0.007391 0.002883 0.005292 0.004888 -0.009510 -0.006378 0.002818 -0.016401 0.003785 0.002866 0.007143 0.002632 0.002166 0.000497 -0.000679 -0.004206 -0.006625 -0.000571 -0.007145 0.002484 -0.303182 -0.218454 -0.081509 0.148822 -0.510839 0.049839 0.141550 -0.377015 -0.349184 0.343420 -0.326160 -0.121925 0.005812 -0.001028 0.040441 -0.021181 -0.009821 0.021365 -0.033819 -0.022481 0.027954 -0.005204 -0.009990 -0.005066 -0.002928 0.006050 -0.017044 -0.003430 0.006583 -0.014188 0.000871 -0.015277 -0.005153 0.013822 -0.002209 -0.000886 0.007386 0.010451 0.003667 -0.037451 -0.054525 -0.018648 0.018851 0.030160 0.010572 -0.037685 0.014312 0.003394 0.116864 -0.095111 -0.031084 -0.080822 0.068901 0.026045 -0.064726 0.017430 0.005004 -0.007109 -0.004263 -0.006688 0.004058 0.005447 0.007090 0.007443 0.003423 -0.003625 -0.003020 -0.002932 0.004988 0.004530 -0.002417 0.008854 -0.001778 -0.001338 -0.004475 -0.089084 -0.038687 -0.013515 -0.088607 0.027713 -0.009475 -0.089050 0.015209 0.025543 0.334756 0.217972 0.084649 0.438726 -0.295361 0.307182 0.426381 -0.031160 -0.441755 -0.031334 0.040065 -0.002698 -0.004452 0.003583 -0.014634 0.012624 0.007374 -0.000463 0.015910 0.002191 -0.004615 -0.004081 0.005266 0.001237 -0.005485 -0.007254 0.008293 -0.000063 -0.007776 -0.001711 0.016949 0.036889 0.012784 0.093207 0.001424 0.000116 -0.003363 0.034431 0.012417 0.037180 -0.129337 -0.046675 0.009716 0.060310 0.021489 -0.018986 -0.002951 0.000174 0.035685 0.044434 0.014134 0.005374 -0.022014 -0.008673 -0.007428 -0.006293 -0.002402 0.002009 0.009132 0.008209 -0.005989 -0.012264 -0.012791 0.001418 -0.000005 -0.003092 0.001106 0.000536 -0.003151 0.001129 -0.001044 0.000227 0.000829 0.000468 -0.000534 -0.478088 -0.199554 -0.069095 -0.502866 0.141422 -0.100542 -0.501462 0.043633 0.170455 -0.182079 -0.090272 -0.037860 -0.082386 0.110874 -0.045002 -0.087562 0.044685 0.103342 0.026191 -0.048278 -0.000279 -0.000071 0.002556 0.031251 -0.005462 -0.000243 0.023463 -0.016599 -0.021692 0.023779 -0.011613 0.000978 -0.000731 -0.009752 -0.006165 0.001777 -0.002390 -0.005860 -0.013846 0.024346 -0.164993 -0.058941 0.002013 0.001005 -0.000206 -0.000847 0.000241 -0.000105 0.006748 0.001501 0.002337 -0.002817 -0.001533 -0.000612 -0.001444 0.011914 -0.000273 0.013603 -0.027524 0.014483 0.001105 0.002957 0.053139 -0.005382 0.001993 0.000111 -0.000308 0.000760 -0.000889 0.000089 -0.000321 -0.000070 -0.000294 -0.001059 0.001174 -0.000477 -0.001720 0.002657 0.000992 0.000197 0.002174 0.000599 0.001504 0.000065 -0.005548 -0.001815 -0.000913 -0.007768 -0.001653 -0.007642 -0.014686 -0.006042 0.006256 0.018643 0.027456 -0.003961 -0.298219 -0.416252 -0.230847 0.130771 0.377136 0.116902 0.065269 0.147415 -0.690827 -0.004019 0.011627 -0.014287 0.010726 0.003485 -0.019608 -0.000221 0.013431 -0.012049 0.001287 -0.001829 -0.002357 -0.020074 -0.009502 -0.004321 0.002276 -0.020531 -0.008506 -0.001777 -0.015155 -0.003254 0.000347 0.002611 0.001101 -0.006100 0.001585 0.000622 0.026470 0.005560 0.001600 -0.010447 -0.004516 -0.001553 -0.014078 0.048420 0.017008 0.078583 -0.105666 -0.042301 -0.009585 0.107287 0.021428 -0.031699 0.010257 0.003524 -0.003805 0.000868 -0.001456 0.000957 -0.001052 -0.000392 0.002722 0.000801 -0.001488 -0.003047 -0.002597 0.003385 0.003950 -0.000626 0.005057 0.005003 0.002692 -0.002189 0.018421 0.009040 0.003154 -0.002133 -0.013730 -0.019425 -0.000248 -0.022887 0.005993 0.148149 0.142738 0.056494 -0.338733 -0.040027 -0.214744 -0.438126 -0.385920 0.126617 0.446212 -0.421878 0.040442 -0.006231 0.011515 -0.024235 0.020591 0.014218 0.003608 0.021727 -0.002226 -0.002506 -0.042679 0.025277 0.017011 -0.053378 -0.040723 0.034229 -0.003134 -0.044750 -0.053927 -0.006100 -0.054444 -0.019929 -0.004410 -0.005097 -0.001820 -0.001035 -0.000120 -0.000048 -0.006105 -0.006646 -0.002318 0.002868 0.003689 0.001309 0.000389 -0.004820 -0.001416 -0.001472 0.008068 0.002985 0.000415 -0.003872 -0.001093 0.003451 -0.001705 0.000554 -0.011432 -0.005506 -0.022268 0.009677 0.016641 0.020752 0.009280 0.009017 -0.012303 0.006169 0.014912 -0.038280 0.020197 0.002614 0.042369 0.045588 0.024737 0.059403 -0.009092 -0.005590 -0.001917 0.038275 0.027535 0.054428 0.037953 0.055858 -0.024851 0.001950 -0.002768 -0.004225 0.006326 -0.000161 0.003151 0.009056 0.010195 -0.000989 -0.007340 0.005983 -0.003929 0.021785 -0.050966 0.230740 -0.075071 -0.003746 0.238554 -0.065473 -0.201356 0.192189 -0.385986 -0.295692 -0.228314 -0.299980 -0.072828 -0.276839 -0.112132 -0.108262 -0.539853 0.002253 0.007594 0.002681 -0.004948 -0.006671 -0.002390 -0.001727 -0.000103 -0.000038 -0.005444 -0.007938 -0.002756 0.002545 0.004251 0.001496 -0.000323 -0.000268 -0.000285 0.007963 -0.002683 -0.000486 -0.000404 0.003482 0.003215 -0.001760 0.001551 0.000205 -0.014580 -0.017306 -0.001232 0.007603 0.013559 0.014102 0.024541 0.023032 -0.030745 0.017064 0.025622 -0.070024 -0.008183 -0.002317 -0.019272 -0.021772 -0.022371 -0.031486 -0.016726 -0.009272 -0.003158 0.046647 0.038031 0.071511 0.046240 0.074798 -0.031455 0.021335 0.012564 0.003781 -0.030477 -0.015928 -0.020667 -0.014120 0.002834 0.013509 0.022944 -0.013122 -0.031111 0.036817 -0.066283 0.471166 -0.142233 -0.016457 0.420336 -0.182939 -0.367355 0.366723 0.126300 0.160842 0.128700 0.229952 0.064109 0.174449 0.030462 0.158125 0.258241 0.002145 0.003465 0.001214 0.014542 0.049754 0.017809 0.003564 0.008020 0.002878 0.015287 0.033397 0.011816 -0.006819 -0.017944 -0.006364 -0.013718 -0.004739 -0.001642 -0.015999 -0.006828 -0.002291 0.000114 -0.000634 -0.000101 0.011581 0.000707 0.000363 -0.004099 -0.003509 -0.003361 0.003172 0.004888 0.005276 0.003531 0.004059 -0.004747 0.000944 0.004776 -0.012285 0.000925 -0.000102 0.002092 0.001238 -0.002030 0.001702 0.273001 0.129240 0.044168 -0.225722 -0.332289 -0.523096 -0.224356 -0.588302 0.195281 0.051196 0.030499 0.013023 0.021628 -0.002388 0.014803 0.020928 0.006210 -0.014944 -0.023398 0.023310 0.008311 0.006281 -0.015794 0.064798 -0.018513 0.004856 0.086616 -0.008217 -0.071445 0.064998 -0.026973 -0.011093 -0.007534 0.014954 0.008965 -0.005801 -0.010591 0.027588 -0.017550 -0.006157 0.026259 0.009322 -0.002308 0.000903 0.000532 -0.000288 0.000486 0.000205 -0.002473 -0.001886 -0.000638 0.001653 0.001392 0.000472 -0.001859 -0.007203 -0.002581 -0.005640 0.012552 0.004668 0.000705 -0.008535 -0.002800 0.004175 -0.001088 -0.000445 -0.000182 -0.002431 0.001632 0.000111 0.000743 0.000556 0.001162 0.000330 -0.000576 0.003037 -0.002427 -0.005238 0.003312 0.007130 -0.015751 0.028106 0.028623 -0.035502 0.019196 0.009132 0.000660 0.009426 -0.012205 -0.009068 0.007173 -0.012622 -0.000302 -0.004282 -0.009772 -0.002664 0.025875 0.010214 0.016904 0.025251 0.020385 -0.008110 -0.028415 0.022056 0.007137 -0.012059 0.050567 0.048587 0.023369 0.015137 -0.000784 -0.055324 -0.023674 0.031587 -0.081536 0.400837 0.297878 -0.392823 -0.355194 0.459341 0.074332 -0.452719 -0.152398 0.001512 0.007370 0.002911 0.000366 0.001504 0.000505 -0.000112 0.000662 0.000234 -0.001125 -0.000195 -0.000117 0.000235 -0.000120 -0.000033 -0.000086 0.001134 0.000566 0.003127 -0.003925 -0.001726 -0.000547 0.002713 -0.000068 -0.001693 0.000875 0.000534 -0.003562 -0.003277 -0.005053 0.002709 0.004198 0.006102 0.014595 0.000252 -0.000637 0.050841 -0.019087 0.007969 0.000309 0.001300 0.005147 -0.005408 0.007213 0.006088 0.010904 0.004711 0.001943 -0.006149 -0.010936 -0.016463 -0.005707 -0.019214 0.005718 0.012009 0.008842 0.002045 -0.002840 0.003871 -0.001035 -0.009926 -0.011401 0.000745 0.007758 -0.009403 0.009257 -0.025914 0.197276 0.431081 -0.097493 -0.172105 -0.442070 -0.662165 0.240035 -0.067808 0.094355 -0.063415 -0.050948 -0.044894 0.010295 -0.097662 0.022846 -0.068056 0.041902 -0.000022 0.003273 0.000949 -0.000543 0.000214 0.000083 -0.000233 0.000198 0.000074 -0.000017 -0.000540 -0.000196 0.000201 0.000309 0.000110 -0.000528 -0.000922 -0.000259 -0.000750 0.001376 0.000397 0.000165 -0.000077 -0.001009 0.001263 -0.000172 -0.000352 -0.000469 -0.000204 -0.001905 0.000942 0.001678 0.001920 -0.005515 -0.008197 -0.001247 -0.015129 -0.029249 -0.017841 -0.003770 0.005989 0.003457 -0.022248 0.031891 0.011568 0.004434 0.001913 0.000732 0.001990 -0.002388 -0.001714 0.002117 -0.002990 -0.000221 0.000138 -0.000648 -0.000011 0.003141 0.005852 0.002288 -0.003963 -0.006388 -0.000403 0.000744 -0.004181 0.010493 -0.126724 0.409074 -0.039194 0.374777 0.278958 0.105934 -0.003153 -0.216873 0.178019 0.420180 -0.143938 -0.120953 -0.203197 -0.006934 -0.273287 0.121857 -0.334690 0.220295 0.000276 0.000509 0.000130 0.001487 0.000488 0.000103 0.000551 0.000005 -0.000007 -0.000590 0.000936 0.000305 -0.000328 -0.000838 -0.000290 0.001719 0.002510 0.000945 0.000936 -0.003713 -0.001392 -0.000405 0.002704 0.000588 0.000088 -0.000319 0.000038 -0.004962 -0.002117 -0.000794 0.002305 0.002455 0.002764 0.007208 0.012764 -0.003051 0.006482 0.041828 0.001699 -0.003128 0.006406 0.000485 -0.018586 0.032733 0.007263 -0.003064 -0.001585 0.000273 -0.009466 -0.001335 -0.006840 -0.008676 -0.006216 0.004336 -0.002065 0.000645 -0.000188 -0.003594 -0.003314 -0.002368 -0.005906 -0.009007 -0.000794 0.007840 -0.006901 0.001778 0.149547 -0.499550 0.019625 -0.401400 -0.253483 0.090256 0.142319 0.091420 -0.096904 0.392385 -0.095073 -0.083538 -0.227719 -0.040354 -0.211953 0.123357 -0.359344 0.198153 -0.000638 0.000900 0.000195 -0.000184 0.018109 -0.050327 0.000028 0.003559 -0.010103 -0.000089 0.000749 -0.001405 -0.000008 -0.000366 0.000763 0.000083 -0.000176 0.000523 -0.000132 0.000040 -0.000253 0.000016 -0.000113 0.000415 0.000024 0.000019 -0.000000 0.000004 -0.000031 0.000025 -0.000005 0.000014 -0.000000 0.000000 0.000007 -0.000019 -0.000021 -0.000057 -0.000009 -0.000001 0.000019 -0.000097 0.000133 0.000067 -0.000101 0.002820 -0.237375 0.664065 -0.323472 0.328295 0.190368 0.323686 -0.375553 -0.062627 0.000086 -0.000393 0.001141 -0.000857 -0.000220 -0.000209 0.001288 0.000119 -0.000565 -0.000165 0.000829 -0.002088 -0.000195 0.000616 -0.000013 0.000552 0.000388 0.000141 -0.000058 -0.000290 0.000255 -0.000831 0.001462 0.001124 -0.001075 -0.001157 0.001841 0.000084 -0.001083 -0.000828 -0.000260 0.011811 -0.033692 -0.073655 0.007622 0.002938 -0.060409 0.074330 0.026970 -0.052845 -0.257208 -0.091624 0.056112 0.105746 0.037384 -0.031359 -0.058636 -0.019446 0.139122 0.124669 0.041434 -0.009693 -0.030017 -0.008878 -0.049927 -0.011454 -0.004544 0.001845 0.010609 0.007282 -0.006915 -0.012288 -0.011833 0.002024 -0.001375 -0.001162 -0.001822 -0.001463 0.007402 0.001780 -0.003413 0.002875 -0.003602 -0.001618 -0.001391 0.566317 0.232992 0.082140 0.355915 -0.222475 -0.054605 0.356576 -0.206649 -0.101191 -0.072186 -0.089295 -0.036212 -0.088953 0.092342 -0.045060 -0.077268 0.066257 0.100219 0.101153 -0.135451 -0.060756 0.001296 -0.013211 -0.033783 -0.003088 -0.007779 -0.022217 0.021436 0.028234 -0.027514 0.016912 -0.014475 -0.013193 0.017003 0.015304 -0.021381 -0.000040 0.013371 0.018197 0.061656 0.091035 0.031837 -0.030282 0.010140 0.003797 -0.144490 0.079350 0.029228 0.451844 -0.107289 -0.041895 -0.073843 0.015414 0.005972 -0.151032 0.074856 0.027829 -0.117839 -0.134315 -0.044244 -0.008001 0.015392 0.005777 0.077314 0.012031 0.004107 -0.006670 0.000616 -0.001294 0.005329 0.002091 0.001882 0.000774 0.002081 -0.000320 0.000722 0.000387 -0.000609 0.000909 0.001176 0.001503 -0.000423 -0.000250 -0.000851 0.183174 0.096494 0.034194 0.235620 -0.027681 0.083660 0.236022 0.031744 -0.083677 -0.158921 0.094753 0.033658 0.157422 -0.000261 0.118484 0.152575 0.070349 -0.105647 -0.161184 0.175825 0.060349 0.001554 -0.004755 0.012196 -0.008655 -0.005226 0.003332 -0.008997 -0.001753 0.003614 0.001216 -0.000573 -0.001155 -0.003483 -0.001353 -0.002456 0.000426 -0.002377 0.001686 -0.022501 -0.543014 -0.192902 0.004037 -0.004454 -0.001774 -0.018391 0.061710 0.022156 -0.158093 -0.187818 -0.065740 0.026474 0.034587 0.012248 0.324343 0.259805 0.087897 -0.193335 -0.235628 -0.077498 0.026714 0.048292 0.014356 0.012124 0.018719 0.007472 0.010450 -0.014310 -0.004183 0.001658 0.011092 0.009466 -0.008546 -0.002621 0.004703 0.001199 0.001928 -0.006695 -0.006028 0.005571 -0.010058 0.004527 0.002109 0.004265 0.157758 0.045984 0.015670 -0.001122 -0.062027 -0.059661 -0.002361 -0.085646 0.006920 -0.645334 -0.248989 -0.111669 0.040467 -0.115864 -0.006135 0.034463 -0.103485 -0.067092 -0.119216 0.188937 0.070449 -0.000063 0.011595 0.004701 0.010166 0.010573 0.005685 -0.002690 -0.013089 0.008342 -0.014095 0.009316 0.011982 -0.005714 -0.007586 0.019625 0.000496 -0.003415 -0.013561 -0.001505 0.144454 0.051800 0.040544 0.024444 0.008563 0.001511 -0.000786 -0.000286 -0.000614 0.002263 0.000811 0.000363 -0.000467 -0.000169 0.000098 -0.000073 -0.000022 -0.000144 -0.000024 -0.000008 0.000232 -0.000090 -0.000051 0.000055 -0.000019 -0.000007 -0.000027 0.000013 -0.000001 0.000013 -0.000007 -0.000004 0.000010 0.000006 -0.000005 -0.000001 0.000006 -0.000009 0.000008 -0.000005 0.000012 0.000006 0.000010 0.000008 -0.117104 0.297250 0.106730 -0.188617 -0.479969 0.420040 -0.192057 -0.104957 -0.627505 0.001656 -0.001418 -0.000532 -0.001742 -0.000518 0.002033 -0.001722 0.000645 -0.001705 0.000688 0.000413 0.000117 -0.000254 -0.000064 -0.000003 0.000138 -0.000211 0.000031 0.000040 0.000198 0.000199 0.000006 0.000178 -0.000201 0.000135 -0.000243 -0.000078 -0.000318 -0.000056 0.000102 -0.009203 -0.007554 -0.002623 0.000017 0.000009 -0.000002 -0.000018 0.000008 0.000004 0.000048 0.000001 0.000003 -0.000005 -0.000008 -0.000006 -0.000024 -0.000078 -0.000039 0.000076 0.000008 0.000066 0.000025 -0.000036 -0.000074 -0.000279 0.000010 0.000038 0.000655 0.000500 -0.000248 -0.000187 -0.000108 -0.000109 -0.001046 -0.000850 0.001080 0.006354 -0.020211 0.036943 0.000182 -0.000095 0.000740 0.004026 0.011555 0.009623 -0.000033 0.000066 0.000038 -0.000078 -0.000172 0.000149 -0.000039 -0.000024 -0.000074 -0.000326 0.000670 0.000302 -0.000613 -0.000158 0.000951 -0.000375 0.000223 -0.000314 0.000518 0.000363 0.000201 0.396121 0.103709 0.003887 -0.375513 0.519091 -0.075167 -0.091654 -0.377911 -0.384362 0.001950 0.097578 -0.112122 0.118218 -0.205638 -0.059332 -0.172117 -0.032288 0.051392 -0.000078 -0.000021 0.000025 -0.000047 -0.000012 -0.000007 0.000054 -0.000034 -0.000012 -0.000132 0.000007 0.000003 0.000004 0.000017 -0.000001 -0.000014 0.000241 0.000088 -0.000251 -0.000089 0.000006 -0.000655 0.000920 0.000361 0.000401 -0.000288 0.000017 -0.000296 0.000378 -0.000605 0.000137 -0.000000 0.000301 0.000145 0.000034 -0.000306 -0.002247 0.007227 -0.013430 0.000753 0.000050 0.001524 0.011566 0.032271 0.026619 0.000087 -0.000172 -0.000054 0.000121 0.000243 -0.000185 0.000138 0.000081 0.000340 0.000833 -0.002086 -0.000820 0.008276 0.001957 -0.012241 0.008458 -0.005181 0.010142 -0.008517 -0.007449 -0.002127 -0.143596 -0.037646 -0.001242 0.135306 -0.187116 0.027335 0.033300 0.136853 0.138930 0.005703 0.267882 -0.308076 0.326520 -0.568406 -0.164053 -0.479412 -0.090464 0.143972 0.000210 0.000034 0.000004 -0.000156 -0.000244 -0.000084 0.000195 0.000115 0.000041 -0.000559 -0.000148 -0.000058 0.000025 0.000203 0.000070 0.001015 0.000133 0.000032 -0.000447 0.000744 0.000191 0.032356 -0.037282 -0.015743 -0.000499 0.000230 0.000091 0.000045 -0.000014 -0.000022 -0.000013 0.000015 0.000015 -0.000011 -0.000008 -0.000005 -0.000073 0.000186 -0.000386 -0.000005 0.000015 0.000018 0.000271 0.000747 0.000636 -0.000399 0.000746 0.000269 0.001057 0.002186 -0.001748 0.001024 0.000578 0.002652 -0.002374 0.001856 0.000822 -0.355702 -0.089844 0.533683 -0.361242 0.220767 -0.437704 0.336316 0.293334 0.085643 -0.003826 -0.000972 -0.000040 0.003724 -0.005058 0.000762 0.000965 0.003878 0.003957 0.000125 0.006257 -0.007199 0.007640 -0.013162 -0.003788 -0.011107 -0.002057 0.003328 0.001121 0.000221 0.000071 0.000005 0.000927 -0.002658 0.000004 0.000073 -0.000151 0.000012 0.000014 -0.000044 0.000000 -0.000037 0.000107 -0.000031 0.000107 -0.000255 -0.000046 -0.000185 0.000901 0.000891 -0.030769 0.086009 -0.000011 -0.000059 0.000221 -0.000002 -0.000017 0.000050 0.000001 0.000007 -0.000005 -0.000006 0.000012 -0.000025 -0.000055 0.000038 0.000039 0.000008 -0.000005 -0.000008 0.000189 -0.000065 -0.000022 -0.000114 0.000513 -0.000613 -0.006081 -0.015269 0.012741 0.006198 0.003744 0.019519 0.000202 -0.000390 0.000023 0.398602 0.087058 -0.562533 -0.439771 0.258539 -0.495600 0.031165 0.022619 0.022850 0.000540 0.000185 -0.000018 0.000319 -0.000358 0.000021 -0.000138 -0.000504 -0.000532 0.000051 0.000403 -0.000492 -0.000660 0.001070 0.000276 -0.001694 -0.000406 0.000522 0.000001 0.000170 -0.000457 -0.000357 0.032634 -0.090949 0.000009 -0.000207 0.000570 -0.000005 -0.000075 0.000223 0.000001 -0.000066 0.000185 0.000001 0.000050 -0.000144 0.000000 0.000014 -0.000046 -0.000030 0.000914 -0.002570 0.000001 -0.000005 0.000011 -0.000000 0.000003 -0.000009 -0.000001 0.000000 0.000003 -0.000003 0.000000 -0.000000 0.000004 -0.000003 -0.000015 0.000005 -0.000002 0.000003 -0.000024 0.000004 0.000003 0.000389 0.006172 -0.020742 -0.197214 -0.516836 0.434300 0.200996 0.124597 0.662365 -0.000010 0.000058 -0.000084 -0.011852 -0.002590 0.016844 0.013046 -0.007745 0.014797 -0.000871 -0.000655 -0.000582 -0.000124 -0.000032 -0.000006 -0.000044 0.000041 -0.000009 0.000015 0.000107 0.000100 0.000013 -0.000023 0.000020 0.000086 -0.000124 -0.000040 0.000312 0.000069 -0.000098 -0.000034 0.001689 -0.004747 -0.000008 -0.000014 0.000018 0.000003 -0.000006 0.000003 -0.000037 -0.000008 -0.000002 0.000004 0.000008 -0.000005 0.000126 -0.000135 -0.000057 -0.000074 -0.000029 0.000032 -0.000088 -0.000071 0.000102 -0.000099 0.000042 -0.000001 0.000079 -0.000020 -0.000028 -0.000052 -0.000022 0.000094 -0.000323 0.000379 0.000313 0.037185 -0.080433 -0.033563 0.000056 -0.000050 -0.000045 -0.010970 0.006622 0.001789 -0.000003 -0.000020 0.000011 0.000046 0.000095 -0.000089 -0.000023 -0.000020 -0.000083 -0.001023 0.001784 0.000688 0.000711 0.000165 -0.000990 -0.000345 0.000197 -0.000292 0.000505 0.000527 0.000258 -0.165435 -0.063032 -0.007964 -0.403739 0.545602 -0.081642 0.132282 0.470420 0.484559 -0.002910 -0.021671 0.027169 0.042844 -0.076080 -0.020958 0.089709 0.019650 -0.027993 0.000058 -0.000004 0.000001 0.000023 -0.000006 0.000031 -0.000013 0.000008 0.000008 0.000085 0.000013 0.000008 -0.000003 -0.000015 -0.000007 -0.000165 0.000145 0.000049 0.000100 -0.000016 0.000045 0.000246 0.000051 0.000224 0.000051 -0.000125 -0.000029 -0.000039 0.000036 0.000114 -0.000008 -0.000007 -0.000046 0.000165 -0.000045 0.000048 -0.005372 0.011036 0.004495 0.000352 -0.000328 -0.000150 -0.079546 0.048191 0.013253 -0.000015 0.000055 0.000042 0.000024 0.000085 -0.000065 -0.000076 -0.000039 -0.000209 0.001104 -0.001869 -0.000658 0.000487 0.000024 -0.000468 -0.001499 0.000919 -0.001775 -0.001703 -0.001679 -0.000395 0.025078 0.009326 0.001087 0.056243 -0.076079 0.011369 -0.018009 -0.063588 -0.065333 -0.020967 -0.155734 0.195591 0.312878 -0.554659 -0.153304 0.647579 0.142339 -0.202341 -0.000146 0.000002 0.000010 -0.000001 0.000652 0.000239 -0.000054 -0.000057 -0.000012 0.000279 0.000274 0.000099 -0.000008 -0.000133 -0.000053 -0.000780 0.000991 0.000396 -0.001696 0.000291 0.000114 -0.082747 -0.041518 -0.014316 0.000523 0.000131 0.000012 0.000038 -0.000003 -0.000012 0.000003 0.000051 0.000035 0.000009 -0.000002 0.000004 -0.000102 0.000079 0.000006 -0.000006 0.000005 -0.000004 -0.000296 -0.000059 0.000257 0.002449 -0.005998 -0.002150 -0.000875 -0.001633 0.001396 -0.000923 -0.000402 -0.002185 0.005874 -0.008916 -0.003359 0.151754 0.034838 -0.246492 0.193528 -0.130257 0.243031 0.652377 0.581146 0.170885 0.000636 0.000223 0.000011 0.000791 -0.000983 0.000127 -0.000083 -0.000241 -0.000242 -0.000003 0.001635 -0.001851 0.000969 -0.001571 -0.000361 0.002700 0.000583 -0.000812 -0.000864 -0.000059 0.000001 -0.000015 -0.000014 0.000004 0.000017 -0.000011 -0.000001 -0.000054 -0.000005 0.000003 -0.000005 0.000007 0.000009 -0.000066 0.000184 0.000066 -0.000080 -0.000016 0.000010 -0.000078 -0.000062 0.000001 -0.000030 0.000011 -0.000025 -0.000053 -0.000153 0.000293 -0.000019 0.000048 -0.000105 -0.000433 -0.000011 -0.000357 0.085650 0.030105 0.026424 -0.000068 -0.000072 -0.000022 0.003603 0.008230 -0.007719 -0.000032 0.000079 0.000035 0.000031 0.000065 -0.000043 0.000015 0.000006 0.000039 0.001068 -0.001939 -0.000672 0.000194 0.000044 -0.000314 -0.000015 -0.000022 0.000040 0.000757 0.000689 0.000224 -0.846791 -0.227394 -0.010625 -0.101130 0.161380 -0.015889 -0.061374 -0.288477 -0.288589 -0.002093 -0.070819 0.081952 0.011586 -0.017390 -0.006373 -0.052149 -0.008908 0.015251 0.000111 -0.000005 0.000012 0.000004 0.000020 -0.000009 -0.000015 0.000006 0.000002 0.000045 0.000008 -0.000005 -0.000006 -0.000007 -0.000010 -0.000029 -0.000076 -0.000017 0.000092 0.000025 0.000008 -0.000257 -0.000127 -0.000049 -0.000049 -0.000044 0.000022 0.000195 0.000155 0.000205 -0.000019 -0.000060 0.000023 -0.000046 -0.000066 -0.000043 -0.010722 -0.003870 -0.003179 -0.000281 -0.000429 0.000141 0.030768 0.064657 -0.062041 0.000039 -0.000103 -0.000046 -0.000051 -0.000092 0.000064 -0.000006 0.000011 0.000015 -0.000269 0.000538 0.000146 0.000359 0.000095 -0.000666 0.000632 -0.000426 0.000822 0.002089 0.001766 0.000521 0.106442 0.028631 0.001317 0.012093 -0.019337 0.001840 0.007617 0.035662 0.035237 -0.016356 -0.561951 0.649937 0.085986 -0.127270 -0.047546 -0.435038 -0.075296 0.127956 -0.000081 0.000005 -0.000029 0.017855 -0.086032 -0.030970 0.000166 0.000489 0.000174 -0.001175 -0.000080 -0.000021 -0.000022 0.000118 0.000043 0.000035 0.000332 0.000120 -0.000035 -0.000055 -0.000018 -0.000673 -0.000193 -0.000091 0.000018 0.000008 0.000002 -0.000005 -0.000001 -0.000002 -0.000005 0.000004 0.000003 0.000003 -0.000002 -0.000002 -0.000012 -0.000010 -0.000003 -0.000001 -0.000001 0.000003 0.000004 0.000001 -0.000010 -0.331384 0.831493 0.298732 0.062959 0.154714 -0.148779 0.064646 0.025682 0.214305 0.001202 -0.002299 -0.000877 0.001960 0.000495 -0.002835 0.002565 -0.001485 0.002963 0.004120 0.003701 0.001086 0.000128 0.000028 -0.000001 0.000012 -0.000018 0.000000 0.000003 0.000029 0.000032 0.000000 -0.000065 0.000070 -0.000001 0.000014 0.000001 -0.000041 -0.000010 0.000013 0.000856 0.003153 0.001103 -0.000245 0.000087 0.000042 0.000926 -0.000240 -0.000076 0.002299 -0.000032 -0.000037 -0.000150 0.000043 0.000010 -0.043181 0.070969 0.026850 -0.000352 -0.002826 -0.000922 0.000986 -0.000073 -0.000031 -0.000832 0.000606 0.000262 0.000018 -0.000662 -0.000568 -0.000332 0.000844 0.000673 0.000139 0.000243 0.000086 -0.000119 -0.000375 -0.000013 0.000017 0.000132 0.000261 0.000112 -0.000195 -0.000174 0.001406 -0.002726 -0.000978 0.000193 0.000556 -0.000311 0.000259 0.000240 0.000607 0.497122 -0.806284 -0.308140 -0.003322 -0.001017 0.004601 -0.003464 0.001593 -0.004050 -0.006169 -0.006395 -0.001809 0.002196 0.000672 0.000080 -0.001284 0.001886 -0.000407 0.000102 0.001098 0.001329 0.000082 -0.000362 0.000588 -0.001064 0.002323 0.000838 -0.000428 -0.000002 0.000240 0.000099 -0.002026 -0.000851 0.001456 0.000037 0.000006 -0.000748 0.000890 0.000320 -0.002285 -0.000521 -0.000167 -0.061779 -0.005222 -0.001470 0.001581 0.001013 0.000345 -0.000743 -0.000819 -0.000266 -0.000146 0.000090 0.000040 0.000513 -0.000054 -0.000029 -0.000155 0.000104 0.000016 0.000053 -0.000048 -0.000026 0.000079 0.000022 -0.000035 -0.000026 -0.000022 0.000053 0.000063 -0.000036 0.000066 -0.000044 -0.000016 -0.000054 -0.001573 0.001153 0.000431 -0.003660 -0.002114 0.006401 -0.003657 0.002372 -0.006265 0.000127 0.000242 0.000086 0.000701 0.000383 -0.000497 0.000745 0.000007 0.000578 0.000037 0.000282 0.000085 0.000157 0.000035 -0.000013 -0.000068 -0.000021 -0.000011 -0.000053 -0.000027 -0.000063 0.000015 -0.000082 0.000116 -0.000032 0.000039 -0.000042 0.000144 0.000049 -0.000005 0.995533 0.067914 0.017864</matrix>
                  </module>
               </property>
               <property dictRef="cc:irspectrum">
                  <module cmlx:templateRef="irspectrum">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="78">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</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="78">17.56 31.05 60.74 66.40 86.88 93.41 100.95 109.01 129.88 149.33 161.63 184.40 192.09 210.50 235.60 264.42 319.12 336.78 353.56 408.96 425.42 473.91 499.48 530.97 539.72 594.10 707.86 733.86 756.34 803.65 867.44 894.72 906.91 951.22 1051.58 1057.97 1117.65 1130.46 1134.07 1171.15 1179.26 1187.66 1189.08 1212.08 1216.77 1223.18 1297.78 1378.40 1397.98 1426.08 1444.27 1480.17 1486.52 1493.22 1493.84 1497.42 1501.71 1504.03 1506.17 1506.88 1514.27 1543.47 1613.33 1636.39 3067.51 3083.62 3084.02 3086.67 3158.10 3158.96 3175.58 3176.03 3198.81 3206.06 3206.48 3215.80 3232.79 3843.96</array>
                     <array dataType="xsd:double" dictRef="o:t2" size="78">0.009858 0.001299 0.005476 0.003714 0.000825 0.000158 0.000786 0.000721 0.000741 0.001359 0.000790 0.001290 0.000061 0.000121 0.001522 0.000718 0.001108 0.001569 0.001371 0.001458 0.003822 0.013124 0.007461 0.005305 0.020568 0.000291 0.003838 0.007691 0.000364 0.015193 0.006232 0.001010 0.005030 0.008511 0.015867 0.000316 0.027103 0.009787 0.015568 0.000069 0.014938 0.000063 0.000057 0.003972 0.005250 0.004614 0.007249 0.011977 0.001318 0.008273 0.005365 0.000741 0.003332 0.000577 0.000112 0.000438 0.000555 0.000485 0.000400 0.000935 0.000616 0.007974 0.013061 0.046683 0.000121 0.000475 0.000333 0.000039 0.000000 0.000035 0.000092 0.000217 0.000030 0.000059 0.000050 0.000006 0.001089 0.003985</array>
                     <matrix cols="3"
                             dataType="xsd:double"
                             dictRef="cc:displacement"
                             rows="78">-0.007928 0.045100 -0.088097 0.001583 0.014864 -0.032794 0.036546 -0.059647 -0.024131 -0.051374 0.030432 0.012173 -0.014223 0.024894 0.001780 -0.005943 -0.007030 0.008580 -0.001446 -0.005104 0.027535 0.015895 -0.021382 0.003285 -0.023273 -0.014065 0.001301 0.009573 0.018326 -0.030528 0.000867 0.023368 -0.015594 -0.031489 -0.008272 0.015156 -0.002121 -0.002636 0.007009 0.009164 -0.003563 0.004890 -0.034483 -0.017628 0.004761 0.016416 0.014717 -0.015236 -0.032194 0.003874 0.007534 0.039121 -0.004374 0.004389 0.033892 0.011536 -0.009463 0.010415 -0.015215 -0.033432 -0.020771 0.045373 -0.036497 0.003143 0.039642 -0.107439 0.075157 -0.005988 0.042145 0.070755 -0.014548 -0.009336 -0.139183 0.015522 0.030906 0.005128 0.002026 -0.016134 0.032405 -0.051071 -0.013420 0.077681 -0.036556 -0.017908 -0.003234 0.006438 -0.017655 -0.113695 0.042446 -0.021569 -0.078487 0.006716 -0.005181 -0.017557 -0.018568 -0.018886 0.040997 0.043198 -0.038508 -0.088070 -0.025045 -0.011278 0.124162 0.021157 0.001629 0.008267 -0.004085 0.015203 0.147336 0.055151 -0.048509 -0.054462 0.032960 -0.075724 -0.018930 0.013777 -0.122556 -0.000808 0.002385 -0.007942 0.086394 0.082880 0.024606 -0.004953 0.004532 -0.004179 -0.004143 0.006007 0.002005 -0.058416 0.004979 -0.023132 0.031261 0.029223 -0.058472 -0.063491 -0.023118 -0.006975 -0.084110 0.001025 0.013175 0.070020 0.053341 0.065033 -0.009789 0.027756 0.021250 0.073893 -0.049030 -0.020220 0.060319 -0.040302 -0.010111 0.007777 -0.000501 -0.026085 0.042232 -0.038882 -0.006082 -0.017700 -0.005688 -0.015207 -0.007276 -0.006303 0.004410 0.020767 -0.001012 -0.002369 -0.007195 -0.002729 0.022273 -0.021535 -0.003932 0.002456 0.018938 0.002693 0.005816 0.004214 -0.030224 -0.001862 -0.000135 -0.008300 0.023397 0.077780 -0.041555 -0.014054 0.112014 -0.021092 -0.008330 -0.188128 -0.100491 -0.034526 0.009201 0.005707 0.001939 -0.001424 -0.008662 0.019941 0.007638 0.013144 0.010091 0.000080 0.005894 0.002046 0.000092 -0.000220 -0.000639 -0.000010 0.002018 -0.005529 0.005722 -0.007341 -0.002408 -0.012179 0.008291 0.000283 -0.002068 -0.004796 -0.001702 0.007299 0.002225 -0.000754 0.000113 0.004272 -0.005623 0.001370 0.002016 0.000711 0.024606 -0.019644 -0.009859 0.059215 0.020667 0.007184</matrix>
                  </module>
               </property>
            </propertyList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-4.88797"
                        y3="0.340134"
                        z3="0.082366"/>
                  <atom elementType="O"
                        id="a2"
                        x3="-3.454519"
                        y3="0.482799"
                        z3="0.128412"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-2.668876"
                        y3="-0.486635"
                        z3="-0.224644"/>
                  <atom elementType="O"
                        id="a4"
                        x3="-3.147494"
                        y3="-1.629136"
                        z3="-0.628572"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-1.276935"
                        y3="-0.372197"
                        z3="-0.195163"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-0.589782"
                        y3="0.756332"
                        z3="0.177619"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.182799"
                        y3="2.0520"
                        z3="0.613397"/>
                  <atom elementType="O"
                        id="a8"
                        x3="0.726922"
                        y3="0.791943"
                        z3="0.178769"/>
                  <atom elementType="P"
                        id="a9"
                        x3="1.824014"
                        y3="-0.427742"
                        z3="-0.158401"/>
                  <atom elementType="O"
                        id="a10"
                        x3="1.324466"
                        y3="-1.325598"
                        z3="-1.180961"/>
                  <atom elementType="O"
                        id="a11"
                        x3="3.081028"
                        y3="0.43742"
                        z3="-0.442857"/>
                  <atom elementType="C"
                        id="a12"
                        x3="3.341338"
                        y3="1.006759"
                        z3="-1.742711"/>
                  <atom elementType="O"
                        id="a13"
                        x3="2.069692"
                        y3="-1.051562"
                        z3="1.237158"/>
                  <atom elementType="C"
                        id="a14"
                        x3="2.764675"
                        y3="-0.401211"
                        z3="2.31783"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-5.279576"
                        y3="1.291264"
                        z3="0.424125"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-5.211739"
                        y3="-0.449182"
                        z3="0.761543"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-5.217504"
                        y3="0.159952"
                        z3="-0.941393"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-0.732032"
                        y3="-1.241594"
                        z3="-0.533805"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-1.788256"
                        y3="1.909679"
                        z3="1.508266"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-1.837306"
                        y3="2.452947"
                        z3="-0.159538"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-0.388779"
                        y3="2.762013"
                        z3="0.822736"/>
                  <atom elementType="H"
                        id="a22"
                        x3="4.387034"
                        y3="1.295339"
                        z3="-1.742416"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.712453"
                        y3="1.883863"
                        z3="-1.886295"/>
                  <atom elementType="H"
                        id="a24"
                        x3="3.151665"
                        y3="0.266799"
                        z3="-2.517161"/>
                  <atom elementType="H"
                        id="a25"
                        x3="2.747978"
                        y3="-1.099908"
                        z3="3.147507"/>
                  <atom elementType="H"
                        id="a26"
                        x3="2.252537"
                        y3="0.519882"
                        z3="2.592878"/>
                  <atom elementType="H"
                        id="a27"
                        x3="3.78922"
                        y3="-0.189433"
                        z3="2.022483"/>
                  <atom elementType="H"
                        id="a28"
                        x3="-4.10895"
                        y3="-1.679235"
                        z3="-0.640317"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a1 a16" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a28" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a22" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a26" order="S"/>
                  <bond atomRefs2="a14 a27" order="S"/>
                  <bond atomRefs2="a14 a25" order="S"/>
               </bondArray>
               <formula concise="C7H14O6P">
                  <atomArray count="7 14 6 1" elementType="C H O P"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">211.04506100000003</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C7H14O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5,8H,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,1,12,14,5,6,3,4,10,2,11,13,8,9/E:(3,4)(11,12)/CRV:5.3,6.3,7.3,9.1,14.4/rA:28COC3OC3C3COP4O1OCOCHHHHHHHHHHHHHH/rB:s1;s2;s3;s3;s5;s6;s6;s8;s9;s9;s11;s9;s13;s1;s1;s1;s5;s7;s7;s7;s12;s12;s12;s14;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="totalenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:totalener" units="nonsi:hartree">-1067.81895886</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">1130.76892502</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-2198.58788388</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-3695.68477559</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1497.09689171</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-2131.37683038</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">1063.55787152</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.00400645</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">59.000006483804</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">59.000006483804</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">118.000012967608</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-82.883766874820</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="641">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="641">2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="641"
                            units="nonsi:electronvolt">-2106.3387 -530.0836 -529.9322 -528.8679 -527.7688 -527.7662 -525.6491 -288.9527 -287.1322 -285.9853 -284.3518 -284.2877 -283.8626 -283.6685 -187.6028 -137.3810 -137.3391 -137.2615 -39.4468 -37.4707 -37.1889 -36.0296 -35.0493 -33.0615 -30.0784 -28.3356 -27.2118 -26.3848 -25.6468 -25.4841 -24.3116 -23.4349 -22.2380 -21.4865 -21.2682 -20.6650 -20.5027 -20.0075 -19.5240 -19.2847 -19.0430 -18.9144 -18.7760 -18.5457 -18.1250 -18.0875 -17.7424 -17.4330 -17.2682 -16.9848 -16.8161 -16.6770 -15.7360 -15.4675 -15.1559 -14.7230 -14.5257 -14.2166 -13.6854 -4.0958 -1.2209 -0.4918 -0.4083 0.1208 0.4840 0.7684 1.0018 1.0929 1.2156 1.3399 1.4131 1.7018 1.8731 1.9738 2.3492 2.3954 2.4437 2.6485 2.8477 2.9879 3.2065 3.4667 3.8152 4.0379 4.2906 4.3413 4.4845 4.5731 4.8118 4.9186 5.0501 5.1298 5.4796 5.5523 5.6996 5.8602 6.2455 6.4343 6.5043 6.6903 7.0020 7.2448 7.5154 7.7601 7.8946 8.2199 8.4156 8.7446 9.0171 9.2409 9.5374 9.6550 9.7912 9.9169 9.9873 10.1614 10.3353 10.4071 10.6759 10.8680 11.1231 11.2718 11.4763 11.6124 11.6883 11.9627 12.0638 12.1125 12.1607 12.2683 12.4148 12.5855 12.6989 12.8025 13.0149 13.2174 13.6076 13.7869 14.2014 14.5515 14.6629 14.8213 15.1179 15.2666 15.5611 15.8601 16.3097 16.8389 16.9875 17.2609 17.4390 17.7709 18.0581 18.3731 18.4079 18.7904 19.2592 19.3728 19.6048 19.6947 20.0905 20.2394 20.6675 21.0283 21.3252 21.5391 21.7704 22.0357 22.1962 22.2585 22.3850 22.8852 23.0631 23.2474 23.7126 23.8485 23.9312 23.9993 24.2383 24.3442 24.6326 24.7454 24.8367 25.0436 25.2067 25.4674 25.6181 25.8779 26.2392 26.3743 26.5827 26.7849 26.8399 27.6914 27.9014 28.3323 28.4591 28.6847 28.8529 29.1236 29.2699 29.6062 29.7343 30.1916 30.2997 30.3785 30.8277 31.2171 31.3672 31.8684 32.0927 32.2894 32.4143 33.3143 33.4657 33.6850 33.9188 34.1972 34.4227 34.6567 35.1962 35.2890 35.7767 35.9873 36.3111 36.7090 36.8741 37.0477 37.2961 37.4933 37.6385 37.9248 38.0418 38.2132 38.2564 38.4192 38.5925 38.9038 38.9295 39.4275 39.7318 39.7920 39.9885 40.1255 40.6269 40.6825 40.8556 41.1765 41.5202 41.6252 41.6556 41.8526 42.1105 42.7463 43.6705 43.9524 44.1144 44.3632 44.5831 45.0642 45.9040 46.0976 46.5620 47.5015 48.0318 48.4124 48.9241 49.3178 49.4355 49.8607 50.0168 50.4236 50.6656 50.8553 51.5044 52.1491 52.4519 52.8329 53.5146 53.7887 54.1959 54.5067 54.9385 55.6674 56.0714 56.3052 57.1944 57.3221 57.6975 58.2504 58.3768 58.8227 59.2677 59.3154 59.8185 60.1985 60.5788 61.1689 61.5433 62.0977 62.1960 62.5873 62.9636 63.3860 64.0071 64.6175 64.8960 65.3977 66.7407 67.0214 67.1641 67.4941 67.6375 68.0408 68.2411 68.4167 68.6503 68.7488 68.9903 69.3577 70.2109 70.6569 70.9781 71.6997 71.8516 72.1645 72.3927 72.8621 73.3004 73.4974 73.6505 73.7853 73.9733 74.3959 74.9624 75.0541 75.5142 75.6342 75.9698 76.0548 76.3789 76.3904 76.7489 76.9632 77.1735 77.6417 77.7345 78.3154 78.5418 78.6404 78.8587 78.9372 78.9576 79.2634 79.7832 79.8973 80.0752 80.1261 80.2112 80.2928 80.6454 81.1049 81.3367 81.5112 81.6313 81.9256 82.1545 82.4306 83.0616 83.1795 83.5382 83.7892 83.8909 84.4455 84.8372 85.1422 85.2041 85.8589 86.1172 86.6183 86.9549 87.0643 87.1437 87.3835 87.6940 87.8115 87.9799 88.8901 89.1475 89.5851 89.6142 90.0389 90.0735 90.2929 90.6877 90.9158 91.0208 91.2067 91.4575 91.8407 92.1486 92.4068 92.9110 93.1533 93.4006 93.7646 93.8961 94.1138 94.1853 94.6277 94.8035 95.0474 95.5215 95.9185 96.0816 96.7062 97.3898 97.4990 97.6779 97.9164 98.0562 98.2453 98.7565 99.1460 99.2250 99.6161 100.0994 100.6022 101.2913 101.8898 102.0888 102.5306 103.0554 103.2364 103.4271 103.5647 103.8586 104.0281 104.4552 104.7670 105.0273 105.1488 105.6313 105.7344 106.1616 106.7113 106.9648 107.4962 107.8429 108.0552 108.4147 108.5791 109.2136 109.2788 109.5889 109.7974 109.9756 110.0489 110.1121 110.7302 110.9166 111.0933 111.2488 111.5354 111.5672 112.1127 113.0094 113.1156 113.5263 113.8286 113.8972 114.3474 114.8507 114.8655 114.9919 115.1161 115.6220 117.4157 117.4964 118.5918 118.9200 119.3480 120.2761 121.3411 121.4286 121.7191 121.8438 122.4368 122.8652 122.9487 123.6208 123.6585 124.2377 124.6296 125.1335 125.9560 127.3982 127.7427 128.9869 129.3881 129.4342 129.6252 130.7496 131.3546 133.0160 133.2414 133.5011 133.5789 133.7570 133.9809 134.1345 134.2553 134.9236 135.5180 135.9571 136.1909 136.6659 137.1449 137.2987 138.0328 138.2090 138.3881 138.6803 138.9924 139.3708 140.1392 140.3586 140.6345 141.0366 141.0867 141.3541 141.4289 142.0150 142.4666 142.8246 142.9203 143.1812 143.3440 143.4463 143.6884 143.8169 144.1154 144.3492 144.7027 145.0837 145.4148 145.9458 146.3141 146.3963 146.7696 147.5190 148.1914 148.3765 148.6260 148.9712 149.3155 149.3673 150.0734 150.1855 150.3597 151.0979 151.1289 151.3833 151.8317 152.4689 152.6426 152.7638 153.3375 153.7770 154.1729 154.8029 156.9823 158.7139 158.8928 160.3006 162.0475 162.9392 162.9888 164.0560 164.5455 164.8374 165.7099 167.1004 167.8735 169.5163 171.6168 172.8666 173.3968 174.1711 175.2163 176.1696 176.4378 176.5309 177.5205 178.3644 178.6237 179.7368 179.9978 180.4101 180.4359 181.7064 181.9799 183.5112 184.9942 185.9613 186.5699 187.0469 187.4173 188.4678 189.0099 189.2208 190.1610 190.9002 192.3583 194.2547 195.8039 196.8952 197.3774 198.1399 200.0930 201.2284 201.7146 203.1847 204.4042 223.6821 232.9173 237.6826 472.3434 622.6253 630.2534 637.2789 638.9607 639.4662 639.7445 645.6332 1191.9957 1195.4417 1198.7289 1200.6845 1202.6313 1203.5170</array>
                  </list>
               </module>
               <module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="28">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="28">C O C O C C C O P O O C O C H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="28">-0.157421 -0.216162 0.474750 -0.169096 -0.224428 0.281431 -0.184617 -0.271813 0.851197 -0.473435 -0.301740 -0.124336 -0.286774 -0.118671 0.141767 0.137951 0.138675 0.165078 0.110558 0.111101 0.122247 0.135758 0.116250 0.137406 0.137350 0.111823 0.131490 0.223662</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="28">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="28">C O C O C C C O P O O C O C H H H H H H H H H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="28">0.017885 0.363575 -0.294043 0.476414 -0.039842 -0.152045 0.048471 0.213061 0.137193 -0.188747 0.125585 -0.020760 0.134607 -0.026811 0.033501 0.018449 0.018625 0.031956 0.037921 0.037073 0.035117 0.018432 0.006663 0.013295 0.018282 0.003735 0.010964 -0.078556</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="28">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="28">C O C O C C C O P O O C O C H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="28">6.1574 8.2162 5.5253 8.1691 6.2244 5.7186 6.1846 8.2718 14.1488 8.4734 8.3017 6.1243 8.2868 6.1187 0.8582 0.8620 0.8613 0.8349 0.8894 0.8889 0.8778 0.8642 0.8837 0.8626 0.8626 0.8882 0.8685 0.7763</array>
                     <array dataType="xsd:double" dictRef="o:za" size="28">6.0000 8.0000 6.0000 8.0000 6.0000 6.0000 6.0000 8.0000 15.0000 8.0000 8.0000 6.0000 8.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="28">-0.1574 -0.2162 0.4747 -0.1691 -0.2244 0.2814 -0.1846 -0.2718 0.8512 -0.4734 -0.3017 -0.1243 -0.2868 -0.1187 0.1418 0.1380 0.1387 0.1651 0.1106 0.1111 0.1222 0.1358 0.1163 0.1374 0.1374 0.1118 0.1315 0.2237</array>
                     <array dataType="xsd:double" dictRef="o:va" size="28">3.8367 2.2367 4.1013 2.3784 3.7569 3.8588 3.9052 2.2196 5.6394 2.1470 2.1603 3.8270 2.1733 3.8293 0.9996 0.9833 0.9833 1.0505 1.0057 1.0066 1.0157 0.9899 0.9894 0.9905 0.9887 0.9908 0.9922 1.0342</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="28">3.8367 2.2367 4.1013 2.3784 3.7569 3.8588 3.9052 2.2196 5.6394 2.1470 2.1603 3.8270 2.1733 3.8293 0.9996 0.9833 0.9833 1.0505 1.0057 1.0066 1.0157 0.9899 0.9894 0.9905 0.9887 0.9908 0.9922 1.0342</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="28">0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="27">0.8544 0.9768 0.9714 0.9715 1.2945 1.3373 1.3151 0.9672 1.4683 0.9483 0.9618 1.2321 0.9632 0.9673 0.9927 0.8991 2.0362 1.2676 1.3017 0.8552 0.9763 0.9799 0.9722 0.8495 0.9760 0.9773 0.9755</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="27">0 1 0 14 0 15 0 16 1 2 2 3 2 4 3 27 4 5 4 17 5 6 5 7 6 18 6 19 6 20 7 8 8 9 8 10 8 12 10 11 11 21 11 22 11 23 12 13 13 24 13 25 13 26</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dftd3" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispcorr" units="nonsi:hartree">-0.010472427</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-1067.833694516549</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-7.15733 3.70563 -3.45170 8.13942 -6.76401 1.37542 2.86755 -2.23882 0.62874</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">3.76846</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">9.57867</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <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>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">225.16</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-1067.83369452</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.22482115</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.01465921</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalrotcorrection"
                             units="nonsi:hartree">0.00141627</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermaltrasncorrection"
                             units="nonsi:hartree">0.00141627</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermaltotal"
                             units="nonsi:hartree">-1067.59138161</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.01749176</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.22482115</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.24231290</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1067.59138161</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1067.59043740</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1067.59043740</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.06258541</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-1067.65302281</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.18067170</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
