<?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">5.0.4</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="7">1 2 3 4 5 6 7</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="7">7s6p5d1f 4s1p 10s7p1d 7s4p1d 7s4p1d 7s4p1d 7s4p1d</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="7">6s3p2d1f 2s1p 4s3p1d 3s2p1d 3s2p1d 3s2p1d 3s2p1d</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="39">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="39">Os H H P P C H H H C H H H C H H H C H H H C H H H C H H H C O H H H H B N H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="39">1 2 2 3 3 4 2 2 2 4 2 2 2 4 2 2 2 4 2 2 2 4 2 2 2 4 2 2 2 4 5 2 2 2 2 6 7 2 2</array>
                  </list>
               </module>
               <module cmlx:templateRef="basisecp">
                  <module cmlx:templateRef="basisgroups">
                     <list cmlx:templateRef="group">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Os</scalar>
                           <scalar dataType="xsd:string" dictRef="o:ecptype">ECP Def2-ECP</scalar>
                        </list>
                     </list>
                  </module>
                  <module cmlx:templateRef="atombasis">
                     <list cmlx:templateRef="missingID">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">0</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Os</scalar>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                        </list>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="basisecp">
                  <module cmlx:templateRef="basisgroups">
                     <list cmlx:templateRef="group">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Os</scalar>
                           <scalar dataType="xsd:string" dictRef="o:ecptype">ECP Def2-ECP</scalar>
                        </list>
                     </list>
                  </module>
                  <module cmlx:templateRef="atombasis">
                     <list cmlx:templateRef="missingID">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">0</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Os</scalar>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                        </list>
                     </list>
                  </module>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="Os"
                        id="a1"
                        x3="-0.026608"
                        y3="-0.468992"
                        z3="-0.232439"/>
                  <atom elementType="H"
                        id="a2"
                        x3="0.077909"
                        y3="0.431768"
                        z3="1.286986"/>
                  <atom elementType="H"
                        id="a3"
                        x3="0.201798"
                        y3="1.328825"
                        z3="-0.694536"/>
                  <atom elementType="P"
                        id="a4"
                        x3="-2.370452"
                        y3="-0.28331"
                        z3="-0.230549"/>
                  <atom elementType="P"
                        id="a5"
                        x3="2.32507"
                        y3="-0.555271"
                        z3="-0.307717"/>
                  <atom elementType="C"
                        id="a6"
                        x3="3.055415"
                        y3="-2.226075"
                        z3="-0.182755"/>
                  <atom elementType="H"
                        id="a7"
                        x3="4.153417"
                        y3="-2.191716"
                        z3="-0.24923"/>
                  <atom elementType="H"
                        id="a8"
                        x3="2.762518"
                        y3="-2.680107"
                        z3="0.774804"/>
                  <atom elementType="H"
                        id="a9"
                        x3="2.653906"
                        y3="-2.850228"
                        z3="-0.993844"/>
                  <atom elementType="C"
                        id="a10"
                        x3="3.058798"
                        y3="0.093216"
                        z3="-1.854376"/>
                  <atom elementType="H"
                        id="a11"
                        x3="2.777277"
                        y3="1.150488"
                        z3="-1.967021"/>
                  <atom elementType="H"
                        id="a12"
                        x3="4.156464"
                        y3="0.009895"
                        z3="-1.848471"/>
                  <atom elementType="H"
                        id="a13"
                        x3="2.647717"
                        y3="-0.467347"
                        z3="-2.70586"/>
                  <atom elementType="C"
                        id="a14"
                        x3="3.206628"
                        y3="0.395683"
                        z3="0.978708"/>
                  <atom elementType="H"
                        id="a15"
                        x3="2.877044"
                        y3="0.051451"
                        z3="1.968878"/>
                  <atom elementType="H"
                        id="a16"
                        x3="4.299614"
                        y3="0.302357"
                        z3="0.887903"/>
                  <atom elementType="H"
                        id="a17"
                        x3="2.909734"
                        y3="1.449108"
                        z3="0.879577"/>
                  <atom elementType="C"
                        id="a18"
                        x3="-3.028967"
                        y3="1.357839"
                        z3="-0.697277"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-4.128662"
                        y3="1.374955"
                        z3="-0.656158"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-2.623456"
                        y3="2.101146"
                        z3="0.003987"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-2.698939"
                        y3="1.609189"
                        z3="-1.715635"/>
                  <atom elementType="C"
                        id="a22"
                        x3="-3.262684"
                        y3="-1.423471"
                        z3="-1.348592"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-2.998721"
                        y3="-2.457154"
                        z3="-1.082084"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-4.353999"
                        y3="-1.293215"
                        z3="-1.283185"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-2.925904"
                        y3="-1.245818"
                        z3="-2.379646"/>
                  <atom elementType="C"
                        id="a26"
                        x3="-3.152123"
                        y3="-0.598665"
                        z3="1.389862"/>
                  <atom elementType="H"
                        id="a27"
                        x3="-2.718943"
                        y3="0.101231"
                        z3="2.118639"/>
                  <atom elementType="H"
                        id="a28"
                        x3="-4.244698"
                        y3="-0.472278"
                        z3="1.347209"/>
                  <atom elementType="H"
                        id="a29"
                        x3="-2.914075"
                        y3="-1.624302"
                        z3="1.707509"/>
                  <atom elementType="C"
                        id="a30"
                        x3="-0.151299"
                        y3="-2.145521"
                        z3="0.566808"/>
                  <atom elementType="O"
                        id="a31"
                        x3="-0.233719"
                        y3="-3.19663"
                        z3="1.040971"/>
                  <atom elementType="H"
                        id="a32"
                        x3="1.281235"
                        y3="3.272737"
                        z3="1.041863"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-0.23283"
                        y3="3.492881"
                        z3="0.457629"/>
                  <atom elementType="H"
                        id="a34"
                        x3="-1.290584"
                        y3="1.838547"
                        z3="1.927403"/>
                  <atom elementType="H"
                        id="a35"
                        x3="0.590167"
                        y3="1.594779"
                        z3="2.71935"/>
                  <atom elementType="B"
                        id="a36"
                        x3="-0.08499"
                        y3="1.777842"
                        z3="1.713092"/>
                  <atom elementType="N"
                        id="a37"
                        x3="0.44337"
                        y3="2.789238"
                        z3="0.735752"/>
                  <atom elementType="H"
                        id="a38"
                        x3="0.015463"
                        y3="0.90901"
                        z3="-1.414095"/>
                  <atom elementType="H"
                        id="a39"
                        x3="-0.051893"
                        y3="-1.252087"
                        z3="-1.703462"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a38" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a30" order="S"/>
                  <bond atomRefs2="a1 a39" order="S"/>
                  <bond atomRefs2="a2 a36" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a32 a37" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
               </bondArray>
               <formula concise="C7H26BNOOsP2">
                  <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">377.0695219999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:18,22,26,4;6,10,14,5;30,31;36,37;1;3;38;39/E:2*(1,2,3);;;;;;/CRV:;;1.1,2.1;1.4;;;;/rA:39nOsH2HP4P4CHHHCHHHCHHHCHHHCHHHCHHHC2O1HHHHB4NHH/rB:s1;s1;s1;s1;s5;s6;s6;s6;s5;s10;s10;s10;s5;s14;s14;s14;s4;s18;s18;s18;s4;s22;s22;s22;s4;s26;s26;s26;s1;s30;;;;;s2s34s35;s32s33s36;s1;s1;/rC:-.0266,-.469,-.2324;.0779,.4318,1.287;.2018,1.3288,-.6945;-2.3705,-.2833,-.2305;2.3251,-.5553,-.3077;3.0554,-2.2261,-.1828;4.1534,-2.1917,-.2492;2.7625,-2.6801,.7748;2.6539,-2.8502,-.9938;3.0588,.0932,-1.8544;2.7773,1.1505,-1.967;4.1565,.0099,-1.8485;2.6477,-.4673,-2.7059;3.2066,.3957,.9787;2.877,.0515,1.9689;4.2996,.3024,.8879;2.9097,1.4491,.8796;-3.029,1.3578,-.6973;-4.1287,1.375,-.6562;-2.6235,2.1011,.004;-2.6989,1.6092,-1.7156;-3.2627,-1.4235,-1.3486;-2.9987,-2.4572,-1.0821;-4.354,-1.2932,-1.2832;-2.9259,-1.2458,-2.3796;-3.1521,-.5987,1.3899;-2.7189,.1012,2.1186;-4.2447,-.4723,1.3472;-2.9141,-1.6243,1.7075;-.1513,-2.1455,.5668;-.2337,-3.1966,1.041;1.2812,3.2727,1.0419;-.2328,3.4929,.4576;-1.2906,1.8385,1.9274;.5902,1.5948,2.7193;-.085,1.7778,1.7131;.4434,2.7892,.7358;.0155,.909,-1.4141;-.0519,-1.2521,-1.7035;/R:/0/N:6,10,14,18,22,26,30,36,37,31,1,5,4,2/E:(1,2,3,4,5,6)(12,13)/CRV:7.2,8.4,10.1,11.7,12.4,13.4,14.2</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">PBE</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PBE kappa parameter   XKappa</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.804000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XMuePBE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.219520</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PBE</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PBE beta parameter  CBetaPBE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.066725</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PW91-LDA</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">0.250000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.750000</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>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NL short-range parameter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">6.900000</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">967</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">reaction-19-nebts_re_tsopt</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">0</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">134</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">338</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1319.2961521467 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">off</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">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">1.663e-03</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.015 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">0.008 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.024 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">PBE</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PBE kappa parameter   XKappa</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.804000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XMuePBE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.219520</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PBE</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PBE beta parameter  CBetaPBE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.066725</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PW91-LDA</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">0.250000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.750000</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>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NL short-range parameter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">6.900000</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">967</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">reaction-19-nebts_re_tsopt</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">0</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">134</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">338</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1319.6328926020 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">off</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">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">1.666e-03</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.017 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">0.008 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.026 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <scalar dataType="xsd:integer" dictRef="o:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="11">PBE0 D3BJ def2-SVP def2/J RIJCOSX TightSCF defgrid3 OptTS VeryTightOpt Freq pal8</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">geom</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">inhess read</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">inhessname "reaction-19-nebts_irc.hess"</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">recalc_hess 5</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">trust -0.1</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">maxiter 500</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">4000</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"/>
                     </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="Os"
                              id="a1"
                              x3="-0.027954"
                              y3="-0.468428"
                              z3="-0.238117"/>
                        <atom elementType="H"
                              id="a2"
                              x3="0.076156"
                              y3="0.425945"
                              z3="1.283086"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                              y3="2.792036"
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                        <bond atomRefs2="a35 a36" order="S"/>
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                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                        <scalar units="unit:dalton">377.0695219999999</scalar>
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               </module>
               <module cmlx:templateRef="geometry">
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
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                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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               <module cmlx:templateRef="geometry">
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                              x3="0.482884"
                              y3="2.78318"
                              z3="0.839787"/>
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                              y3="0.928665"
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                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
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                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
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                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
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                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
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                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               <module cmlx:templateRef="geometry">
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                              z3="1.75266"/>
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                              y3="2.782978"
                              z3="0.832232"/>
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                        <bond atomRefs2="a1 a38" order="S"/>
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                        <bond atomRefs2="a5 a10" order="S"/>
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                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              x3="0.425715"
                              y3="2.778914"
                              z3="0.808124"/>
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                              x3="0.021908"
                              y3="0.934647"
                              z3="-1.400958"/>
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                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
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                        <bond atomRefs2="a4 a18" order="S"/>
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                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              y3="2.772613"
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                        <bond atomRefs2="a1 a38" order="S"/>
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                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
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                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
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                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
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                        <bond atomRefs2="a22 a23" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              y3="2.764328"
                              z3="0.809961"/>
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                        <bond atomRefs2="a1 a38" order="S"/>
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                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
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                        <bond atomRefs2="a10 a13" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                        <scalar units="unit:dalton">377.0695219999999</scalar>
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               <module cmlx:templateRef="geometry">
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                              y3="1.510491"
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                              y3="1.702256"
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                              y3="2.763746"
                              z3="0.820332"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041029"
                              y3="0.968382"
                              z3="-1.371781"/>
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
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                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
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                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              y3="2.763206"
                              z3="0.820023"/>
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                        <bond atomRefs2="a1 a3" order="S"/>
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                        <bond atomRefs2="a10 a11" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                        <scalar units="unit:dalton">377.0695219999999</scalar>
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               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               <module cmlx:templateRef="geometry">
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                              z3="1.784732"/>
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                              y3="2.763042"
                              z3="0.820046"/>
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                              y3="0.969393"
                              z3="-1.37072"/>
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
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                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
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                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="-0.159417"
                              y3="-2.165261"
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                              id="a34"
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                              z3="2.052484"/>
                        <atom elementType="H"
                              id="a35"
                              x3="0.634535"
                              y3="1.510373"
                              z3="2.75784"/>
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                              id="a36"
                              x3="-0.086406"
                              y3="1.701011"
                              z3="1.784737"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.370024"
                              y3="2.763034"
                              z3="0.820045"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.04188"
                              y3="0.9694"
                              z3="-1.37071"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.055728"
                              y3="-1.177768"
                              z3="-1.750311"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              z3="1.784911"/>
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                        <bond atomRefs2="a1 a38" order="S"/>
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                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
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                        <bond atomRefs2="a5 a10" order="S"/>
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                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
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                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              y3="-0.457268"
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                        <atom elementType="H"
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                              id="a35"
                              x3="0.634546"
                              y3="1.510396"
                              z3="2.757833"/>
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                              id="a36"
                              x3="-0.086408"
                              y3="1.701005"
                              z3="1.784732"/>
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                              id="a37"
                              x3="0.369999"
                              y3="2.763022"
                              z3="0.820015"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041889"
                              y3="0.969407"
                              z3="-1.370695"/>
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                              id="a39"
                              x3="-0.055727"
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                              z3="-1.750302"/>
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a1 a38" order="S"/>
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                        <bond atomRefs2="a1 a30" order="S"/>
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                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
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                        <bond atomRefs2="a22 a23" order="S"/>
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                        <bond atomRefs2="a32 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="-2.917837"
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                              z3="1.625676"/>
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                              x3="-1.28266"
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                        <atom elementType="H"
                              id="a35"
                              x3="0.634548"
                              y3="1.510391"
                              z3="2.757835"/>
                        <atom elementType="B"
                              id="a36"
                              x3="-0.086408"
                              y3="1.701001"
                              z3="1.784736"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.369995"
                              y3="2.76302"
                              z3="0.82002"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.04189"
                              y3="0.96941"
                              z3="-1.370692"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.055728"
                              y3="-1.17776"
                              z3="-1.750304"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
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                        <bond atomRefs2="a26 a28" order="S"/>
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                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                        <atom elementType="H"
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                              x3="0.634546"
                              y3="1.510387"
                              z3="2.757838"/>
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                              x3="-0.086407"
                              y3="1.701002"
                              z3="1.784738"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.3700"
                              y3="2.763022"
                              z3="0.820027"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041889"
                              y3="0.969411"
                              z3="-1.370693"/>
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                              id="a39"
                              x3="-0.055728"
                              y3="-1.177759"
                              z3="-1.750305"/>
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                     <bondArray>
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a6 a9" order="S"/>
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                        <bond atomRefs2="a10 a13" order="S"/>
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                        <bond atomRefs2="a14 a16" order="S"/>
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                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
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                        <bond atomRefs2="a18 a19" order="S"/>
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                        <bond atomRefs2="a30 a31" order="S"/>
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                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="0.369995"
                              y3="2.763022"
                              z3="0.820024"/>
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                              id="a38"
                              x3="0.04189"
                              y3="0.969412"
                              z3="-1.37069"/>
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                              x3="-0.055728"
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
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                        <bond atomRefs2="a1 a30" order="S"/>
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                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
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                        <bond atomRefs2="a14 a15" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              x3="-2.917837"
                              y3="-1.696403"
                              z3="1.625673"/>
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                              x3="-0.159418"
                              y3="-2.165259"
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                              y3="-3.234656"
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                              y3="3.255795"
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                              x3="-0.336107"
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                              z3="0.609131"/>
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                              x3="-1.28266"
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                              z3="2.052511"/>
                        <atom elementType="H"
                              id="a35"
                              x3="0.63455"
                              y3="1.510386"
                              z3="2.75784"/>
                        <atom elementType="B"
                              id="a36"
                              x3="-0.086407"
                              y3="1.700998"
                              z3="1.784742"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.369994"
                              y3="2.763021"
                              z3="0.820029"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041891"
                              y3="0.969414"
                              z3="-1.370689"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.055729"
                              y3="-1.177755"
                              z3="-1.750304"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              z3="0.820234"/>
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                              y3="0.969498"
                              z3="-1.370606"/>
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                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
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                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="0.634552"
                              y3="1.510381"
                              z3="2.757842"/>
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                              x3="-0.086407"
                              y3="1.700995"
                              z3="1.784746"/>
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                              x3="0.369992"
                              y3="2.76302"
                              z3="0.820035"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041892"
                              y3="0.969415"
                              z3="-1.370688"/>
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                              x3="-0.05573"
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                              z3="-1.750306"/>
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
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                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                              y3="1.51038"
                              z3="2.757843"/>
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                              x3="-0.086407"
                              y3="1.700994"
                              z3="1.784748"/>
                        <atom elementType="N"
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                              x3="0.36999"
                              y3="2.76302"
                              z3="0.820037"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041892"
                              y3="0.969416"
                              z3="-1.370686"/>
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                              id="a39"
                              x3="-0.05573"
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                              z3="-1.750305"/>
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
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                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
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                        <bond atomRefs2="a22 a25" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              z3="2.757844"/>
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                              x3="-0.086407"
                              y3="1.700993"
                              z3="1.784749"/>
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                              x3="0.369989"
                              y3="2.76302"
                              z3="0.820037"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041893"
                              y3="0.969418"
                              z3="-1.370685"/>
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                              x3="-0.05573"
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              x3="-2.917838"
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                              z3="1.625663"/>
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                              y3="-2.165259"
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                              id="a34"
                              x3="-1.282658"
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                        <atom elementType="H"
                              id="a35"
                              x3="0.634555"
                              y3="1.510376"
                              z3="2.757847"/>
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                              id="a36"
                              x3="-0.086406"
                              y3="1.700991"
                              z3="1.784752"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.369989"
                              y3="2.76302"
                              z3="0.820043"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041893"
                              y3="0.969419"
                              z3="-1.370684"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.055731"
                              y3="-1.177749"
                              z3="-1.750306"/>
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                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a1 a30" order="S"/>
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                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              z3="2.757848"/>
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                              z3="1.784755"/>
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                              y3="2.763019"
                              z3="0.820046"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041894"
                              y3="0.969421"
                              z3="-1.370683"/>
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                              x3="-0.055731"
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                              x3="0.634559"
                              y3="1.51037"
                              z3="2.75785"/>
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                              y3="1.700985"
                              z3="1.784758"/>
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                              x3="0.369983"
                              y3="2.763018"
                              z3="0.82005"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041895"
                              y3="0.969422"
                              z3="-1.370681"/>
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                              x3="-0.055732"
                              y3="-1.177745"
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                              x3="0.634559"
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                              z3="2.757851"/>
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                              z3="1.78476"/>
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                              id="a37"
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                              y3="2.763018"
                              z3="0.820053"/>
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                              id="a38"
                              x3="0.041896"
                              y3="0.969423"
                              z3="-1.37068"/>
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                              id="a39"
                              x3="-0.055732"
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
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                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                              id="a34"
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                              id="a35"
                              x3="0.634558"
                              y3="1.510365"
                              z3="2.757853"/>
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                              id="a36"
                              x3="-0.086406"
                              y3="1.700985"
                              z3="1.784762"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.369986"
                              y3="2.763019"
                              z3="0.820058"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041895"
                              y3="0.969423"
                              z3="-1.370681"/>
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                              id="a39"
                              x3="-0.055732"
                              y3="-1.177743"
                              z3="-1.750309"/>
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                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                        <atom elementType="H"
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                        <bond atomRefs2="a6 a8" order="S"/>
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                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
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                        <bond atomRefs2="a32 a37" order="S"/>
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                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                        <bond atomRefs2="a22 a23" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               <module cmlx:templateRef="geometry">
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                              x3="0.634561"
                              y3="1.510365"
                              z3="2.757854"/>
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                              id="a36"
                              x3="-0.086405"
                              y3="1.700982"
                              z3="1.784765"/>
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                              id="a37"
                              x3="0.369981"
                              y3="2.763018"
                              z3="0.820059"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041896"
                              y3="0.969426"
                              z3="-1.370678"/>
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                              id="a39"
                              x3="-0.055733"
                              y3="-1.177741"
                              z3="-1.750309"/>
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
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                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
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                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="0.634563"
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                              z3="2.757856"/>
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                              z3="1.784768"/>
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                              x3="0.369978"
                              y3="2.763017"
                              z3="0.820063"/>
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                              id="a38"
                              x3="0.041898"
                              y3="0.969427"
                              z3="-1.370676"/>
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                              x3="-0.055733"
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a10 a13" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                              x3="-2.917841"
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                              y3="-2.16526"
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                              x3="-1.282655"
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                              z3="2.052549"/>
                        <atom elementType="H"
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                              x3="0.634562"
                              y3="1.51036"
                              z3="2.757857"/>
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                              id="a36"
                              x3="-0.086405"
                              y3="1.700979"
                              z3="1.784769"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.36998"
                              y3="2.763018"
                              z3="0.820065"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041897"
                              y3="0.969427"
                              z3="-1.370676"/>
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                              id="a39"
                              x3="-0.055733"
                              y3="-1.177739"
                              z3="-1.75031"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                        <bond atomRefs2="a6 a8" order="S"/>
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                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
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                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              y3="2.763018"
                              z3="0.820069"/>
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                              id="a38"
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                              y3="0.969428"
                              z3="-1.370676"/>
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                              y3="-1.177737"
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                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
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                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
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                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
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                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
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                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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               </module>
               <module cmlx:templateRef="geometry">
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                              x3="-0.15942"
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                              x3="-1.282655"
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                              id="a35"
                              x3="0.634564"
                              y3="1.510358"
                              z3="2.757859"/>
                        <atom elementType="B"
                              id="a36"
                              x3="-0.086405"
                              y3="1.700977"
                              z3="1.784771"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.369977"
                              y3="2.763017"
                              z3="0.820069"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041898"
                              y3="0.969429"
                              z3="-1.370675"/>
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                              id="a39"
                              x3="-0.055734"
                              y3="-1.177736"
                              z3="-1.75031"/>
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                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                        <bond atomRefs2="a1 a38" order="S"/>
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                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
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                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              id="a29"
                              x3="-2.917841"
                              y3="-1.696435"
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                              x3="-0.159421"
                              y3="-2.165259"
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                        <atom elementType="O"
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                              x3="-0.251818"
                              y3="-3.234799"
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                              id="a34"
                              x3="-1.282655"
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                        <atom elementType="H"
                              id="a35"
                              x3="0.634564"
                              y3="1.510355"
                              z3="2.757861"/>
                        <atom elementType="B"
                              id="a36"
                              x3="-0.086405"
                              y3="1.700976"
                              z3="1.784773"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.369979"
                              y3="2.763018"
                              z3="0.820073"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041898"
                              y3="0.96943"
                              z3="-1.370675"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.055734"
                              y3="-1.177736"
                              z3="-1.750311"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                        <atom elementType="H"
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                        <bond atomRefs2="a1 a38" order="S"/>
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                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
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                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
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                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
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                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="0.094052"
                              y3="0.381754"
                              z3="1.306598"/>
                        <atom elementType="H"
                              id="a3"
                              x3="0.196804"
                              y3="1.371118"
                              z3="-0.631441"/>
                        <atom elementType="P"
                              id="a4"
                              x3="-2.364462"
                              y3="-0.262607"
                              z3="-0.242134"/>
                        <atom elementType="P"
                              id="a5"
                              x3="2.331147"
                              y3="-0.550456"
                              z3="-0.328142"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.068041"
                              y3="-2.191775"
                              z3="-0.005176"/>
                        <atom elementType="H"
                              id="a7"
                              x3="4.165726"
                              y3="-2.160249"
                              z3="-0.078044"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.778909"
                              y3="-2.527494"
                              z3="1.00097"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.670278"
                              y3="-2.912433"
                              z3="-0.733937"/>
                        <atom elementType="C"
                              id="a10"
                              x3="3.063794"
                              y3="-0.091733"
                              z3="-1.941914"/>
                        <atom elementType="H"
                              id="a11"
                              x3="2.767489"
                              y3="0.93765"
                              z3="-2.191208"/>
                        <atom elementType="H"
                              id="a12"
                              x3="4.162557"
                              y3="-0.157977"
                              z3="-1.923193"/>
                        <atom elementType="H"
                              id="a13"
                              x3="2.662295"
                              y3="-0.760891"
                              z3="-2.715902"/>
                        <atom elementType="C"
                              id="a14"
                              x3="3.213994"
                              y3="0.545514"
                              z3="0.836886"/>
                        <atom elementType="H"
                              id="a15"
                              x3="2.89404"
                              y3="0.309229"
                              z3="1.861391"/>
                        <atom elementType="H"
                              id="a16"
                              x3="4.306806"
                              y3="0.449161"
                              z3="0.747002"/>
                        <atom elementType="H"
                              id="a17"
                              x3="2.910693"
                              y3="1.581122"
                              z3="0.628186"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-3.017603"
                              y3="1.401189"
                              z3="-0.629478"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-4.117496"
                              y3="1.41808"
                              z3="-0.594136"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.615482"
                              y3="2.108182"
                              z3="0.110072"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.680723"
                              y3="1.702555"
                              z3="-1.631869"/>
                        <atom elementType="C"
                              id="a22"
                              x3="-3.255839"
                              y3="-1.343797"
                              z3="-1.418025"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-2.99388"
                              y3="-2.389865"
                              z3="-1.202781"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.347121"
                              y3="-1.215337"
                              z3="-1.348531"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-2.916501"
                              y3="-1.115559"
                              z3="-2.438221"/>
                        <atom elementType="C"
                              id="a26"
                              x3="-3.153267"
                              y3="-0.656145"
                              z3="1.35759"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-2.722629"
                              y3="0.006774"
                              z3="2.121537"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-4.245482"
                              y3="-0.526328"
                              z3="1.31624"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-2.917841"
                              y3="-1.696437"
                              z3="1.625641"/>
                        <atom elementType="C"
                              id="a30"
                              x3="-0.15942"
                              y3="-2.16526"
                              z3="0.475912"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-0.251817"
                              y3="-3.234807"
                              z3="0.9049"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.209149"
                              y3="3.255796"
                              z3="1.107838"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-0.336136"
                              y3="3.460843"
                              z3="0.60919"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.282654"
                              y3="1.721399"
                              z3="2.052559"/>
                        <atom elementType="H"
                              id="a35"
                              x3="0.634566"
                              y3="1.510356"
                              z3="2.757861"/>
                        <atom elementType="B"
                              id="a36"
                              x3="-0.086405"
                              y3="1.700974"
                              z3="1.784774"/>
                        <atom elementType="N"
                              id="a37"
                              x3="0.369974"
                              y3="2.763016"
                              z3="0.820072"/>
                        <atom elementType="H"
                              id="a38"
                              x3="0.041899"
                              y3="0.969431"
                              z3="-1.370672"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.055734"
                              y3="-1.177734"
                              z3="-1.75031"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a38" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a30" order="S"/>
                        <bond atomRefs2="a1 a39" order="S"/>
                        <bond atomRefs2="a2 a36" order="S"/>
                        <bond atomRefs2="a4 a18" order="S"/>
                        <bond atomRefs2="a4 a26" order="S"/>
                        <bond atomRefs2="a4 a22" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a10" order="S"/>
                        <bond atomRefs2="a5 a14" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a10 a12" order="S"/>
                        <bond atomRefs2="a10 a13" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a14 a16" order="S"/>
                        <bond atomRefs2="a14 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a22 a25" order="S"/>
                        <bond atomRefs2="a22 a24" order="S"/>
                        <bond atomRefs2="a26 a28" order="S"/>
                        <bond atomRefs2="a26 a29" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a32 a37" order="S"/>
                        <bond atomRefs2="a33 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                     </bondArray>
                     <formula concise="C7H26BNOOsP2">
                        <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">377.0695219999999</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:18,22,26,4;6,10,14,5;30,31;36,37;1;3;38;39/E:2*(1,2,3);;;;;;/CRV:;;1.1,2.1;1.4;;;;/rA:39nOsH2HP4P4CHHHCHHHCHHHCHHHCHHHCHHHC2O1HHHHB4NHH/rB:s1;s1;s1;s1;s5;s6;s6;s6;s5;s10;s10;s10;s5;s14;s14;s14;s4;s18;s18;s18;s4;s22;s22;s22;s4;s26;s26;s26;s1;s30;;;;;s2s34s35;s32s33s36;s1;s1;/rC:-.0217,-.4573,-.2501;.0941,.3818,1.3066;.1968,1.3711,-.6314;-2.3645,-.2626,-.2421;2.3311,-.5505,-.3281;3.068,-2.1918,-.0052;4.1657,-2.1602,-.078;2.7789,-2.5275,1.001;2.6703,-2.9124,-.7339;3.0638,-.0917,-1.9419;2.7675,.9376,-2.1912;4.1626,-.158,-1.9232;2.6623,-.7609,-2.7159;3.214,.5455,.8369;2.894,.3092,1.8614;4.3068,.4492,.747;2.9107,1.5811,.6282;-3.0176,1.4012,-.6295;-4.1175,1.4181,-.5941;-2.6155,2.1082,.1101;-2.6807,1.7026,-1.6319;-3.2558,-1.3438,-1.418;-2.9939,-2.3899,-1.2028;-4.3471,-1.2153,-1.3485;-2.9165,-1.1156,-2.4382;-3.1533,-.6561,1.3576;-2.7226,.0068,2.1215;-4.2455,-.5263,1.3162;-2.9178,-1.6964,1.6256;-.1594,-2.1653,.4759;-.2518,-3.2348,.9049;1.2091,3.2558,1.1078;-.3361,3.4608,.6092;-1.2827,1.7214,2.0526;.6346,1.5104,2.7579;-.0864,1.701,1.7848;.37,2.763,.8201;.0419,.9694,-1.3707;-.0557,-1.1777,-1.7503;/R:/0/N:6,10,14,18,22,26,30,36,37,31,1,5,4,2/E:(1,2,3,4,5,6)(12,13)/CRV:7.2,8.4,10.1,11.7,12.4,13.4,14.2</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458583701329</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458567824518</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458555967252</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458547230754</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458538665685</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458542319334</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458534745477</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458530089495</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458463433856</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458489549498</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458528102889</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458524111524</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458534937827</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458539055322</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458543593114</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458544749533</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458547322889</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458548215736</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549907256</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549533151</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458550086848</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549745365</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549984550</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549792018</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549961644</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549803101</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549974808</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549807625</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549975176</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549819838</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549975250</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549829591</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549974910</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549836568</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549971795</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549843581</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549976825</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549848767</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549980124</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549848474</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549978555</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549857609</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549979031</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549863091</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549973408</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549870348</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549974772</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549872356</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549982702</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549877057</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549981966</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549887841</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549984865</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549890721</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549975312</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549895719</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549980012</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549893231</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549975342</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549899291</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549978267</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549905421</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549973189</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549905493</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549978166</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549908775</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549982599</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549912702</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="39">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="39">Os H H P P C H H H C H H H C H H H C H H H C H H H C H H H C O H H H H B N H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="39">-1.082597 0.006047 0.143792 0.826788 0.821406 -0.204050 0.032285 0.046063 0.048214 -0.205519 0.042923 0.032075 0.046678 -0.200496 0.051149 0.029286 0.045321 -0.204065 0.033300 0.050116 0.040853 -0.204567 0.045823 0.030059 0.044939 -0.200473 0.054562 0.030770 0.044118 0.145830 -0.036271 0.058576 0.059966 -0.060518 -0.045935 -0.285243 -0.121148 0.093888 -0.053945</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="39">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="39">Os H H P P C H H H C H H H C H H H C H H H C H H H C H H H C O H H H H B N H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="39">16.3608 1.1511 0.8531 14.9009 14.9079 6.1771 0.9340 0.9071 0.9061 6.1752 0.9170 0.9355 0.9057 6.1582 0.9008 0.9398 0.9150 6.1804 0.9341 0.9036 0.9187 6.1581 0.9115 0.9390 0.9125 6.1661 0.8893 0.9375 0.9147 5.9341 8.1568 0.8950 0.8973 1.0895 1.0650 5.0129 7.2480 0.9333 1.0573</array>
                     <array dataType="xsd:double" dictRef="o:za" size="39">16.0000 1.0000 1.0000 15.0000 15.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 8.0000 1.0000 1.0000 1.0000 1.0000 5.0000 7.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="39">-0.3608 -0.1511 0.1469 0.0991 0.0921 -0.1771 0.0660 0.0929 0.0939 -0.1752 0.0830 0.0645 0.0943 -0.1582 0.0992 0.0602 0.0850 -0.1804 0.0659 0.0964 0.0813 -0.1581 0.0885 0.0610 0.0875 -0.1661 0.1107 0.0625 0.0853 0.0659 -0.1568 0.1050 0.1027 -0.0895 -0.0650 -0.0129 -0.2480 0.0667 -0.0573</array>
                     <array dataType="xsd:double" dictRef="o:va" size="39">5.0722 0.9080 1.0252 4.1507 4.1285 3.8835 0.9883 0.9888 0.9882 3.8693 0.9903 0.9883 0.9875 3.8637 0.9913 0.9855 1.0064 3.8774 0.9891 1.0109 0.9865 3.8663 0.9887 0.9870 0.9901 3.8614 1.0083 0.9874 0.9909 3.6532 2.4945 0.9961 0.9948 0.9534 0.9660 3.6174 3.2134 0.9735 1.0221</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="39">5.0722 0.9080 1.0252 4.1507 4.1285 3.8835 0.9883 0.9888 0.9882 3.8693 0.9903 0.9883 0.9875 3.8637 0.9913 0.9855 1.0064 3.8774 0.9891 1.0109 0.9865 3.8663 0.9887 0.9870 0.9901 3.8614 1.0083 0.9874 0.9909 3.6532 2.4945 0.9961 0.9948 0.9534 0.9660 3.6174 3.2134 0.9735 1.0221</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="39">-0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -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="43">0.4061 0.3099 0.7181 0.6964 1.2214 0.2096 0.1610 0.3465 0.7951 0.3903 0.1227 0.5470 0.1361 1.0185 1.0015 1.0083 1.0208 1.0054 1.0076 0.9514 0.9578 0.9618 0.9616 0.9499 0.9610 0.9573 0.9482 0.9519 0.9494 0.9570 0.9602 0.9598 0.9500 0.9605 0.9493 0.9499 0.9564 2.2161 0.9680 0.9671 0.9314 0.9586 1.0798</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="43">0 1 0 2 0 3 0 4 0 29 0 30 0 35 0 37 0 38 1 35 2 36 2 37 3 4 3 17 3 21 3 25 4 5 4 9 4 13 5 6 5 7 5 8 9 10 9 11 9 12 13 14 13 15 13 16 17 18 17 19 17 20 21 22 21 23 21 24 25 26 25 27 25 28 29 30 31 36 32 36 33 35 34 35 35 36</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="mullikenpopulation">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="39">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="39">Os H H P P C H H H C H H H C H H H C H H H C H H H C H H H C O H H H H B N H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="39">-0.360847 -0.151137 0.146883 0.099120 0.092090 -0.177094 0.066016 0.092897 0.093872 -0.175167 0.082969 0.064534 0.094338 -0.158223 0.099185 0.060225 0.085031 -0.180437 0.065947 0.096381 0.081250 -0.158145 0.088533 0.061045 0.087537 -0.166135 0.110710 0.062453 0.085348 0.065949 -0.156790 0.104992 0.102656 -0.089475 -0.064998 -0.012913 -0.247951 0.066695 -0.057346</array>
                  </module>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="109">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</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="109">47.89 56.14 69.20 77.53 89.70 110.51 125.19 164.08 171.24 196.09 197.67 202.96 204.66 208.69 210.71 221.37 225.02 228.54 233.53 254.53 259.27 262.09 274.49 277.33 323.45 345.73 368.06 375.88 494.02 516.05 519.05 564.88 594.64 612.93 657.07 687.18 692.77 724.95 730.90 745.08 746.71 749.08 752.15 763.33 782.02 782.53 851.01 852.23 859.72 861.17 884.37 945.83 953.48 955.35 956.60 958.08 961.27 982.61 1002.83 1013.56 1122.84 1133.91 1193.80 1285.77 1289.88 1291.03 1292.44 1309.28 1311.94 1415.51 1417.74 1427.56 1428.10 1429.31 1429.57 1432.22 1435.62 1437.23 1439.29 1448.60 1451.58 1593.87 1717.85 1801.09 2095.25 2108.99 2449.88 2501.96 3054.93 3058.13 3058.72 3058.84 3059.16 3060.96 3061.96 3170.66 3171.68 3171.92 3172.72 3174.87 3177.17 3184.55 3184.82 3184.89 3185.09 3185.96 3188.96 3589.05 3672.95</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="109">0.000787 0.002288 0.001882 0.000854 0.000152 0.000382 0.001343 0.000475 0.000040 0.000222 0.000392 0.000878 0.000203 0.000657 0.000497 0.000556 0.000154 0.000109 0.000134 0.000105 0.000182 0.000601 0.001477 0.001880 0.001868 0.007460 0.000199 0.002958 0.000478 0.001885 0.001183 0.008511 0.003644 0.001282 0.000419 0.004337 0.000245 0.004373 0.004967 0.000878 0.001458 0.000677 0.001647 0.004269 0.000007 0.000007 0.000029 0.000323 0.000673 0.001092 0.008373 0.009476 0.000739 0.004282 0.002193 0.010702 0.023133 0.001946 0.005634 0.003971 0.007093 0.004662 0.004356 0.001229 0.000967 0.001017 0.000910 0.000791 0.000256 0.000018 0.000012 0.000081 0.000082 0.000013 0.000103 0.000380 0.000428 0.000508 0.000447 0.000557 0.000187 0.001187 0.000155 0.036043 0.014040 0.008188 0.003313 0.005121 0.001099 0.000059 0.000118 0.000314 0.000385 0.000218 0.000167 0.000110 0.000043 0.000021 0.000259 0.000093 0.000103 0.000013 0.000002 0.000001 0.000012 0.000019 0.000015 0.000085 0.000104</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="109">-0.009541 0.007361 -0.025327 0.007177 -0.010446 -0.046128 0.010052 -0.042061 -0.003362 0.011132 0.026984 -0.001380 -0.009076 -0.008149 0.001771 0.000461 -0.014122 0.013521 0.028517 -0.015494 0.017021 0.021030 0.001306 0.005563 0.001653 -0.002103 0.005771 -0.014197 -0.004202 -0.001538 -0.018843 -0.004081 -0.004491 -0.008813 -0.017823 -0.021980 0.001188 0.011738 -0.008006 0.013605 0.021235 -0.004621 -0.015854 0.005155 -0.014791 0.016766 0.005702 0.015567 0.007202 -0.007361 0.006917 -0.004110 0.002730 0.009193 0.009675 -0.003469 -0.005290 0.004422 0.007714 0.005134 0.009748 0.008632 -0.003492 0.021635 0.010916 -0.003658 -0.011686 -0.036214 -0.005385 -0.016522 -0.009418 -0.038962 0.006386 -0.041618 0.009729 -0.086199 0.004885 -0.002502 0.002151 -0.000066 0.013958 0.008025 0.031425 0.043660 0.019056 -0.008788 0.006101 -0.003537 -0.031104 0.030078 0.028367 0.005281 -0.018730 -0.033601 -0.076492 0.039128 -0.026444 -0.045139 -0.030123 -0.014365 -0.004045 -0.032552 -0.002619 -0.001456 0.020242 -0.065810 0.000156 0.002411 0.009690 0.001113 -0.012228 -0.065546 0.004026 0.007777 -0.040978 0.050173 0.027759 -0.000474 0.001287 0.029603 0.006979 0.022451 0.030081 0.004897 -0.023756 0.009408 -0.001335 -0.040256 -0.004968 -0.064253 -0.009389 0.007236 0.001496 0.000595 0.002188 0.002512 0.000499 0.000228 -0.000706 0.004944 -0.002094 0.017781 0.002282 -0.001393 -0.000927 0.021186 -0.014957 0.004018 0.008484 0.031678 -0.016729 -0.077784 -0.045202 0.005483 0.063486 0.073590 -0.008476 0.021645 0.014110 -0.007658 -0.004748 -0.064814 0.026633 -0.000986 -0.038511 0.040896 0.078892 0.052964 -0.147718 0.034089 0.012275 0.000243 -0.038621 -0.021307 -0.003377 0.059767 0.045281 0.010507 0.051654 -0.034528 -0.011469 0.074994 0.036564 -0.018287 -0.053352 -0.038484 -0.020324 -0.062529 0.005714 -0.000634 0.030766 -0.016780 0.001711 -0.009407 0.029595 0.006060 -0.007737 -0.030345 -0.004062 -0.028754 -0.008166 -0.027439 -0.005948 -0.001525 -0.013784 0.007422 0.003320 -0.001344 0.000079 0.003970 -0.000697 0.001621 -0.002987 -0.006283 0.006326 -0.001268 0.002871 -0.008590 -0.000461 0.001913 -0.002450 -0.001718 -0.000865 -0.003830 0.009369 0.001260 0.016579 -0.010161 0.000007 -0.018738 -0.008761 0.001729 -0.010552 -0.019840 0.001535 0.009896 -0.018629 0.022847 -0.005572 0.001950 -0.012925 0.003362 0.003011 -0.006278 -0.032495 0.009585 0.009575 -0.007334 -0.003012 0.000114 -0.132210 -0.136250 0.006764 0.114934 -0.028012 0.007007 0.077549 -0.046097 0.036248 0.008332 -0.043928 0.063932 -0.008978 0.030871 -0.003440 -0.017738 -0.027789 0.006297 0.002520 -0.003574 0.009704 0.004527 -0.001757 -0.017360 -0.000912 0.003499 -0.013646 -0.000379 -0.014084 -0.014385 -0.000125 0.003338 -0.012168 0.004373 -0.000333 0.010194 -0.001599 -0.001749 -0.005283 0.002064 0.003268 -0.004034 -0.001201 -0.001670 0.015954 -0.001983 -0.000763 0.009280 -0.002473 -0.000583 0.009893 0.001536 0.001803 -0.002581 -0.001807 0.001877 0.000242 -0.000827 -0.001168 -0.000273 0.000160 -0.001139 0.002776 0.002047 -0.000281 -0.001501 -0.002881 -0.002903 -0.003841 0.000630 -0.000227 0.000610 0.008815 0.002548 -0.008927 0.000344 -0.004911</matrix>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="109">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</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="109">48.78 56.04 68.74 74.36 89.36 111.55 122.27 163.67 171.05 195.85 197.22 203.01 204.01 208.12 210.33 220.64 224.28 228.05 232.33 251.84 255.60 260.41 271.64 275.78 320.21 345.62 368.20 382.04 493.83 511.92 517.62 568.29 597.63 614.82 661.09 687.55 692.96 726.45 733.83 745.07 746.85 749.54 752.30 761.94 781.59 782.03 851.02 852.10 859.84 861.15 887.92 947.91 953.55 955.34 956.01 958.21 961.15 983.16 1001.99 1017.48 1125.47 1137.91 1196.08 1285.91 1289.65 1291.00 1292.18 1309.29 1311.73 1415.84 1417.65 1426.44 1428.12 1429.32 1429.54 1432.41 1435.47 1437.16 1439.12 1448.21 1451.39 1594.69 1710.17 1806.36 2096.65 2110.44 2449.05 2501.13 3057.89 3058.49 3058.72 3059.38 3059.87 3061.22 3061.92 3170.46 3171.50 3171.99 3172.89 3174.82 3177.26 3184.44 3184.73 3184.91 3185.03 3188.49 3189.39 3593.26 3675.79</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="109">0.000804 0.002222 0.001686 0.000877 0.000154 0.000379 0.001255 0.000552 0.000039 0.000448 0.000339 0.000835 0.000175 0.000704 0.000598 0.000597 0.000113 0.000077 0.000170 0.000813 0.000180 0.000159 0.001346 0.001118 0.002119 0.007370 0.000264 0.002983 0.000482 0.001852 0.000917 0.008143 0.003873 0.001107 0.000362 0.004202 0.000215 0.003520 0.004959 0.000762 0.001636 0.000635 0.001865 0.004789 0.000005 0.000005 0.000027 0.000315 0.000754 0.001157 0.008235 0.006227 0.000573 0.002708 0.002311 0.013616 0.023492 0.002313 0.005481 0.003902 0.003442 0.007884 0.004688 0.001218 0.000959 0.001021 0.000931 0.000793 0.000243 0.000014 0.000011 0.000077 0.000090 0.000034 0.000076 0.000391 0.000428 0.000503 0.000456 0.000536 0.000190 0.001237 0.000092 0.035948 0.015939 0.006842 0.003386 0.005060 0.000563 0.000042 0.000181 0.000330 0.001019 0.000254 0.000172 0.000109 0.000050 0.000045 0.000228 0.000092 0.000112 0.000011 0.000004 0.000001 0.000012 0.000020 0.000010 0.000081 0.000100</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="109">-0.010366 0.002217 -0.026295 0.008815 -0.007146 -0.045754 -0.010286 0.039627 0.003118 -0.003978 -0.029342 0.000064 0.009175 0.008191 -0.001656 0.004385 -0.011476 0.015089 -0.028141 0.014634 -0.015781 0.022677 0.000677 0.006129 0.002342 -0.001962 0.005463 0.020610 0.003815 0.002977 0.017649 0.002810 0.004385 -0.008544 -0.014729 -0.023338 0.001368 0.012911 -0.002469 0.015166 0.021521 -0.003342 -0.016640 0.006401 -0.016731 0.017595 0.003110 0.016660 0.004365 -0.008231 0.005090 -0.002443 0.002710 0.007954 0.010186 -0.004439 -0.006831 0.022766 0.016303 0.005393 -0.012218 -0.004066 0.003814 0.012131 0.003114 0.001542 -0.010281 -0.024977 -0.024826 0.004605 -0.017620 0.028045 0.006794 -0.045019 0.006785 -0.085747 0.004076 -0.000894 0.003558 0.000306 0.015862 0.010571 0.032745 0.042415 0.020407 -0.006319 0.005084 0.020054 0.018242 -0.033423 0.012955 -0.025610 0.009639 -0.031293 -0.071955 0.044566 0.025194 0.048341 0.030020 -0.015778 -0.003145 -0.029121 0.002188 -0.001221 0.018859 -0.064771 0.000089 0.002572 0.007957 0.001750 -0.012197 -0.058864 0.002360 0.007053 -0.045652 0.046940 0.025912 0.001795 -0.000342 0.027550 0.003203 0.025850 0.030947 -0.006156 0.020590 -0.013140 0.001755 0.042635 0.006615 -0.068106 -0.010163 0.006878 -0.000893 -0.000239 -0.002018 -0.002167 -0.000129 -0.000607 -0.000104 -0.004267 0.002939 0.017555 0.001647 -0.002035 -0.000562 0.023803 -0.013683 0.004170 0.009579 0.032370 -0.017269 -0.076157 -0.046230 0.001356 0.051438 0.059828 -0.009154 0.017830 0.013079 -0.006771 0.007603 -0.051038 0.023666 0.007091 -0.041235 0.035939 0.084558 0.071930 -0.149382 0.031814 0.012858 0.001248 -0.040984 -0.025135 0.001964 -0.061842 -0.040650 0.009904 0.050363 -0.035608 -0.017728 0.051219 0.022463 -0.013044 -0.072770 -0.049177 -0.018998 -0.065637 0.004345 -0.000445 0.030632 -0.016731 0.002018 -0.007089 0.030081 0.005981 -0.007517 -0.030473 -0.003869 -0.029622 -0.006173 0.027555 0.005607 0.001356 -0.013130 0.007613 0.003505 -0.001008 0.000033 0.003623 -0.000702 0.001397 -0.002968 -0.006713 0.005616 -0.000602 0.003071 -0.008937 -0.000545 0.002155 -0.000504 -0.005370 0.000418 -0.004371 0.007525 0.001029 0.016827 -0.010333 -0.000100 -0.019079 -0.007972 0.001905 -0.010368 -0.019798 0.001837 0.009192 -0.019176 0.022477 -0.004982 0.002473 -0.013057 0.003321 0.002842 -0.005996 -0.033311 0.009576 0.009440 -0.000867 0.001403 -0.000580 0.131875 0.136224 0.006896 0.123076 -0.027270 0.006605 0.066839 -0.048283 0.038341 0.007981 -0.043042 0.062948 -0.008647 0.031977 -0.001579 -0.018033 -0.015346 -0.005816 0.002435 -0.001544 0.013351 -0.000758 -0.001583 -0.016287 -0.001260 0.007967 -0.014628 -0.012623 -0.025412 -0.011401 0.004140 0.010359 -0.012512 0.003739 -0.001204 0.010210 -0.001483 -0.001722 -0.006091 0.001989 0.002985 -0.006394 -0.000920 -0.001811 0.014902 -0.002138 -0.000973 0.009238 -0.002461 -0.000599 0.010365 0.001057 0.001846 -0.002410 -0.001998 0.001281 0.001399 0.000320 -0.001320 -0.000127 0.000391 -0.001139 0.002809 0.001946 -0.000204 -0.000913 -0.002965 -0.003222 -0.003200 0.000134 -0.000291 0.000477 0.008688 0.002376 -0.008948 0.000529 -0.004429</matrix>
               </module>
               <module cmlx:templateRef="irspectrum">
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               </module>
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               </module>
               <module cmlx:templateRef="irspectrum">
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               </module>
               <module cmlx:templateRef="orbitalenergies">
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                        x3="-0.055749"
                        y3="-1.177672"
                        z3="-1.750325"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a38" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a30" order="S"/>
                  <bond atomRefs2="a1 a39" order="S"/>
                  <bond atomRefs2="a2 a36" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a32 a37" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
               </bondArray>
               <formula concise="C7H26BNOOsP2">
                  <atomArray count="7 26 1 1 1 1 2" elementType="C H B N O Os P"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">377.0695219999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2C3H9P.CO.BH5N.Os.3H/c2*1-4(2)3;2*1-2;;;;/h2*1-3H3;;2H2,1H3;;;;/rC7H26BNOOsP2/c1-12(2,3)11(7-10,14-8-9)13(4,5)6/h8-9H2,1-6,11H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:18,22,26,4;6,10,14,5;30,31;36,37;1;3;38;39/E:2*(1,2,3);;;;;;/CRV:;;1.1,2.1;1.4;;;;/rA:39nOsH2HP4P4CHHHCHHHCHHHCHHHCHHHCHHHC2O1HHHHB4NHH/rB:s1;s1;s1;s1;s5;s6;s6;s6;s5;s10;s10;s10;s5;s14;s14;s14;s4;s18;s18;s18;s4;s22;s22;s22;s4;s26;s26;s26;s1;s30;;;;;s2s34s35;s32s33s36;s1;s1;/rC:-.0217,-.4572,-.2501;.0941,.3817,1.3066;.1968,1.3711,-.6314;-2.3645,-.2626,-.2421;2.3312,-.5504,-.3281;3.0681,-2.1917,-.0048;4.1658,-2.1602,-.0777;2.7789,-2.5272,1.0014;2.6703,-2.9125,-.7334;3.0638,-.0921,-1.942;2.7675,.9373,-2.1915;4.1626,-.1583,-1.9233;2.6623,-.7614,-2.7159;3.214,.5458,.8367;2.894,.3097,1.8612;4.3068,.4494,.7468;2.9107,1.5813,.6278;-3.0176,1.4013,-.6294;-4.1175,1.4181,-.594;-2.6155,2.1082,.1102;-2.6807,1.7027,-1.6317;-3.2558,-1.3437,-1.4181;-2.9939,-2.3898,-1.2029;-4.3471,-1.2152,-1.3486;-2.9165,-1.1154,-2.4383;-3.1533,-.6562,1.3576;-2.7226,.0066,2.1216;-4.2455,-.5264,1.3162;-2.9179,-1.6965,1.6256;-.1594,-2.1653,.4759;-.2519,-3.2352,.9038;1.2091,3.2558,1.108;-.3362,3.4608,.6094;-1.2826,1.7213,2.0527;.6346,1.5103,2.7579;-.0864,1.7009,1.7849;.3699,2.763,.8202;.0419,.9695,-1.3706;-.0557,-1.1777,-1.7503;/R:/0/N:6,10,14,18,22,26,30,36,37,31,1,5,4,2/E:(1,2,3,4,5,6)(12,13)/CRV:7.2,8.4,10.1,11.7,12.4,13.4,14.2</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">-1209.41009013</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">1319.29615215</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-2528.70624227</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-4315.38289514</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1786.67665286</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-2352.10236367</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">1142.69227354</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.05838651</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">67.000002549430</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">67.000002549430</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">134.000005098861</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-88.207009106741</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-4.700011325214</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-92.907020431954</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048493574</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048471151</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048453560</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048434272</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048420905</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048444501</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11668802</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11574381</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03322096</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01565057</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.06971760</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11574381</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.06971760</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-1209.18546141</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.27308091</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048459106</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048470218</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048487478</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048505222</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048498655</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11660354</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11565933</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03329096</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564808</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.06978510</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048474207</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048485882</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048500687</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048506416</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048518897</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11567783</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11473362</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03535604</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564648</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07184859</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048520381</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048534806</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048532529</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048531770</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048536570</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568841</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474420</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03527598</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564552</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07176757</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533113</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533895</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533553</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533763</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533579</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568823</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474402</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03525958</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175137</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533711</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533618</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533715</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533623</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533714</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568820</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474399</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03526707</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175886</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533619</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533717</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533623</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533714</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533625</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568824</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474403</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03526040</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175219</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533711</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533626</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533709</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533627</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533707</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568822</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474401</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03526653</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175833</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533630</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533710</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533628</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533713</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533632</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568826</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474405</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03526086</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175266</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533704</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533634</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533705</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533634</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533704</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568823</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474402</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03526610</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175790</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533631</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533705</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533634</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533705</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533635</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568827</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474406</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03526126</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175306</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533702</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533639</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533702</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533637</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533701</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568824</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474403</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03526573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175753</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533637</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533703</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533639</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533700</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533638</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568828</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474407</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03526158</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175338</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533700</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533643</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="338">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</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="338">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 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</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="338"
                            units="nonsi:electronvolt">-2101.6438 -2101.6005 -523.9441 -390.0689 -280.9666 -278.7183 -278.7161 -278.6701 -278.6039 -278.5392 -278.4774 -183.2794 -180.6811 -180.6322 -130.0736 -130.0682 -130.0245 -130.0194 -130.0130 -129.9661 -94.1360 -51.6126 -51.1480 -50.9154 -30.3756 -22.4121 -21.7386 -21.6529 -19.5079 -19.4400 -19.3994 -19.3287 -15.9615 -15.2715 -15.1778 -14.1679 -13.4123 -12.8090 -12.6525 -12.6106 -12.3476 -12.3352 -12.2904 -12.1846 -12.1067 -11.9533 -11.7698 -11.5290 -11.4955 -11.3967 -11.2905 -11.0245 -10.9717 -10.2959 -9.8285 -9.7708 -9.7381 -9.6995 -9.6428 -9.3131 -7.9370 -7.5811 -7.3127 -7.0250 -6.7301 -6.1651 -5.7194 0.0798 0.6497 0.7883 1.2602 1.4924 1.6458 1.8466 2.0676 2.1777 2.4575 2.6187 2.6388 2.8116 3.0142 3.1496 3.2133 3.3395 3.5695 3.6164 3.8139 3.9128 3.9525 4.1651 4.2824 4.3245 4.3738 4.5061 4.5227 4.6762 4.8285 5.0356 5.3325 5.4713 5.6432 6.2856 6.6071 6.8459 7.4802 7.9129 8.4185 9.1536 9.2583 9.4420 9.7234 9.9235 10.0288 10.2924 10.5593 10.6515 11.6769 11.8669 11.9765 12.6106 12.9293 13.4218 13.7293 13.9140 14.2389 14.4575 14.8398 15.0070 15.3665 15.7263 15.7923 16.1359 16.3932 16.5969 16.6415 16.8483 17.0422 17.0619 17.2722 17.3427 17.5790 17.6660 17.8187 17.8770 17.9759 18.3796 18.4267 18.5383 18.6438 18.7797 19.1266 19.2131 19.2247 19.3364 19.3828 19.5809 19.7904 19.8240 19.8341 20.0820 20.1842 20.2797 20.5263 20.7412 20.9248 21.1151 21.2924 21.4510 21.5956 21.9866 22.1098 22.3741 22.7614 23.0199 23.6571 23.8279 24.5043 24.8795 25.4909 25.6612 25.9449 26.2342 26.4814 26.6013 26.9884 27.1772 27.6386 28.4327 28.7091 28.8644 29.0520 29.3982 29.5946 30.1428 31.0356 31.2740 31.8990 32.2410 32.2958 32.7594 33.0404 33.1593 33.5675 33.6065 33.9079 34.0944 34.7743 35.1100 35.7249 36.0337 37.2551 38.2771 38.5271 39.3684 39.6734 39.9242 40.1884 40.6187 40.7673 41.0329 41.2130 41.4260 41.5014 41.6113 41.8136 41.8500 42.0801 42.7166 43.1141 43.6098 44.8070 45.6074 45.8537 46.8815 47.1701 47.3923 47.4694 47.5239 47.6840 47.7262 47.8576 48.1572 48.7267 48.9566 49.0327 49.0797 49.5162 49.8063 49.9268 49.9879 50.0876 50.5500 50.8383 51.0820 51.9707 52.2164 52.2754 52.4122 52.6002 52.7718 52.9612 53.1380 53.3115 53.3728 53.4590 53.5770 53.6510 53.9784 54.0947 54.4927 54.8849 54.9876 55.0604 55.1528 55.3219 55.5261 56.7610 57.9142 59.2970 59.6417 59.7743 60.3528 60.5948 60.9993 61.2225 61.3555 61.4165 61.5340 62.4958 63.2031 65.3463 66.2212 66.2760 66.4167 66.4908 66.5448 66.6357 66.6935 66.7769 66.8751 67.0584 67.6385 67.7234 70.5589 71.0419 72.3013 72.4358 72.7632 72.9531 74.0236 74.1550 74.3605 74.4040 76.6285 76.7940 78.1147 79.4023 79.6279 79.6972 79.8060 79.9426 80.1055 80.1339 80.1822 80.4938 80.6149 80.8020 80.9509 81.9646 83.4451 83.6794 87.1000 88.3303 88.5327 94.1923 102.8787 1689.2480 11813.1979</array>
                  </list>
               </module>
               <module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="39">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="39">Os H H P P C H H H C H H H C H H H C H H H C H H H C H H H C O H H H H B N H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="39">-0.351072 -0.148692 0.151538 0.097705 0.086892 -0.176369 0.066973 0.093160 0.092481 -0.170898 0.082258 0.063817 0.094034 -0.157758 0.102552 0.061120 0.079607 -0.179859 0.065849 0.095537 0.081815 -0.157679 0.088515 0.061008 0.087336 -0.165549 0.109645 0.062403 0.085419 0.062825 -0.156584 0.105862 0.102966 -0.088315 -0.066340 -0.015663 -0.248927 0.063886 -0.061497</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="39">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="39">Os H H P P C H H H C H H H C H H H C H H H C H H H C H H H C O H H H H B N H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="39">-1.080213 0.006876 0.145081 0.827323 0.820590 -0.203906 0.032621 0.046758 0.047656 -0.205423 0.042586 0.031541 0.046895 -0.201443 0.052356 0.029374 0.043038 -0.203681 0.033276 0.050048 0.041131 -0.204438 0.045875 0.029997 0.044910 -0.200561 0.054059 0.030771 0.044105 0.145829 -0.036396 0.058889 0.059732 -0.059935 -0.046758 -0.286018 -0.120123 0.090936 -0.053357</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="39">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="39">Os H H P P C H H H C H H H C H H H C H H H C H H H C H H H C O H H H H B N H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="39">16.3511 1.1487 0.8485 14.9023 14.9131 6.1764 0.9330 0.9068 0.9075 6.1709 0.9177 0.9362 0.9060 6.1578 0.8974 0.9389 0.9204 6.1799 0.9342 0.9045 0.9182 6.1577 0.9115 0.9390 0.9127 6.1655 0.8904 0.9376 0.9146 5.9372 8.1566 0.8941 0.8970 1.0883 1.0663 5.0157 7.2489 0.9361 1.0615</array>
                     <array dataType="xsd:double" dictRef="o:za" size="39">16.0000 1.0000 1.0000 15.0000 15.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 8.0000 1.0000 1.0000 1.0000 1.0000 5.0000 7.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="39">-0.3511 -0.1487 0.1515 0.0977 0.0869 -0.1764 0.0670 0.0932 0.0925 -0.1709 0.0823 0.0638 0.0940 -0.1578 0.1026 0.0611 0.0796 -0.1799 0.0658 0.0955 0.0818 -0.1577 0.0885 0.0610 0.0873 -0.1655 0.1096 0.0624 0.0854 0.0628 -0.1566 0.1059 0.1030 -0.0883 -0.0663 -0.0157 -0.2489 0.0639 -0.0615</array>
                     <array dataType="xsd:double" dictRef="o:va" size="39">5.0532 0.9106 1.0252 4.1515 4.1317 3.8885 0.9881 0.9880 0.9877 3.8646 0.9883 0.9880 0.9883 3.8634 0.9923 0.9854 1.0074 3.8780 0.9891 1.0108 0.9865 3.8669 0.9887 0.9870 0.9901 3.8614 1.0096 0.9874 0.9912 3.6555 2.4957 0.9962 0.9948 0.9545 0.9646 3.6224 3.2145 0.9727 1.0216</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="39">5.0532 0.9106 1.0252 4.1515 4.1317 3.8885 0.9881 0.9880 0.9877 3.8646 0.9883 0.9880 0.9883 3.8634 0.9923 0.9854 1.0074 3.8780 0.9891 1.0108 0.9865 3.8669 0.9887 0.9870 0.9901 3.8614 1.0096 0.9874 0.9912 3.6555 2.4957 0.9962 0.9948 0.9545 0.9646 3.6224 3.2145 0.9727 1.0216</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="39">-0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -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="43">0.4001 0.3072 0.7184 0.6943 1.2206 0.2087 0.1608 0.3499 0.7955 0.4001 0.1345 0.5395 0.1361 1.0183 1.0020 1.0090 1.0244 1.0007 1.0102 0.9511 0.9585 0.9616 0.9611 0.9500 0.9610 0.9551 0.9484 0.9526 0.9493 0.9575 0.9600 0.9598 0.9500 0.9606 0.9489 0.9499 0.9563 2.2192 0.9672 0.9670 0.9331 0.9563 1.0727</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="43">0 1 0 2 0 3 0 4 0 29 0 30 0 35 0 37 0 38 1 35 2 36 2 37 3 4 3 17 3 21 3 25 4 5 4 9 4 13 5 6 5 7 5 8 9 10 9 11 9 12 13 14 13 15 13 16 17 18 17 19 17 20 21 22 21 23 21 24 25 26 25 27 25 28 29 30 31 36 32 36 33 35 34 35 35 36</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.048533699</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1209.458549985771</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">1.19256 -0.97836 0.21420 22.54116 -22.22201 0.31915 23.46231 -24.64755 -1.18525</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">1.24602</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">3.16712</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">403.25</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-1209.45854999</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.32013420</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.01989499</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">-1209.11568825</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.02272753</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.32013420</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.34286174</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1209.11568825</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1209.11474404</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03526548</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01564573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02084607</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07175728</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
