<?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="5">1 2 3 4 5</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="5">7s4p1d 7s4p1d 7s4p1d 7s6p5d1f 4s1p</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="5">3s2p1d 3s2p1d 3s2p1d 6s3p2d1f 2s1p</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">C N N C C B N N C C C Pt N N C C C H H H H H H H H H H H H C H H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="33">1 2 2 1 1 3 2 2 1 1 1 4 2 2 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 1 5 5 5</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">Pt</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">11</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Pt</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">Pt</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">11</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Pt</scalar>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                        </list>
                     </list>
                  </module>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="0.183361"
                        y3="2.955769"
                        z3="0.563558"/>
                  <atom elementType="N"
                        id="a2"
                        x3="0.218174"
                        y3="1.630492"
                        z3="0.415908"/>
                  <atom elementType="N"
                        id="a3"
                        x3="1.349789"
                        y3="1.174992"
                        z3="0.972836"/>
                  <atom elementType="C"
                        id="a4"
                        x3="2.039787"
                        y3="2.210301"
                        z3="1.481607"/>
                  <atom elementType="C"
                        id="a5"
                        x3="1.329313"
                        y3="3.378508"
                        z3="1.243792"/>
                  <atom elementType="B"
                        id="a6"
                        x3="1.795035"
                        y3="-0.309927"
                        z3="0.908404"/>
                  <atom elementType="N"
                        id="a7"
                        x3="0.662996"
                        y3="-1.183905"
                        z3="1.497091"/>
                  <atom elementType="N"
                        id="a8"
                        x3="-0.595458"
                        y3="-1.111003"
                        z3="1.051365"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-1.313524"
                        y3="-2.008921"
                        z3="1.725963"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-0.495983"
                        y3="-2.688068"
                        z3="2.638539"/>
                  <atom elementType="C"
                        id="a11"
                        x3="0.757179"
                        y3="-2.122378"
                        z3="2.456362"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="-1.154581"
                        y3="0.392602"
                        z3="-0.402838"/>
                  <atom elementType="N"
                        id="a13"
                        x3="2.084713"
                        y3="-0.701283"
                        z3="-0.543018"/>
                  <atom elementType="N"
                        id="a14"
                        x3="1.155299"
                        y3="-0.524178"
                        z3="-1.485458"/>
                  <atom elementType="C"
                        id="a15"
                        x3="1.677986"
                        y3="-0.94895"
                        z3="-2.625366"/>
                  <atom elementType="C"
                        id="a16"
                        x3="2.989275"
                        y3="-1.422727"
                        z3="-2.425936"/>
                  <atom elementType="C"
                        id="a17"
                        x3="3.206929"
                        y3="-1.24131"
                        z3="-1.071464"/>
                  <atom elementType="H"
                        id="a18"
                        x3="1.093007"
                        y3="-0.89106"
                        z3="-3.543637"/>
                  <atom elementType="H"
                        id="a19"
                        x3="4.073635"
                        y3="-1.453633"
                        z3="-0.448412"/>
                  <atom elementType="H"
                        id="a20"
                        x3="3.674752"
                        y3="-1.832111"
                        z3="-3.164016"/>
                  <atom elementType="H"
                        id="a21"
                        x3="2.79103"
                        y3="-0.449744"
                        z3="1.589253"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.70878"
                        y3="-2.319228"
                        z3="2.944536"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.992967"
                        y3="2.04248"
                        z3="1.976302"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-0.77893"
                        y3="-3.469745"
                        z3="3.338367"/>
                  <atom elementType="H"
                        id="a25"
                        x3="1.599673"
                        y3="4.391995"
                        z3="1.524537"/>
                  <atom elementType="H"
                        id="a26"
                        x3="-2.379903"
                        y3="-2.119066"
                        z3="1.537213"/>
                  <atom elementType="H"
                        id="a27"
                        x3="-0.661011"
                        y3="3.521022"
                        z3="0.178523"/>
                  <atom elementType="H"
                        id="a28"
                        x3="-1.813714"
                        y3="-1.065255"
                        z3="-2.17568"/>
                  <atom elementType="H"
                        id="a29"
                        x3="-1.541446"
                        y3="1.506175"
                        z3="-1.42071"/>
                  <atom elementType="C"
                        id="a30"
                        x3="-2.613962"
                        y3="-1.001239"
                        z3="-1.424158"/>
                  <atom elementType="H"
                        id="a31"
                        x3="-2.718559"
                        y3="-1.957989"
                        z3="-0.901511"/>
                  <atom elementType="H"
                        id="a32"
                        x3="-2.740848"
                        y3="-0.138154"
                        z3="-0.578113"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-3.541119"
                        y3="-0.73209"
                        z3="-1.946237"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a27" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a23" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a25" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a12 a30" order="S"/>
                  <bond atomRefs2="a12 a32" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
               </bondArray>
               <formula concise="C10H15BN6Pt">
                  <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">410.0362</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:5,10,16,1,9,15,4,11,17,6,2,8,14,3,7,13;30;12;29/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16);;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11-1,12-1,13.2;;;/rA:33nC3NNC3C3B4NNC3C3C3PtNN2C3C3C3HHHHHHHHHHHHC5HH2H/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;s7s10;s2s8;s6;s13;s14;s15;s13s16;s15;s17;s16;s6;s11;s4;s10;s5;s9;s1;;s12;s12s28;s30;s12s30;s30;/rC:.1834,2.9558,.5636;.2182,1.6305,.4159;1.3498,1.175,.9728;2.0398,2.2103,1.4816;1.3293,3.3785,1.2438;1.795,-.3099,.9084;.663,-1.1839,1.4971;-.5955,-1.111,1.0514;-1.3135,-2.0089,1.726;-.496,-2.6881,2.6385;.7572,-2.1224,2.4564;-1.1546,.3926,-.4028;2.0847,-.7013,-.543;1.1553,-.5242,-1.4855;1.678,-.9489,-2.6254;2.9893,-1.4227,-2.4259;3.2069,-1.2413,-1.0715;1.093,-.8911,-3.5436;4.0736,-1.4536,-.4484;3.6748,-1.8321,-3.164;2.791,-.4497,1.5893;1.7088,-2.3192,2.9445;2.993,2.0425,1.9763;-.7789,-3.4697,3.3384;1.5997,4.392,1.5245;-2.3799,-2.1191,1.5372;-.661,3.521,.1785;-1.8137,-1.0653,-2.1757;-1.5414,1.5062,-1.4207;-2.614,-1.0012,-1.4242;-2.7186,-1.958,-.9015;-2.7408,-.1382,-.5781;-3.5411,-.7321,-1.9462;/R:/0/N:16,5,10,15,17,4,11,1,9,30,6,14,13,3,7,2,8,12,32/E:(2,3)(6,7)(8,9)(14,15)(16,17)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.5,11.4,12.2,18.5,19.2</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">1087</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-25-minim_PROD_pbe0</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">140</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">345</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1550.7189716825 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">1.036e-03</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.026 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">0.013 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.040 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">1087</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-25-minim_PROD_pbe0</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">140</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">345</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1541.9791677009 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">1.099e-03</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.022 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">0.012 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.036 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="10">PBE0 D3BJ def2-SVP def2/J RIJCOSX TightSCF defgrid3 TightOPT 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">maxiter 600</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="C"
                              id="a1"
                              x3="0.148066"
                              y3="2.9589"
                              z3="0.577052"/>
                        <atom elementType="N"
                              id="a2"
                              x3="0.175138"
                              y3="1.633787"
                              z3="0.419059"/>
                        <atom elementType="N"
                              id="a3"
                              x3="1.3423"
                              y3="1.178219"
                              z3="0.904915"/>
                        <atom elementType="C"
                              id="a4"
                              x3="2.051651"
                              y3="2.21307"
                              z3="1.387329"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.331269"
                              y3="3.381188"
                              z3="1.189061"/>
                        <atom elementType="B"
                              id="a6"
                              x3="1.800333"
                              y3="-0.305696"
                              z3="0.842253"/>
                        <atom elementType="N"
                              id="a7"
                              x3="0.650874"
                              y3="-1.182163"
                              z3="1.390378"/>
                        <atom elementType="N"
                              id="a8"
                              x3="-0.595363"
                              y3="-1.097379"
                              z3="0.913504"/>
                        <atom elementType="C"
                              id="a9"
                              x3="-1.33791"
                              y3="-1.9894"
                              z3="1.568867"/>
                        <atom elementType="C"
                              id="a10"
                              x3="-0.547412"
                              y3="-2.682566"
                              z3="2.494685"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.714236"
                              y3="-2.12582"
                              z3="2.346689"/>
                        <atom elementType="Pt"
                              id="a12"
                              x3="-1.279522"
                              y3="0.407163"
                              z3="-0.285393"/>
                        <atom elementType="N"
                              id="a13"
                              x3="2.190197"
                              y3="-0.715133"
                              z3="-0.583302"/>
                        <atom elementType="N"
                              id="a14"
                              x3="1.337729"
                              y3="-0.581341"
                              z3="-1.602985"/>
                        <atom elementType="C"
                              id="a15"
                              x3="1.963034"
                              y3="-1.02341"
                              z3="-2.685229"/>
                        <atom elementType="C"
                              id="a16"
                              x3="3.263482"
                              y3="-1.462136"
                              z3="-2.367823"/>
                        <atom elementType="C"
                              id="a17"
                              x3="3.36269"
                              y3="-1.243709"
                              z3="-1.005679"/>
                        <atom elementType="H"
                              id="a18"
                              x3="1.457045"
                              y3="-1.002728"
                              z3="-3.650594"/>
                        <atom elementType="H"
                              id="a19"
                              x3="4.179026"
                              y3="-1.421827"
                              z3="-0.308653"/>
                        <atom elementType="H"
                              id="a20"
                              x3="4.017351"
                              y3="-1.873202"
                              z3="-3.034825"/>
                        <atom elementType="H"
                              id="a21"
                              x3="2.766947"
                              y3="-0.434247"
                              z3="1.565805"/>
                        <atom elementType="H"
                              id="a22"
                              x3="1.652153"
                              y3="-2.33281"
                              z3="2.856522"/>
                        <atom elementType="H"
                              id="a23"
                              x3="3.02876"
                              y3="2.044377"
                              z3="1.833172"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-0.853516"
                              y3="-3.46557"
                              z3="3.182976"/>
                        <atom elementType="H"
                              id="a25"
                              x3="1.614889"
                              y3="4.393784"
                              z3="1.461586"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-2.40145"
                              y3="-2.085536"
                              z3="1.357743"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.721877"
                              y3="3.524491"
                              z3="0.253913"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-2.084925"
                              y3="-1.005473"
                              z3="-2.02051"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-1.782122"
                              y3="1.575568"
                              z3="-1.185461"/>
                        <atom elementType="C"
                              id="a30"
                              x3="-2.830434"
                              y3="-0.975826"
                              z3="-1.214285"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-2.888766"
                              y3="-1.950097"
                              z3="-0.716655"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-2.892881"
                              y3="-0.138195"
                              z3="-0.335342"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-3.796347"
                              y3="-0.703908"
                              z3="-1.661171"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a20" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:5,10,16,1,9,15,4,11,17,6,2,8,14,3,7,13;30;12;29/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16);;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11-1,12-1,13.2;;;/rA:33nC3NNC3C3B4NNC3C3C3PtNN2C3C3C3HHHHHHHHHHHHC5HH2H/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;s7s10;s2s8;s6;s13;s14;s15;s13s16;s15;s17;s16;s6;s11;s4;s10;s5;s9;s1;;s12;s12s28;s30;s12s30;s30;/rC:.1481,2.9589,.5771;.1751,1.6338,.4191;1.3423,1.1782,.9049;2.0517,2.2131,1.3873;1.3313,3.3812,1.1891;1.8003,-.3057,.8423;.6509,-1.1822,1.3904;-.5954,-1.0974,.9135;-1.3379,-1.9894,1.5689;-.5474,-2.6826,2.4947;.7142,-2.1258,2.3467;-1.2795,.4072,-.2854;2.1902,-.7151,-.5833;1.3377,-.5813,-1.603;1.963,-1.0234,-2.6852;3.2635,-1.4621,-2.3678;3.3627,-1.2437,-1.0057;1.457,-1.0027,-3.6506;4.179,-1.4218,-.3087;4.0174,-1.8732,-3.0348;2.7669,-.4342,1.5658;1.6522,-2.3328,2.8565;3.0288,2.0444,1.8332;-.8535,-3.4656,3.183;1.6149,4.3938,1.4616;-2.4015,-2.0855,1.3577;-.7219,3.5245,.2539;-2.0849,-1.0055,-2.0205;-1.7821,1.5756,-1.1855;-2.8304,-.9758,-1.2143;-2.8888,-1.9501,-.7167;-2.8929,-.1382,-.3353;-3.7963,-.7039,-1.6612;/R:/0/N:16,5,10,15,17,4,11,1,9,30,6,14,13,3,7,2,8,12,32/E:(2,3)(6,7)(8,9)(14,15)(16,17)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.5,11.4,12.2,18.5,19.2</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              id="a1"
                              x3="0.055293"
                              y3="2.962202"
                              z3="0.617183"/>
                        <atom elementType="N"
                              id="a2"
                              x3="0.057129"
                              y3="1.643369"
                              z3="0.396368"/>
                        <atom elementType="N"
                              id="a3"
                              x3="1.251138"
                              y3="1.155944"
                              z3="0.811381"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.981542"
                              y3="2.172788"
                              z3="1.302189"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.267716"
                              y3="3.351152"
                              z3="1.185573"/>
                        <atom elementType="B"
                              id="a6"
                              x3="1.77416"
                              y3="-0.316967"
                              z3="0.737371"/>
                        <atom elementType="N"
                              id="a7"
                              x3="0.694746"
                              y3="-1.239433"
                              z3="1.351916"/>
                        <atom elementType="N"
                              id="a8"
                              x3="-0.575334"
                              y3="-1.247069"
                              z3="0.936855"/>
                        <atom elementType="C"
                              id="a9"
                              x3="-1.233547"
                              y3="-2.147713"
                              z3="1.666553"/>
                        <atom elementType="C"
                              id="a10"
                              x3="-0.358485"
                              y3="-2.76221"
                              z3="2.570069"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.858648"
                              y3="-2.140587"
                              z3="2.336546"/>
                        <atom elementType="Pt"
                              id="a12"
                              x3="-1.510925"
                              y3="0.535913"
                              z3="-0.28811"/>
                        <atom elementType="N"
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                              x3="2.252524"
                              y3="-0.777986"
                              z3="-0.651195"/>
                        <atom elementType="N"
                              id="a14"
                              x3="1.485149"
                              y3="-0.788144"
                              z3="-1.745942"/>
                        <atom elementType="C"
                              id="a15"
                              x3="2.242885"
                              y3="-1.257585"
                              z3="-2.733501"/>
                        <atom elementType="C"
                              id="a16"
                              x3="3.540998"
                              y3="-1.56292"
                              z3="-2.27673"/>
                        <atom elementType="C"
                              id="a17"
                              x3="3.495633"
                              y3="-1.2395"
                              z3="-0.93471"/>
                        <atom elementType="H"
                              id="a18"
                              x3="1.832609"
                              y3="-1.352733"
                              z3="-3.738471"/>
                        <atom elementType="H"
                              id="a19"
                              x3="4.257017"
                              y3="-1.299128"
                              z3="-0.160405"/>
                        <atom elementType="H"
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                              x3="4.384242"
                              y3="-1.956432"
                              z3="-2.839008"/>
                        <atom elementType="H"
                              id="a21"
                              x3="2.751513"
                              y3="-0.367894"
                              z3="1.455064"/>
                        <atom elementType="H"
                              id="a22"
                              x3="1.831517"
                              y3="-2.274878"
                              z3="2.802963"/>
                        <atom elementType="H"
                              id="a23"
                              x3="2.976151"
                              y3="1.980926"
                              z3="1.698764"/>
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                              id="a24"
                              x3="-0.583247"
                              y3="-3.533805"
                              z3="3.300754"/>
                        <atom elementType="H"
                              id="a25"
                              x3="1.573918"
                              y3="4.349802"
                              z3="1.488027"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-2.300576"
                              y3="-2.304821"
                              z3="1.520688"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.823579"
                              y3="3.550424"
                              z3="0.364881"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-2.416994"
                              y3="-0.659344"
                              z3="-2.084822"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-2.017867"
                              y3="1.832185"
                              z3="-1.000004"/>
                        <atom elementType="C"
                              id="a30"
                              x3="-3.162938"
                              y3="-0.710612"
                              z3="-1.283938"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-3.238996"
                              y3="-1.734202"
                              z3="-0.89872"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.179861"
                              y3="0.031885"
                              z3="-0.321271"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-4.127537"
                              y3="-0.380254"
                              z3="-1.698711"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a16 a20" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-1;;+1;/rC10H15BN6Pt/c1-4-12-14(6-1)11(15-7-2-5-13-15)16-8-3-9-17(16)18-10-19-18/h1-9,11,18H,10H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:5,10,16,1,9,15,4,11,17,6,2,8,14,3,7,13;30;12;29/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16);;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11-1,12.2,13.2;;;/rA:33nC3NNC3C3B4NN2C3C3C3PtNN2C3C3C3HHHHHHHHHHHHC5HH2H/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;s7s10;s2;s6;s13;s14;s15;s13s16;s15;s17;s16;s6;s11;s4;s10;s5;s9;s1;;s12;s12s28;s30;s12s30;s30;/rC:.0553,2.9622,.6172;.0571,1.6434,.3964;1.2511,1.1559,.8114;1.9815,2.1728,1.3022;1.2677,3.3512,1.1856;1.7742,-.317,.7374;.6947,-1.2394,1.3519;-.5753,-1.2471,.9369;-1.2335,-2.1477,1.6666;-.3585,-2.7622,2.5701;.8586,-2.1406,2.3365;-1.5109,.5359,-.2881;2.2525,-.778,-.6512;1.4851,-.7881,-1.7459;2.2429,-1.2576,-2.7335;3.541,-1.5629,-2.2767;3.4956,-1.2395,-.9347;1.8326,-1.3527,-3.7385;4.257,-1.2991,-.1604;4.3842,-1.9564,-2.839;2.7515,-.3679,1.4551;1.8315,-2.2749,2.803;2.9762,1.9809,1.6988;-.5832,-3.5338,3.3008;1.5739,4.3498,1.488;-2.3006,-2.3048,1.5207;-.8236,3.5504,.3649;-2.417,-.6593,-2.0848;-2.0179,1.8322,-1;-3.1629,-.7106,-1.2839;-3.239,-1.7342,-.8987;-3.1799,.0319,-.3213;-4.1275,-.3803,-1.6987;/R:/0/N:10,16,5,9,15,11,17,4,1,30,6,8,14,7,13,3,2,12,32/E:(1,2)(4,5)(6,7)(12,13)(14,15)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.5,11.4,12.2,13.2,19.2</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="0.098872"
                              y3="2.965888"
                              z3="0.629151"/>
                        <atom elementType="N"
                              id="a2"
                              x3="0.130348"
                              y3="1.64684"
                              z3="0.421959"/>
                        <atom elementType="N"
                              id="a3"
                              x3="1.29056"
                              y3="1.172554"
                              z3="0.893227"/>
                        <atom elementType="C"
                              id="a4"
                              x3="2.01327"
                              y3="2.192692"
                              z3="1.38407"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.288528"
                              y3="3.367083"
                              z3="1.241737"/>
                        <atom elementType="B"
                              id="a6"
                              x3="1.740038"
                              y3="-0.31178"
                              z3="0.812431"/>
                        <atom elementType="N"
                              id="a7"
                              x3="0.63322"
                              y3="-1.195461"
                              z3="1.441869"/>
                        <atom elementType="N"
                              id="a8"
                              x3="-0.660489"
                              y3="-1.116831"
                              z3="1.105482"/>
                        <atom elementType="C"
                              id="a9"
                              x3="-1.319787"
                              y3="-2.020913"
                              z3="1.832312"/>
                        <atom elementType="C"
                              id="a10"
                              x3="-0.429552"
                              y3="-2.71573"
                              z3="2.658686"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.802418"
                              y3="-2.145487"
                              z3="2.379377"/>
                        <atom elementType="Pt"
                              id="a12"
                              x3="-1.266018"
                              y3="0.46859"
                              z3="-0.337756"/>
                        <atom elementType="N"
                              id="a13"
                              x3="2.095343"
                              y3="-0.731055"
                              z3="-0.612493"/>
                        <atom elementType="N"
                              id="a14"
                              x3="1.223905"
                              y3="-0.63704"
                              z3="-1.622448"/>
                        <atom elementType="C"
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                              x3="1.852301"
                              y3="-1.09184"
                              z3="-2.698047"/>
                        <atom elementType="C"
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                              y3="-1.495118"
                              z3="-2.386851"/>
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                              y3="-1.243171"
                              z3="-1.032871"/>
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                              y3="-1.108933"
                              z3="-3.660036"/>
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                              id="a19"
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                              y3="-1.386966"
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                              id="a20"
                              x3="3.925306"
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                              id="a21"
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                              y3="-0.430048"
                              z3="1.499316"/>
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                              id="a22"
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                              y3="-2.350215"
                              z3="2.781273"/>
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                              id="a23"
                              x3="2.996517"
                              y3="2.007768"
                              z3="1.80946"/>
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                              id="a24"
                              x3="-0.652264"
                              y3="-3.507589"
                              z3="3.368532"/>
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                              id="a25"
                              x3="1.577721"
                              y3="4.369951"
                              z3="1.542949"/>
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                              id="a26"
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                              y3="-2.121018"
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                              id="a28"
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                              y3="-0.777099"
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                              id="a29"
                              x3="-1.827584"
                              y3="1.693711"
                              z3="-1.109124"/>
                        <atom elementType="C"
                              id="a30"
                              x3="-2.680196"
                              y3="-0.894515"
                              z3="-1.445575"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-2.699322"
                              y3="-1.918944"
                              z3="-1.058283"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-2.851273"
                              y3="-0.165012"
                              z3="-0.504564"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-3.625759"
                              y3="-0.646364"
                              z3="-1.9467"/>
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                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a20" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                  </molecule>
               </module>
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                              z3="0.936148"/>
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                              x3="2.061615"
                              y3="2.213759"
                              z3="1.401665"/>
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                              x3="1.367366"
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                              y3="-0.162384"
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                              x3="-3.529597"
                              y3="-0.818188"
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                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
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                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
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                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
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                        <bond atomRefs2="a16 a20" order="S"/>
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                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
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                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              y3="2.208732"
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                              x3="1.326982"
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                              id="a31"
                              x3="-2.858854"
                              y3="-1.989227"
                              z3="-0.992076"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-2.94165"
                              y3="-0.227366"
                              z3="-0.486531"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-3.712412"
                              y3="-0.704243"
                              z3="-1.938074"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a20" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:5,10,16,1,9,15,4,11,17,6,2,8,14,3,7,13;30;12;29/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16);;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11-1,12-1,13.2;;;/rA:33nC3NNC3C3B4NNC3C3C3PtNN2C3C3C3HHHHHHHHHHHHC5HH2H/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;s7s10;s2s8;s6;s13;s14;s15;s13s16;s15;s17;s16;s6;s11;s4;s10;s5;s9;s1;;s12;s12s28;s30;s12s30;s30;/rC:.1358,2.9643,.616;.1537,1.6365,.4598;1.327,1.1773,.9274;2.0486,2.2087,1.3966;1.327,3.3794,1.2161;1.7927,-.301,.8577;.6786,-1.1822,1.443;-.5972,-1.0208,1.093;-1.3116,-1.9293,1.7573;-.467,-2.7088,2.5595;.7972,-2.1858,2.3291;-1.3165,.4197,-.2784;2.1389,-.7102,-.5684;1.2431,-.6364,-1.5597;1.8569,-1.0765,-2.649;3.1864,-1.4528,-2.3665;3.3207,-1.199,-1.0137;1.3254,-1.1061,-3.6006;4.165,-1.3258,-.3396;3.9369,-1.847,-3.0473;2.7822,-.4137,1.5553;1.7706,-2.4583,2.7299;3.036,2.0356,1.8169;-.7392,-3.5264,3.2212;1.6214,4.3907,1.4811;-2.394,-1.971,1.6475;-.7307,3.5367,.2968;-1.9526,-.9039,-2.1102;-1.7945,1.6157,-1.1631;-2.793,-.9765,-1.4032;-2.8589,-1.9892,-.9921;-2.9417,-.2274,-.4865;-3.7124,-.7042,-1.9381;/R:/0/N:16,5,10,15,17,4,11,1,9,30,6,14,13,3,7,2,8,12,32/E:(2,3)(6,7)(8,9)(14,15)(16,17)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.5,11.4,12.2,18.5,19.2</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="0.087668"
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                              y3="1.655862"
                              z3="0.452437"/>
                        <atom elementType="N"
                              id="a3"
                              x3="1.271175"
                              y3="1.170831"
                              z3="0.914342"/>
                        <atom elementType="C"
                              id="a4"
                              x3="2.003942"
                              y3="2.188504"
                              z3="1.397315"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.285916"
                              y3="3.366677"
                              z3="1.263157"/>
                        <atom elementType="B"
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                              x3="1.741286"
                              y3="-0.309931"
                              z3="0.814407"/>
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                              y3="-1.089682"
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                              y3="-2.00423"
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                              x3="-0.423137"
                              y3="-2.731974"
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                        <atom elementType="C"
                              id="a11"
                              x3="0.813379"
                              y3="-2.17417"
                              z3="2.355605"/>
                        <atom elementType="Pt"
                              id="a12"
                              x3="-1.304555"
                              y3="0.50994"
                              z3="-0.331395"/>
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                              z3="-2.401128"/>
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                              x3="3.282447"
                              y3="-1.196101"
                              z3="-1.051394"/>
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                              id="a18"
                              x3="1.317694"
                              y3="-1.185827"
                              z3="-3.658482"/>
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                              id="a19"
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                              y3="-0.418391"
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                              id="a22"
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                              id="a23"
                              x3="2.993736"
                              y3="1.998663"
                              z3="1.805467"/>
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                              id="a25"
                              x3="1.587718"
                              y3="4.368342"
                              z3="1.557588"/>
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                              id="a26"
                              x3="-2.402786"
                              y3="-2.086505"
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                              x3="-0.777915"
                              y3="3.561246"
                              z3="0.365329"/>
                        <atom elementType="H"
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                              x3="-1.784925"
                              y3="-0.933298"
                              z3="-2.02149"/>
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                              x3="-1.684613"
                              y3="1.684541"
                              z3="-1.279291"/>
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                              x3="-2.700339"
                              y3="-0.909458"
                              z3="-1.415688"/>
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                              id="a31"
                              x3="-2.850887"
                              y3="-1.871376"
                              z3="-0.913579"/>
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                              id="a32"
                              x3="-2.90881"
                              y3="-0.069261"
                              z3="-0.60601"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-3.544127"
                              y3="-0.669694"
                              z3="-2.07763"/>
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                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a20" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              z3="0.44405"/>
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                              y3="1.195558"
                              z3="0.904684"/>
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                              x3="2.048138"
                              y3="2.214729"
                              z3="1.360779"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.349947"
                              y3="3.400384"
                              z3="1.182515"/>
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                              x3="1.739152"
                              y3="-0.296636"
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                              x3="0.62073"
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                        <bond atomRefs2="a2 a12" order="S"/>
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                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a20" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:5,10,16,1,9,15,4,11,17,6,2,8,14,3,7,13;30;12;29/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16);;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11-1,12-1,13.2;;;/rA:33nC3NNC3C3B4NNC3C3C3PtNN2C3C3C3HHHHHHHHHHHHC5HH2H/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;s7s10;s2s8;s6;s13;s14;s15;s13s16;s15;s17;s16;s6;s11;s4;s10;s5;s9;s1;;s12;s12s28;s30;s12s30;s30;/rC:.1428,3.0071,.6004;.1398,1.6805,.4441;1.3005,1.1956,.9047;2.0481,2.2147,1.3608;1.3499,3.4004,1.1825;1.7392,-.2966,.8382;.6207,-1.1971,1.4166;-.6545,-1.1271,1.0198;-1.339,-2.0506,1.6963;-.479,-2.756,2.5463;.7616,-2.175,2.3294;-1.2885,.4949,-.2486;2.1081,-.7132,-.5826;1.2236,-.6753,-1.5857;1.8627,-1.1143,-2.6612;3.1978,-1.4521,-2.3577;3.3073,-1.1782,-1.0071;1.3451,-1.1707,-3.6191;4.1458,-1.2747,-.3206;3.9671,-1.8356,-3.0234;2.7208,-.41,1.5458;1.736,-2.3861,2.7632;3.0352,2.0224,1.7735;-.7255,-3.5668,3.2262;1.6674,4.4061,1.4426;-2.4129,-2.1578,1.554;-.7184,3.5937,.2919;-1.8686,-.8887,-1.9974;-1.8198,1.6766,-1.1179;-2.7347,-.9441,-1.3202;-2.806,-1.942,-.8744;-2.9012,-.1712,-.4383;-3.6367,-.6965,-1.8945;/R:/0/N:16,5,10,15,17,4,11,1,9,30,6,14,13,3,7,2,8,12,32/E:(2,3)(6,7)(8,9)(14,15)(16,17)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.5,11.4,12.2,18.5,19.2</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="0.165401"
                              y3="2.995482"
                              z3="0.625206"/>
                        <atom elementType="N"
                              id="a2"
                              x3="0.16775"
                              y3="1.668132"
                              z3="0.471672"/>
                        <atom elementType="N"
                              id="a3"
                              x3="1.324693"
                              y3="1.19119"
                              z3="0.949437"/>
                        <atom elementType="C"
                              id="a4"
                              x3="2.065593"
                              y3="2.211578"
                              z3="1.412277"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.360373"
                              y3="3.392981"
                              z3="1.231144"/>
                        <atom elementType="B"
                              id="a6"
                              x3="1.757804"
                              y3="-0.296088"
                              z3="0.870771"/>
                        <atom elementType="N"
                              id="a7"
                              x3="0.632173"
                              y3="-1.17246"
                              z3="1.451208"/>
                        <atom elementType="N"
                              id="a8"
                              x3="-0.645694"
                              y3="-1.012618"
                              z3="1.102547"/>
                        <atom elementType="C"
                              id="a9"
                              x3="-1.356325"
                              y3="-1.934252"
                              z3="1.753535"/>
                        <atom elementType="C"
                              id="a10"
                              x3="-0.5093"
                              y3="-2.722188"
                              z3="2.543797"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.751788"
                              y3="-2.189196"
                              z3="2.322867"/>
                        <atom elementType="Pt"
                              id="a12"
                              x3="-1.256808"
                              y3="0.454914"
                              z3="-0.290634"/>
                        <atom elementType="N"
                              id="a13"
                              x3="2.0709"
                              y3="-0.690623"
                              z3="-0.56506"/>
                        <atom elementType="N"
                              id="a14"
                              x3="1.14109"
                              y3="-0.624553"
                              z3="-1.5252"/>
                        <atom elementType="C"
                              id="a15"
                              x3="1.727433"
                              y3="-1.045931"
                              z3="-2.635624"/>
                        <atom elementType="C"
                              id="a16"
                              x3="3.072353"
                              y3="-1.400375"
                              z3="-2.399517"/>
                        <atom elementType="C"
                              id="a17"
                              x3="3.247058"
                              y3="-1.153671"
                              z3="-1.050468"/>
                        <atom elementType="H"
                              id="a18"
                              x3="1.166255"
                              y3="-1.079541"
                              z3="-3.569795"/>
                        <atom elementType="H"
                              id="a19"
                              x3="4.115027"
                              y3="-1.269516"
                              z3="-0.404476"/>
                        <atom elementType="H"
                              id="a20"
                              x3="3.806714"
                              y3="-1.776892"
                              z3="-3.10734"/>
                        <atom elementType="H"
                              id="a21"
                              x3="2.75054"
                              y3="-0.43153"
                              z3="1.558985"/>
                        <atom elementType="H"
                              id="a22"
                              x3="1.725995"
                              y3="-2.464492"
                              z3="2.719963"/>
                        <atom elementType="H"
                              id="a23"
                              x3="3.049372"
                              y3="2.023358"
                              z3="1.834268"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-0.777899"
                              y3="-3.551634"
                              z3="3.192229"/>
                        <atom elementType="H"
                              id="a25"
                              x3="1.669002"
                              y3="4.399826"
                              z3="1.496073"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-2.437887"
                              y3="-1.980592"
                              z3="1.639906"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.690122"
                              y3="3.579279"
                              z3="0.297251"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-1.67968"
                              y3="-1.116086"
                              z3="-1.91321"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-1.64405"
                              y3="1.595321"
                              z3="-1.281136"/>
                        <atom elementType="C"
                              id="a30"
                              x3="-2.630226"
                              y3="-1.059199"
                              z3="-1.357902"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-2.806282"
                              y3="-1.991874"
                              z3="-0.81202"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-2.862589"
                              y3="-0.184747"
                              z3="-0.600453"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-3.435809"
                              y3="-0.851629"
                              z3="-2.072697"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a20" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:5,10,16,1,9,15,4,11,17,6,2,8,14,3,7,13;30;12;29/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16);;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11-1,12-1,13.2;;;/rA:33nC3NNC3C3B4NNC3C3C3PtNN2C3C3C3HHHHHHHHHHHHC5HH2H/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;s7s10;s2s8;s6;s13;s14;s15;s13s16;s15;s17;s16;s6;s11;s4;s10;s5;s9;s1;;s12;s12s28;s30;s12s30;s30;/rC:.1654,2.9955,.6252;.1678,1.6681,.4717;1.3247,1.1912,.9494;2.0656,2.2116,1.4123;1.3604,3.393,1.2311;1.7578,-.2961,.8708;.6322,-1.1725,1.4512;-.6457,-1.0126,1.1025;-1.3563,-1.9343,1.7535;-.5093,-2.7222,2.5438;.7518,-2.1892,2.3229;-1.2568,.4549,-.2906;2.0709,-.6906,-.5651;1.1411,-.6246,-1.5252;1.7274,-1.0459,-2.6356;3.0724,-1.4004,-2.3995;3.2471,-1.1537,-1.0505;1.1663,-1.0795,-3.5698;4.115,-1.2695,-.4045;3.8067,-1.7769,-3.1073;2.7505,-.4315,1.559;1.726,-2.4645,2.72;3.0494,2.0234,1.8343;-.7779,-3.5516,3.1922;1.669,4.3998,1.4961;-2.4379,-1.9806,1.6399;-.6901,3.5793,.2973;-1.6797,-1.1161,-1.9132;-1.6441,1.5953,-1.2811;-2.6302,-1.0592,-1.3579;-2.8063,-1.9919,-.812;-2.8626,-.1847,-.6005;-3.4358,-.8516,-2.0727;/R:/0/N:16,5,10,15,17,4,11,1,9,30,6,14,13,3,7,2,8,12,32/E:(2,3)(6,7)(8,9)(14,15)(16,17)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.5,11.4,12.2,18.5,19.2</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="0.132293"
                              y3="2.988185"
                              z3="0.630824"/>
                        <atom elementType="N"
                              id="a2"
                              x3="0.133738"
                              y3="1.662284"
                              z3="0.465856"/>
                        <atom elementType="N"
                              id="a3"
                              x3="1.300498"
                              y3="1.181483"
                              z3="0.922731"/>
                        <atom elementType="C"
                              id="a4"
                              x3="2.045563"
                              y3="2.20234"
                              z3="1.379059"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.337737"
                              y3="3.383786"
                              z3="1.215159"/>
                        <atom elementType="B"
                              id="a6"
                              x3="1.751154"
                              y3="-0.304774"
                              z3="0.84366"/>
                        <atom elementType="N"
                              id="a7"
                              x3="0.635766"
                              y3="-1.190285"
                              z3="1.439747"/>
                        <atom elementType="N"
                              id="a8"
                              x3="-0.647579"
                              y3="-1.066462"
                              z3="1.090721"/>
                        <atom elementType="C"
                              id="a9"
                              x3="-1.338859"
                              y3="-1.986564"
                              z3="1.764277"/>
                        <atom elementType="C"
                              id="a10"
                              x3="-0.474888"
                              y3="-2.736972"
                              z3="2.571657"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.775487"
                              y3="-2.186429"
                              z3="2.332312"/>
                        <atom elementType="Pt"
                              id="a12"
                              x3="-1.297056"
                              y3="0.478354"
                              z3="-0.268163"/>
                        <atom elementType="N"
                              id="a13"
                              x3="2.096223"
                              y3="-0.717994"
                              z3="-0.585098"/>
                        <atom elementType="N"
                              id="a14"
                              x3="1.190202"
                              y3="-0.708744"
                              z3="-1.569628"/>
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                              id="a15"
                              x3="1.819142"
                              y3="-1.131969"
                              z3="-2.657575"/>
                        <atom elementType="C"
                              id="a16"
                              x3="3.169017"
                              y3="-1.43157"
                              z3="-2.381582"/>
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                              id="a17"
                              x3="3.299193"
                              y3="-1.148964"
                              z3="-1.034506"/>
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                              x3="1.283744"
                              y3="-1.20686"
                              z3="-3.604382"/>
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                              id="a19"
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                              y3="-1.218613"
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                              id="a20"
                              x3="3.93471"
                              y3="-1.796117"
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                              id="a21"
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                        <atom elementType="H"
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                              x3="1.755425"
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                        <atom elementType="H"
                              id="a23"
                              x3="3.035993"
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                              id="a25"
                              x3="1.650034"
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                              z3="1.481201"/>
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                              id="a26"
                              x3="-2.419596"
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                              z3="1.654015"/>
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                              id="a27"
                              x3="-0.730703"
                              y3="3.573184"
                              z3="0.324552"/>
                        <atom elementType="H"
                              id="a28"
                              x3="-1.796535"
                              y3="-0.950605"
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                        <atom elementType="H"
                              id="a29"
                              x3="-1.735124"
                              y3="1.644418"
                              z3="-1.206723"/>
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                              id="a30"
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                              y3="-0.958102"
                              z3="-1.369249"/>
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                              id="a31"
                              x3="-2.852196"
                              y3="-1.937347"
                              z3="-0.897769"/>
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                              id="a32"
                              x3="-2.912013"
                              y3="-0.157975"
                              z3="-0.526985"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-3.56199"
                              y3="-0.704056"
                              z3="-2.021728"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a16 a20" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="0.156059"
                              y3="3.01173"
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                              x3="0.143849"
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                        <atom elementType="N"
                              id="a3"
                              x3="1.30267"
                              y3="1.189565"
                              z3="0.916311"/>
                        <atom elementType="C"
                              id="a4"
                              x3="2.056172"
                              y3="2.199266"
                              z3="1.383791"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.364219"
                              y3="3.390147"
                              z3="1.220379"/>
                        <atom elementType="B"
                              id="a6"
                              x3="1.738624"
                              y3="-0.302495"
                              z3="0.831858"/>
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                              x3="-0.668207"
                              y3="-1.059659"
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                              x3="-1.368638"
                              y3="-1.980286"
                              z3="1.714869"/>
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                              id="a10"
                              x3="-0.513981"
                              y3="-2.736627"
                              z3="2.526231"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.740164"
                              y3="-2.18853"
                              z3="2.300654"/>
                        <atom elementType="Pt"
                              id="a12"
                              x3="-1.288705"
                              y3="0.521014"
                              z3="-0.293444"/>
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                              y3="-0.713805"
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                              x3="1.190607"
                              y3="-0.720627"
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                              x3="1.83099"
                              y3="-1.133841"
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                              x3="3.184872"
                              y3="-1.408905"
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                              id="a17"
                              x3="3.304232"
                              y3="-1.124981"
                              z3="-1.040979"/>
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                              id="a18"
                              x3="1.300886"
                              y3="-1.219168"
                              z3="-3.618712"/>
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                              x3="4.157901"
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                              z3="2.709083"/>
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                              id="a23"
                              x3="3.041715"
                              y3="1.996538"
                              z3="1.795329"/>
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                              id="a24"
                              x3="-0.772792"
                              y3="-3.557568"
                              z3="3.189149"/>
                        <atom elementType="H"
                              id="a25"
                              x3="1.687214"
                              y3="4.3909"
                              z3="1.493038"/>
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                              id="a26"
                              x3="-2.448328"
                              y3="-2.04771"
                              z3="1.592943"/>
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                              id="a27"
                              x3="-0.699298"
                              y3="3.608126"
                              z3="0.324658"/>
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                              id="a28"
                              x3="-1.744494"
                              y3="-1.106968"
                              z3="-1.831476"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-1.769948"
                              y3="1.729586"
                              z3="-1.161252"/>
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                              x3="-2.699053"
                              y3="-1.023074"
                              z3="-1.288828"/>
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                              x3="-2.888739"
                              y3="-1.937878"
                              z3="-0.716949"/>
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                              id="a32"
                              x3="-2.911417"
                              y3="-0.128057"
                              z3="-0.553073"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-3.496597"
                              y3="-0.827266"
                              z3="-2.016372"/>
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                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a16 a20" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              id="a1"
                              x3="0.151195"
                              y3="3.000114"
                              z3="0.636298"/>
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                              id="a2"
                              x3="0.145233"
                              y3="1.674121"
                              z3="0.475439"/>
                        <atom elementType="N"
                              id="a3"
                              x3="1.306775"
                              y3="1.185821"
                              z3="0.931217"/>
                        <atom elementType="C"
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                              x3="2.060331"
                              y3="2.201951"
                              z3="1.383971"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.361948"
                              y3="3.388865"
                              z3="1.214655"/>
                        <atom elementType="B"
                              id="a6"
                              x3="1.739236"
                              y3="-0.306907"
                              z3="0.850562"/>
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                              x3="0.615575"
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                        <atom elementType="C"
                              id="a11"
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                              z3="-0.263206"/>
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                              y3="-0.172574"
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                              y3="-0.734826"
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                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
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                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
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                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
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                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="1.300085"
                              y3="1.175423"
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                              id="a4"
                              x3="2.054998"
                              y3="2.193816"
                              z3="1.368815"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.352884"
                              y3="3.378797"
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                              x3="1.745868"
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                        <atom elementType="C"
                              id="a11"
                              x3="0.761627"
                              y3="-2.197007"
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                              x3="3.31187"
                              y3="-1.093503"
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                              y3="-1.296541"
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                              id="a25"
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                              x3="-2.432488"
                              y3="-2.041651"
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                              x3="-0.721269"
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                              x3="-1.735667"
                              y3="1.641269"
                              z3="-1.199675"/>
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                              x3="-2.719098"
                              y3="-0.9534"
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                              x3="-2.92159"
                              y3="-0.1576"
                              z3="-0.52363"/>
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                              x3="-3.52316"
                              y3="-0.68737"
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                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
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                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
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                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              y3="1.177116"
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                              y3="2.191766"
                              z3="1.377502"/>
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                              x3="1.365198"
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                              x3="1.740644"
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                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
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                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="1.306009"
                              y3="1.174054"
                              z3="0.930282"/>
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                              id="a4"
                              x3="2.069034"
                              y3="2.185861"
                              z3="1.376904"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.378077"
                              y3="3.377295"
                              z3="1.210456"/>
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                              x3="1.733892"
                              y3="-0.322073"
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                              y3="-1.974649"
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                        <atom elementType="C"
                              id="a11"
                              x3="0.740279"
                              y3="-2.20086"
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                              x3="3.29526"
                              y3="-1.035114"
                              z3="-1.067686"/>
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                              y3="-1.363334"
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                              y3="1.984138"
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                              y3="-3.56005"
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                              x3="1.70663"
                              y3="4.379631"
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                              x3="-2.455141"
                              y3="-2.033162"
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                              x3="-0.696119"
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                              x3="-1.709349"
                              y3="1.657678"
                              z3="-1.203453"/>
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                              y3="-0.980951"
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                              y3="-1.933503"
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                              y3="-0.161327"
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                              id="a33"
                              x3="-3.422028"
                              y3="-0.713777"
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                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
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                        <bond atomRefs2="a3 a6" order="S"/>
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                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
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                        <bond atomRefs2="a13 a17" order="S"/>
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                        <bond atomRefs2="a15 a18" order="S"/>
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                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="0.179127"
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                              z3="0.935219"/>
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                              x3="2.081165"
                              y3="2.171578"
                              z3="1.379823"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.398595"
                              y3="3.36792"
                              z3="1.212931"/>
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                              x3="1.727448"
                              y3="-0.336158"
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                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
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                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
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                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
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                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <atom elementType="C"
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                              x3="1.410485"
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                              y3="-2.214971"
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                              x3="-1.662407"
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                        <bond atomRefs2="a6 a21" order="S"/>
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                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
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                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              z3="0.940172"/>
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                              y3="2.155086"
                              z3="1.387676"/>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="0.19741"
                              y3="2.986698"
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                              y3="1.659959"
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                        <atom elementType="N"
                              id="a3"
                              x3="1.317047"
                              y3="1.150637"
                              z3="0.940649"/>
                        <atom elementType="C"
                              id="a4"
                              x3="2.087919"
                              y3="2.154428"
                              z3="1.391014"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.412245"
                              y3="3.353644"
                              z3="1.216032"/>
                        <atom elementType="B"
                              id="a6"
                              x3="1.726924"
                              y3="-0.353757"
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                              x3="-0.684777"
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                              x3="-1.397633"
                              y3="-1.9484"
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                              x3="-0.54883"
                              y3="-2.731127"
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                        <atom elementType="C"
                              id="a11"
                              x3="0.715369"
                              y3="-2.217344"
                              z3="2.347148"/>
                        <atom elementType="Pt"
                              id="a12"
                              x3="-1.257661"
                              y3="0.487643"
                              z3="-0.265844"/>
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                              y3="-1.026054"
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                              y3="-1.297782"
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                              y3="-1.229995"
                              z3="-2.445325"/>
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                              x3="3.279286"
                              y3="-0.892917"
                              z3="-1.113569"/>
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                              x3="1.164151"
                              y3="-1.538904"
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                              id="a23"
                              x3="3.070816"
                              y3="1.942471"
                              z3="1.804127"/>
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                              y3="-3.546277"
                              z3="3.260001"/>
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                              id="a25"
                              x3="1.749977"
                              y3="4.3527"
                              z3="1.4764"/>
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                              id="a26"
                              x3="-2.480499"
                              y3="-1.985852"
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                              x3="-0.650829"
                              y3="3.590983"
                              z3="0.322195"/>
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                              x3="-1.621734"
                              y3="-1.132935"
                              z3="-1.755422"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-1.652769"
                              y3="1.63408"
                              z3="-1.24747"/>
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                              x3="-2.652814"
                              y3="-0.985791"
                              z3="-1.387154"/>
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                              x3="-2.993973"
                              y3="-1.91355"
                              z3="-0.913151"/>
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                              id="a32"
                              x3="-2.884164"
                              y3="-0.171707"
                              z3="-0.583384"/>
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                              id="a33"
                              x3="-3.295662"
                              y3="-0.682272"
                              z3="-2.219919"/>
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                        <bond atomRefs2="a1 a27" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a12" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a25" order="S"/>
                        <bond atomRefs2="a6 a21" order="S"/>
                        <bond atomRefs2="a6 a13" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a10 a11" order="S"/>
                        <bond atomRefs2="a10 a24" order="S"/>
                        <bond atomRefs2="a11 a22" order="S"/>
                        <bond atomRefs2="a12 a30" order="S"/>
                        <bond atomRefs2="a12 a32" order="S"/>
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                        <bond atomRefs2="a13 a14" order="S"/>
                        <bond atomRefs2="a13 a17" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
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                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
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                        <bond atomRefs2="a30 a32" order="S"/>
                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                     </bondArray>
                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                        <atom elementType="N"
                              id="a3"
                              x3="1.317705"
                              y3="1.149488"
                              z3="0.939938"/>
                        <atom elementType="C"
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                              x3="2.08599"
                              y3="2.152791"
                              z3="1.395624"/>
                        <atom elementType="C"
                              id="a5"
                              x3="1.411045"
                              y3="3.35214"
                              z3="1.218541"/>
                        <atom elementType="B"
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                              x3="1.727029"
                              y3="-0.354909"
                              z3="0.86001"/>
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                        <atom elementType="Pt"
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                        <bond atomRefs2="a7 a11" order="S"/>
                        <bond atomRefs2="a7 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
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                        <bond atomRefs2="a10 a11" order="S"/>
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                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
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                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <atom elementType="C"
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                              x3="1.411144"
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                        <bond atomRefs2="a7 a11" order="S"/>
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                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a12" order="S"/>
                        <bond atomRefs2="a9 a26" order="S"/>
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                        <bond atomRefs2="a30 a33" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
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                     <formula concise="C10H15BN6Pt">
                        <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">410.0362</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:5,10,16,1,9,15,4,11,17,6,2,8,14,3,7,13;30;12;29/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16);;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11-1,12-1,13.2;;;/rA:33nC3NNC3C3B4NNC3C3C3PtNN2C3C3C3HHHHHHHHHHHHC5HH2H/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;s7s10;s2s8;s6;s13;s14;s15;s13s16;s15;s17;s16;s6;s11;s4;s10;s5;s9;s1;;s12;s12s28;s30;s12s30;s30;/rC:.1999,2.9858,.6291;.1689,1.6594,.4721;1.3181,1.1495,.9403;2.0859,2.1525,1.3976;1.4111,3.3519,1.2207;1.7273,-.355,.8597;.5971,-1.2089,1.4636;-.6855,-1.0436,1.1284;-1.3991,-1.945,1.8024;-.5508,-2.7279,2.5959;.714,-2.2167,2.3468;-1.2553,.4874,-.2694;2.0428,-.7791,-.5742;1.094,-1.0285,-1.4861;1.7303,-1.2983,-2.6178;3.128,-1.2265,-2.4482;3.2792,-.8897,-1.1162;1.1651,-1.5407,-3.518;4.1708,-.7267,-.5143;3.9094,-1.4028,-3.1833;2.726,-.4801,1.541;1.6894,-2.4971,2.7369;3.0667,1.94,1.8154;-.8203,-3.5417,3.2635;1.7474,4.3506,1.4845;-2.4822,-1.981,1.6987;-.6461,3.5907,.3139;-1.622,-1.1429,-1.7556;-1.6511,1.634,-1.2517;-2.6507,-.9881,-1.3853;-2.9974,-1.9124,-.9082;-2.8796,-.1741,-.5793;-3.2964,-.6828,-2.2153;/R:/0/N:16,5,10,15,17,4,11,1,9,30,6,14,13,3,7,2,8,12,32/E:(2,3)(6,7)(8,9)(14,15)(16,17)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.5,11.4,12.2,18.5,19.2</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.514978926611</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.511872625036</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.503739103766</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.513637602490</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.515295247126</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.514647072380</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.514777511450</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.517102875738</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.516802123742</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.517980539174</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.517331092834</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518097168157</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518112250800</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518374521696</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518479770544</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518620222445</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518683988121</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518702030279</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518713285318</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518718101874</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518719516897</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518720000713</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="33">C N N C C B N N C C C Pt N N C C C H H H H H H H H H H H H C H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="33">0.030063 0.055900 0.133010 0.025947 -0.104761 -0.276231 0.127873 0.006525 0.003010 -0.108320 0.019424 -0.281059 0.102261 -0.026007 -0.033000 -0.121782 -0.002340 0.022465 0.031083 0.030455 -0.040607 0.039135 0.041133 0.037094 0.039041 0.032522 0.046307 0.096180 -0.073324 -0.028033 0.052327 0.063392 0.060318</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">C N N C C B N N C C C Pt N N C C C H H H H H H H H H H H H C H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="33">5.8470 7.2537 7.0849 5.8733 6.1511 4.7795 7.0899 7.2778 5.8861 6.1518 5.8763 17.8062 7.1220 7.1668 5.9214 6.1615 5.8888 0.9775 0.9723 0.9779 1.1358 0.9573 0.9536 0.9665 0.9635 0.9630 0.9419 0.8473 1.0686 6.1912 0.9134 0.9224 0.9096</array>
                     <array dataType="xsd:double" dictRef="o:za" size="33">6.0000 7.0000 7.0000 6.0000 6.0000 5.0000 7.0000 7.0000 6.0000 6.0000 6.0000 18.0000 7.0000 7.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="33">0.1530 -0.2537 -0.0849 0.1267 -0.1511 0.2205 -0.0899 -0.2778 0.1139 -0.1518 0.1237 0.1938 -0.1220 -0.1668 0.0786 -0.1615 0.1112 0.0225 0.0277 0.0221 -0.1358 0.0427 0.0464 0.0335 0.0365 0.0370 0.0581 0.1527 -0.0686 -0.1912 0.0866 0.0776 0.0904</array>
                     <array dataType="xsd:double" dictRef="o:va" size="33">3.8243 3.3174 3.4572 3.8331 3.8534 3.6633 3.4653 3.1377 3.8489 3.8682 3.8318 2.9440 3.4493 3.0277 3.8589 3.8464 3.8118 0.9867 0.9972 0.9939 0.9658 0.9978 0.9977 0.9945 0.9947 0.9957 0.9920 0.9718 1.0274 3.9347 0.9830 1.0790 0.9696</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="33">3.8243 3.3174 3.4572 3.8331 3.8534 3.6633 3.4653 3.1377 3.8489 3.8682 3.8318 2.9440 3.4493 3.0277 3.8589 3.8464 3.8118 0.9867 0.9972 0.9939 0.9658 0.9978 0.9977 0.9945 0.9947 0.9957 0.9920 0.9718 1.0274 3.9347 0.9830 1.0790 0.9696</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="33">-0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -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="38">1.3862 1.3619 0.9868 1.1747 0.5397 1.3143 0.8352 1.4128 0.9869 0.9946 0.8412 0.8937 0.9145 1.1879 1.3089 1.4123 0.3143 1.3661 0.9823 1.4198 0.9933 0.9869 0.1741 0.9051 0.4057 0.4053 1.1777 1.2566 1.4864 1.3186 0.9897 1.4488 0.9908 0.9858 0.9070 0.9599 0.6428 0.9531</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="38">0 1 0 4 0 26 1 2 1 11 2 3 2 5 3 4 3 22 4 24 5 6 5 12 5 20 6 7 6 10 7 8 7 11 8 9 8 25 9 10 9 23 10 21 11 13 11 28 11 29 11 31 12 13 12 16 13 14 14 15 14 17 15 16 15 19 16 18 27 29 29 30 29 31 29 32</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="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">C N N C C B N N C C C Pt N N C C C H H H H H H H H H H H H C H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="33">0.153001 -0.253659 -0.084946 0.126683 -0.151138 0.220457 -0.089907 -0.277828 0.113867 -0.151818 0.123732 0.193816 -0.122009 -0.166784 0.078635 -0.161497 0.111214 0.022492 0.027749 0.022099 -0.135780 0.042690 0.046401 0.033473 0.036532 0.037015 0.058102 0.152668 -0.068584 -0.191235 0.086565 0.077557 0.090439</array>
                  </module>
               </module>
               <module cmlx:templateRef="orbitalenergies">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="345">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="345">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 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="345"
                            units="nonsi:electronvolt">-393.5215 -393.3891 -393.2557 -393.0016 -392.6066 -391.5537 -279.5669 -279.4701 -279.4268 -279.4201 -279.3585 -278.8930 -278.5286 -278.5255 -278.4790 -277.8875 -185.1317 -107.7278 -60.1376 -59.8703 -58.9759 -29.6866 -29.3609 -28.5684 -23.1637 -22.7524 -22.1817 -21.8871 -21.7024 -21.0674 -20.4524 -17.4980 -17.3203 -17.0356 -16.2981 -16.1935 -15.9619 -15.6027 -15.4000 -14.6464 -13.4615 -13.2154 -13.1004 -12.9446 -12.5435 -12.3837 -12.2805 -12.1436 -11.9795 -11.8555 -11.7048 -11.5570 -11.3319 -11.1306 -11.0238 -10.7901 -10.6322 -9.4605 -8.9160 -8.6983 -8.3654 -8.1107 -7.7927 -7.6856 -7.5004 -6.9249 -6.8224 -6.7512 -6.6475 -5.9259 -0.1889 -0.0428 0.3131 1.2140 1.2440 1.5654 1.6789 1.8491 2.2711 2.3560 2.6038 2.9181 3.0089 3.1156 3.2663 3.3150 3.5765 3.6002 3.8889 4.1985 4.4362 4.5433 4.6059 4.8190 5.0216 5.1864 5.6282 5.8079 6.2698 6.4345 6.6390 6.8417 7.1276 7.2554 7.5971 8.2170 8.6791 8.8756 9.2150 9.5495 9.8436 10.2063 10.4527 10.8355 10.9678 11.0730 11.2115 11.4039 11.5797 11.7958 12.0219 12.0808 12.4088 12.6454 12.8088 12.8506 13.0953 14.0475 14.1075 14.4478 14.5542 14.7274 14.8603 15.0669 15.3905 15.5357 15.6543 15.8731 16.1192 16.2923 16.5163 16.7238 17.0324 17.2957 17.4392 17.8168 17.9408 18.0235 18.3886 18.4470 18.7406 18.8804 19.0230 19.1364 19.2408 19.2863 19.5438 19.7246 19.9236 20.1556 20.2845 20.4649 20.6071 20.9263 21.2563 21.2924 21.5289 21.5928 22.1914 22.4019 22.6288 23.3978 23.9366 24.4269 24.7529 25.0171 25.6544 25.9892 26.2077 26.9079 27.0321 27.4724 27.7160 27.9749 27.9965 28.6488 28.9254 29.4362 29.9328 30.5391 30.8091 31.1332 31.3039 31.6915 32.0222 32.4568 33.0029 33.1274 33.3579 33.6509 33.8716 34.2694 34.6647 34.7917 34.9626 35.3356 35.7595 35.8562 36.5763 36.9388 37.4670 37.8731 38.4043 38.4651 38.9600 39.3160 40.1037 40.5050 40.9246 41.1888 41.6173 42.3224 42.8081 42.8781 43.0691 43.2447 43.7738 43.9241 44.1250 44.7346 44.8190 45.2216 45.7615 45.9003 46.1217 46.2989 46.6803 46.8094 47.1562 47.4841 47.7960 48.1854 48.9429 49.0741 49.4572 49.6514 49.7609 50.0362 50.3382 50.8767 51.6602 51.8153 52.0698 52.4513 52.6107 52.6444 52.6742 52.9709 53.0690 53.2853 53.5238 53.6761 53.8734 54.0739 54.4393 54.5989 54.8483 55.4398 55.7625 56.3776 56.4758 56.7006 57.0211 57.2544 57.3388 57.8354 59.7203 60.1139 60.5003 60.9041 61.3048 61.4932 63.0245 63.4845 63.6307 63.7243 63.8521 64.1781 64.5757 64.6324 64.9995 65.1219 65.5891 65.7329 66.0324 66.2407 66.6326 66.8469 67.2196 67.9689 70.0247 70.4764 70.8514 71.4873 72.0139 72.1646 72.9707 73.4076 73.9837 74.0812 74.4157 74.5250 74.8225 74.9466 75.2413 75.4168 75.6370 75.8427 76.4561 77.1938 77.4473 77.6744 78.3216 79.5849 80.9728 81.1994 81.6828 81.8967 82.0652 82.4131 83.0811 83.7457 84.5239 84.7592 91.1570 91.2965 92.6063 94.3554 95.1172 95.3621 95.6343 95.8080 96.6257 1390.8816 7693.6470</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="99">0.00 0.00 0.00 0.00 0.00 0.00 29.26 49.65 53.14 78.87 81.98 101.31 144.97 156.88 171.94 179.45 194.53 200.95 247.41 287.14 313.05 328.41 333.04 335.93 367.83 404.46 541.07 638.82 639.98 644.66 671.85 691.02 703.72 726.23 754.40 765.43 770.95 776.39 781.64 803.04 861.30 867.99 875.69 906.36 911.82 918.34 940.53 943.25 950.17 966.65 991.40 1006.68 1009.35 1066.32 1085.98 1094.06 1097.64 1099.96 1124.20 1126.81 1162.16 1165.93 1219.90 1227.22 1231.09 1289.08 1293.08 1309.91 1316.83 1377.96 1399.80 1405.49 1409.19 1459.13 1464.06 1478.72 1483.74 1492.89 1501.66 1513.70 1585.03 1586.64 1590.61 1755.19 2311.03 2378.45 2553.32 3060.26 3169.96 3231.68 3251.54 3272.95 3275.60 3289.40 3289.63 3295.00 3300.69 3306.07 3312.25</array>
                     <matrix cols="99"
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                  <atom elementType="H"
                        id="a29"
                        x3="-1.651009"
                        y3="1.633991"
                        z3="-1.251873"/>
                  <atom elementType="C"
                        id="a30"
                        x3="-2.650609"
                        y3="-0.988113"
                        z3="-1.385726"/>
                  <atom elementType="H"
                        id="a31"
                        x3="-2.998154"
                        y3="-1.912223"
                        z3="-0.908797"/>
                  <atom elementType="H"
                        id="a32"
                        x3="-2.879442"
                        y3="-0.174227"
                        z3="-0.579646"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-3.295549"
                        y3="-0.682559"
                        z3="-2.216124"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a27" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a23" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a25" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a12 a30" order="S"/>
                  <bond atomRefs2="a12 a32" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
               </bondArray>
               <formula concise="C10H15BN6Pt">
                  <atomArray count="10 15 1 6 1" elementType="C H B N Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">410.0362</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C9H10BN6.CH4.Pt.H/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;;;/h1-10H;1H4;;/q-2;;+2;/rC10H15BN6Pt/c1-4-12-13(5-1)11-14-6-2-8-16(14)18(10-19-18)17-9-3-7-15(11)17/h1-9,11,18H,10H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:5,10,16,1,9,15,4,11,17,6,2,8,14,3,7,13;30;12;29/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16);;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11-1,12-1,13.2;;;/rA:33nC3NNC3C3B4NNC3C3C3PtNN2C3C3C3HHHHHHHHHHHHC5HH2H/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;s7s10;s2s8;s6;s13;s14;s15;s13s16;s15;s17;s16;s6;s11;s4;s10;s5;s9;s1;;s12;s12s28;s30;s12s30;s30;/rC:.1995,2.986,.6297;.1688,1.6596,.4722;1.3181,1.1497,.9403;2.0856,2.1527,1.3981;1.4107,3.3521,1.2213;1.7275,-.3546,.8595;.5973,-1.2086,1.4635;-.6853,-1.0433,1.1284;-1.3989,-1.9445,1.8027;-.5504,-2.7279,2.5956;.7143,-2.2165,2.3464;-1.2553,.4876,-.2694;2.0428,-.7788,-.5744;1.094,-1.0285,-1.4861;1.73,-1.2989,-2.6177;3.1278,-1.2274,-2.4482;3.2792,-.8902,-1.1165;1.1647,-1.5416,-3.5178;4.1709,-.7269,-.5147;3.9091,-1.4042,-3.1834;2.7263,-.4798,1.5406;1.6898,-2.4971,2.7363;3.0664,1.9402,1.816;-.8199,-3.5417,3.263;1.7468,4.3507,1.4853;-2.482,-1.9803,1.6991;-.6466,3.5908,.3146;-1.6215,-1.1432,-1.7548;-1.651,1.634,-1.2519;-2.6506,-.9881,-1.3857;-2.9982,-1.9122,-.9088;-2.8794,-.1742,-.5796;-3.2955,-.6826,-2.2161;/R:/0/N:16,5,10,15,17,4,11,1,9,30,6,14,13,3,7,2,8,12,32/E:(2,3)(6,7)(8,9)(14,15)(16,17)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.5,11.4,12.2,18.5,19.2</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">-861.47253798</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">1550.71897168</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-2412.19150966</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-4297.71976677</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1885.52825711</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-1636.77170067</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">775.29916270</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.11114855</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">70.000017908578</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">70.000017908578</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">140.000035817156</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-83.433971747455</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-4.902124048038</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-88.336095795492</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042440951</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.041931249</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.039886127</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.041607840</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042465937</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.041706390</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.041460378</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.041809987</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042367380</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.041830576</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.041928300</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042043158</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.041866560</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.041931295</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042022508</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042078248</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042134262</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042140286</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042145262</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042145296</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042151385</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042150883</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="345">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="345">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 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="345"
                            units="nonsi:electronvolt">-393.7752 -393.4911 -393.2841 -393.0457 -392.5032 -391.3912 -279.6570 -279.5694 -279.4775 -279.4159 -279.3846 -278.7806 -278.6339 -278.4960 -278.3957 -277.7928 -185.1287 -107.7801 -60.2167 -59.9275 -59.0173 -29.7903 -29.4213 -28.3927 -23.2675 -22.8219 -22.2345 -21.8133 -21.7563 -20.9469 -20.5538 -17.5026 -17.4340 -17.0902 -16.3189 -16.1585 -16.0271 -15.5898 -15.4319 -14.5433 -13.4187 -13.2501 -13.1777 -12.8998 -12.6648 -12.4465 -12.3506 -12.1609 -11.9894 -11.9001 -11.6898 -11.6112 -11.3721 -11.1856 -10.9917 -10.8723 -10.6583 -9.4238 -8.9412 -8.5140 -8.1968 -8.1763 -7.7759 -7.7242 -7.5150 -6.9086 -6.8228 -6.7680 -6.6386 -6.2687 -0.4373 -0.1529 0.3169 1.0735 1.2505 1.5227 1.6442 1.8731 2.2001 2.4051 2.6109 2.9145 2.9942 3.1737 3.2764 3.4090 3.5589 3.6163 4.0379 4.0885 4.3141 4.4678 4.6200 4.7035 5.0111 5.3215 5.4946 5.7907 6.2308 6.5091 6.5774 6.8514 7.1790 7.3285 7.6226 8.1292 8.6053 8.9317 9.1446 9.7505 9.8911 10.0054 10.3106 10.6558 11.0342 11.1680 11.2710 11.3444 11.4821 11.8034 12.0298 12.0801 12.4492 12.5424 12.8269 12.9089 13.0861 13.9903 14.0484 14.3777 14.4839 14.5612 14.8005 15.1632 15.2362 15.3821 15.6196 15.8786 16.0103 16.3153 16.6311 16.7017 16.9031 17.4793 17.5953 17.7999 18.0088 18.2688 18.4716 18.5264 18.6303 18.8948 18.9159 19.1143 19.1326 19.3252 19.4668 19.7234 19.7640 19.8799 20.2695 20.4072 20.6147 20.6797 21.2913 21.3744 21.5308 21.9768 22.2829 22.5103 22.7102 23.1962 23.4890 24.4245 24.6504 24.9645 25.6389 25.7165 26.2317 26.6699 26.8998 27.2535 27.8418 28.1327 28.3726 28.6620 28.8802 29.5755 29.9266 30.4203 30.5038 31.2109 31.2666 31.6689 31.8298 31.9882 32.9696 33.0570 33.5388 33.5688 34.1813 34.4964 34.6103 34.7492 34.8313 35.4758 35.5370 35.7027 36.1457 36.9481 37.2820 37.6252 37.7218 38.7103 38.7919 39.1080 39.3178 40.4065 40.7797 41.0396 41.4005 42.0646 42.6770 43.0258 43.0684 43.3564 43.3823 43.9835 44.1580 44.4228 44.9195 45.1505 45.7493 45.7909 46.0963 46.3137 46.5467 46.6989 47.0931 47.3735 47.7385 48.0368 48.8516 49.0636 49.3036 49.6009 49.9202 50.0608 50.2849 50.9186 51.5379 51.6641 51.9137 52.2515 52.3909 52.4676 52.6150 52.7531 52.9981 53.1204 53.4711 53.5839 53.7572 54.1127 54.2628 54.5501 54.6493 55.2537 55.8453 56.1129 56.2307 56.7448 56.9378 57.3647 57.5453 57.9090 59.7200 60.1148 60.4511 60.8491 61.0572 61.5651 62.7288 63.3832 63.5499 63.6966 63.7975 64.0705 64.2030 64.7105 64.7745 65.0790 65.6059 66.0421 66.1600 66.3852 66.5052 67.0669 67.3803 68.6564 69.8435 70.2306 70.8440 71.3969 71.9574 72.3695 72.9236 73.5128 73.9823 74.0182 74.4140 74.4839 74.8217 74.9443 75.2841 75.5142 75.7919 75.9162 76.3417 77.0265 77.8274 78.0622 78.3921 79.1724 80.7596 81.1367 81.6136 81.6601 81.9632 82.1136 83.1309 83.7751 84.3539 84.6475 91.1604 91.4013 92.5540 94.0676 94.9325 95.3115 95.4756 95.7087 96.6761 1390.2011 7693.2379</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="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">C N N C C B N N C C C Pt N N C C C H H H H H H H H H H H H C H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="33">0.154232 -0.254245 -0.092600 0.126920 -0.147323 0.235797 -0.082498 -0.285439 0.116610 -0.150557 0.127666 0.146693 -0.137592 -0.153870 0.069444 -0.159129 0.110198 0.018599 0.025874 0.020013 -0.149123 0.044984 0.049027 0.033415 0.038810 0.037781 0.061206 0.180715 -0.066614 -0.210065 0.085087 0.109371 0.096612</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="33">C N N C C B N N C C C Pt N N C C C H H H H H H H H H H H H C H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="33">0.032676 0.063404 0.131543 0.027888 -0.102727 -0.276728 0.133887 0.007168 0.003261 -0.106955 0.023321 -0.279476 0.097016 -0.054219 -0.041959 -0.123210 -0.005893 0.019751 0.030135 0.029789 -0.041533 0.040427 0.042080 0.037373 0.040224 0.033416 0.047631 0.106622 -0.082134 -0.024028 0.054063 0.077561 0.059627</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">C N N C C B N N C C C Pt N N C C C H H H H H H H H H H H H C H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="33">5.8458 7.2542 7.0926 5.8731 6.1473 4.7642 7.0825 7.2854 5.8834 6.1506 5.8723 17.8533 7.1376 7.1539 5.9306 6.1591 5.8898 0.9814 0.9741 0.9800 1.1491 0.9550 0.9510 0.9666 0.9612 0.9622 0.9388 0.8193 1.0666 6.2101 0.9149 0.8906 0.9034</array>
                     <array dataType="xsd:double" dictRef="o:za" size="33">6.0000 7.0000 7.0000 6.0000 6.0000 5.0000 7.0000 7.0000 6.0000 6.0000 6.0000 18.0000 7.0000 7.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="33">0.1542 -0.2542 -0.0926 0.1269 -0.1473 0.2358 -0.0825 -0.2854 0.1166 -0.1506 0.1277 0.1467 -0.1376 -0.1539 0.0694 -0.1591 0.1102 0.0186 0.0259 0.0200 -0.1491 0.0450 0.0490 0.0334 0.0388 0.0378 0.0612 0.1807 -0.0666 -0.2101 0.0851 0.1094 0.0966</array>
                     <array dataType="xsd:double" dictRef="o:va" size="33">3.8194 3.3469 3.4438 3.8393 3.8563 3.6690 3.4764 3.1384 3.8462 3.8695 3.8336 2.8384 3.4517 3.0086 3.8712 3.8530 3.8146 0.9879 0.9974 0.9937 0.9601 0.9973 0.9984 0.9946 0.9947 0.9952 0.9913 0.9918 1.0253 3.9301 0.9818 1.0393 0.9693</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="33">3.8194 3.3469 3.4438 3.8393 3.8563 3.6690 3.4764 3.1384 3.8462 3.8695 3.8336 2.8384 3.4517 3.0086 3.8712 3.8530 3.8146 0.9879 0.9974 0.9937 0.9601 0.9973 0.9984 0.9946 0.9947 0.9952 0.9913 0.9918 1.0253 3.9301 0.9818 1.0393 0.9693</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="33">-0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 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="38">1.3702 1.3684 0.9859 1.1681 0.5981 1.3216 0.8127 1.4090 0.9847 0.9941 0.8503 0.9038 0.9041 1.1868 1.3104 1.4118 0.3109 1.3656 0.9816 1.4218 0.9936 0.9863 0.1344 0.9040 0.3544 0.3028 1.1726 1.2502 1.5040 1.3163 0.9895 1.4557 0.9899 0.9811 0.8842 0.9580 0.7190 0.9605</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="38">0 1 0 4 0 26 1 2 1 11 2 3 2 5 3 4 3 22 4 24 5 6 5 12 5 20 6 7 6 10 7 8 7 11 8 9 8 25 9 10 9 23 10 21 11 13 11 28 11 29 11 31 12 13 12 16 13 14 14 15 14 17 15 16 15 19 16 18 27 29 29 30 29 31 29 32</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.042150548</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-861.518720225437</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">168.19113 -168.53753 -0.34640 -65.81082 65.73116 -0.07966 42.67181 -42.07383 0.59797</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">0.69564</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">1.76817</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">425.17</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-861.51872023</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.25932560</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.01414439</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">-861.24241769</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.01697693</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.25932560</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.27630254</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-861.24241769</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-861.24147348</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">0.02500418</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01595548</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02092105</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.06188070</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-861.24147348</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.06188070</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-861.30335418</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.21536604</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
