<?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="4">1 2 3 4</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="4">7s6p5d1f 7s4p1d 7s4p1d 4s1p</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="4">6s3p2d1f 3s2p1d 3s2p1d 2s1p</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="45">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="45">Ta N N N N C H H C H C H H H C H H H C H H H C H H H C H H H C H H H C H H C H H H H C H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="45">1 2 2 2 2 3 4 4 3 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 4 4 4 4 3 4 4</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">Ta</scalar>
                           <scalar dataType="xsd:string" dictRef="o:ecptype">ECP Def2-ECP</scalar>
                        </list>
                     </list>
                  </module>
                  <module cmlx:templateRef="atombasis">
                     <list cmlx:templateRef="missingID">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">0</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Ta</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">Ta</scalar>
                           <scalar dataType="xsd:string" dictRef="o:ecptype">ECP Def2-ECP</scalar>
                        </list>
                     </list>
                  </module>
                  <module cmlx:templateRef="atombasis">
                     <list cmlx:templateRef="missingID">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">0</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Ta</scalar>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                        </list>
                     </list>
                  </module>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="Ta"
                        id="a1"
                        x3="0.02583"
                        y3="-0.01132"
                        z3="0.08914"/>
                  <atom elementType="N"
                        id="a2"
                        x3="-0.1331"
                        y3="-1.66488"
                        z3="-1.06251"/>
                  <atom elementType="N"
                        id="a3"
                        x3="-2.01176"
                        y3="0.00951"
                        z3="0.37792"/>
                  <atom elementType="N"
                        id="a4"
                        x3="2.09189"
                        y3="0.00395"
                        z3="-0.04336"/>
                  <atom elementType="N"
                        id="a5"
                        x3="-0.1166"
                        y3="1.66352"
                        z3="-1.0454"/>
                  <atom elementType="C"
                        id="a6"
                        x3="0.02554"
                        y3="-1.23888"
                        z3="2.23657"/>
                  <atom elementType="H"
                        id="a7"
                        x3="-1.0445"
                        y3="-1.41148"
                        z3="2.37072"/>
                  <atom elementType="H"
                        id="a8"
                        x3="0.66383"
                        y3="-2.11843"
                        z3="2.35438"/>
                  <atom elementType="C"
                        id="a9"
                        x3="0.59302"
                        y3="0.01868"
                        z3="2.4857"/>
                  <atom elementType="H"
                        id="a10"
                        x3="1.67584"
                        y3="0.01889"
                        z3="2.63121"/>
                  <atom elementType="C"
                        id="a11"
                        x3="0.02369"
                        y3="1.27147"
                        z3="2.25973"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-1.05096"
                        y3="1.43689"
                        z3="2.35627"/>
                  <atom elementType="H"
                        id="a13"
                        x3="0.65585"
                        y3="2.1559"
                        z3="2.37087"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-3.16244"
                        y3="-1.21079"
                        z3="1.67219"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-2.80706"
                        y3="-1.1683"
                        z3="0.62128"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-2.23311"
                        y3="-2.08298"
                        z3="0.4260"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-3.71239"
                        y3="-1.17915"
                        z3="-0.01698"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-3.70171"
                        y3="1.20657"
                        z3="-0.03767"/>
                  <atom elementType="C"
                        id="a19"
                        x3="-2.80295"
                        y3="1.19174"
                        z3="0.60976"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-3.16926"
                        y3="1.23812"
                        z3="1.65673"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-2.22172"
                        y3="2.10245"
                        z3="0.41851"/>
                  <atom elementType="H"
                        id="a22"
                        x3="4.17028"
                        y3="0.1146"
                        z3="0.33001"/>
                  <atom elementType="C"
                        id="a23"
                        x3="3.20971"
                        y3="0.05584"
                        z3="0.87215"/>
                  <atom elementType="H"
                        id="a24"
                        x3="3.27202"
                        y3="-0.84079"
                        z3="1.51971"/>
                  <atom elementType="H"
                        id="a25"
                        x3="3.17424"
                        y3="0.94131"
                        z3="1.53535"/>
                  <atom elementType="H"
                        id="a26"
                        x3="3.12863"
                        y3="0.89866"
                        z3="-1.67219"/>
                  <atom elementType="C"
                        id="a27"
                        x3="2.55203"
                        y3="-0.01448"
                        z3="-1.42048"/>
                  <atom elementType="H"
                        id="a28"
                        x3="3.20677"
                        y3="-0.88644"
                        z3="-1.62159"/>
                  <atom elementType="H"
                        id="a29"
                        x3="1.70798"
                        y3="-0.07111"
                        z3="-2.12445"/>
                  <atom elementType="H"
                        id="a30"
                        x3="1.60682"
                        y3="-2.54481"
                        z3="-0.28087"/>
                  <atom elementType="C"
                        id="a31"
                        x3="0.76582"
                        y3="-2.78804"
                        z3="-0.94414"/>
                  <atom elementType="H"
                        id="a32"
                        x3="1.17875"
                        y3="-3.07803"
                        z3="-1.93092"/>
                  <atom elementType="H"
                        id="a33"
                        x3="0.25134"
                        y3="-3.67985"
                        z3="-0.53232"/>
                  <atom elementType="H"
                        id="a34"
                        x3="-1.74401"
                        y3="-2.84123"
                        z3="-1.79225"/>
                  <atom elementType="C"
                        id="a35"
                        x3="-1.17037"
                        y3="-1.92205"
                        z3="-2.02893"/>
                  <atom elementType="H"
                        id="a36"
                        x3="-1.88314"
                        y3="-1.08803"
                        z3="-2.07948"/>
                  <atom elementType="H"
                        id="a37"
                        x3="-0.74196"
                        y3="-2.06388"
                        z3="-3.04105"/>
                  <atom elementType="C"
                        id="a38"
                        x3="-1.15192"
                        y3="1.9332"
                        z3="-2.01042"/>
                  <atom elementType="H"
                        id="a39"
                        x3="-0.71901"
                        y3="2.09865"
                        z3="-3.01708"/>
                  <atom elementType="H"
                        id="a40"
                        x3="-1.73525"
                        y3="2.84299"
                        z3="-1.76022"/>
                  <atom elementType="H"
                        id="a41"
                        x3="-1.85821"
                        y3="1.09519"
                        z3="-2.0831"/>
                  <atom elementType="H"
                        id="a42"
                        x3="0.25716"
                        y3="3.66512"
                        z3="-0.45454"/>
                  <atom elementType="C"
                        id="a43"
                        x3="0.77228"
                        y3="2.79065"
                        z3="-0.90252"/>
                  <atom elementType="H"
                        id="a44"
                        x3="1.16823"
                        y3="3.11701"
                        z3="-1.88496"/>
                  <atom elementType="H"
                        id="a45"
                        x3="1.62495"
                        y3="2.53366"
                        z3="-0.25963"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a35" order="S"/>
                  <bond atomRefs2="a2 a31" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a4 a23" order="S"/>
                  <bond atomRefs2="a5 a38" order="S"/>
                  <bond atomRefs2="a5 a43" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
               </bondArray>
               <formula concise="C11H29N4Ta">
                  <atomArray count="11 29 4 1" elementType="C H N Ta"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">369.0923999999998</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC8H24N4Ta.C3H5/c1-9(2)13(10(3)4,11(5)6)12(7)8;1-3-2/h1-8H3;3H,1-2H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNC3HHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0258,-.0113,.0891;-.1331,-1.6649,-1.0625;-2.0118,.0095,.3779;2.0919,.004,-.0434;-.1166,1.6635,-1.0454;.0255,-1.2389,2.2366;-1.0445,-1.4115,2.3707;.6638,-2.1184,2.3544;.593,.0187,2.4857;1.6758,.0189,2.6312;.0237,1.2715,2.2597;-1.051,1.4369,2.3563;.6559,2.1559,2.3709;-3.1624,-1.2108,1.6722;-2.8071,-1.1683,.6213;-2.2331,-2.083,.426;-3.7124,-1.1791,-.017;-3.7017,1.2066,-.0377;-2.803,1.1917,.6098;-3.1693,1.2381,1.6567;-2.2217,2.1025,.4185;4.1703,.1146,.33;3.2097,.0558,.8721;3.272,-.8408,1.5197;3.1742,.9413,1.5353;3.1286,.8987,-1.6722;2.552,-.0145,-1.4205;3.2068,-.8864,-1.6216;1.708,-.0711,-2.1244;1.6068,-2.5448,-.2809;.7658,-2.788,-.9441;1.1787,-3.078,-1.9309;.2513,-3.6799,-.5323;-1.744,-2.8412,-1.7922;-1.1704,-1.9221,-2.0289;-1.8831,-1.088,-2.0795;-.742,-2.0639,-3.041;-1.1519,1.9332,-2.0104;-.719,2.0987,-3.0171;-1.7352,2.843,-1.7602;-1.8582,1.0952,-2.0831;.2572,3.6651,-.4545;.7723,2.7906,-.9025;1.1682,3.117,-1.885;1.6249,2.5337,-.2596;/R:/0/N:15,19,23,27,31,35,38,43,3,4,2,5,1;6,11,9/E:(1,2,3,4,5,6,7,8)(9,10,11,12);(1,2)/CRV:13.4;1.3,2.3,3.3</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">1143</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-15-ts-opt_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">136</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">387</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1449.0285774016 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">1.306e-03</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.040 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">0.019 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.061 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">1143</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-15-ts-opt_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">136</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">387</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1448.4494942098 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">1.326e-03</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.029 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">0.015 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.046 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <scalar dataType="xsd:integer" dictRef="o:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="11">PBE0 D3BJ def2-SVP def2/J RIJCOSX TightSCF defgrid3 OptTS VeryTightOpt Freq pal8</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">geom</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">calc_hess true</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">recalc_hess 10</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">trust -0.1</scalar>
                        <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="Ta"
                              id="a1"
                              x3="0.025818"
                              y3="-0.020699"
                              z3="0.088615"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.13708"
                              y3="-1.670163"
                              z3="-1.065857"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.011446"
                              y3="0.010412"
                              z3="0.377627"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.09183"
                              y3="0.000509"
                              z3="-0.043047"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.112928"
                              y3="1.658275"
                              z3="-1.042589"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.024176"
                              y3="-1.237167"
                              z3="2.232787"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.044981"
                              y3="-1.409478"
                              z3="2.374214"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.662293"
                              y3="-2.11665"
                              z3="2.352709"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.593165"
                              y3="0.02052"
                              z3="2.486219"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.675915"
                              y3="0.019324"
                              z3="2.632366"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.025058"
                              y3="1.273102"
                              z3="2.264745"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.050053"
                              y3="1.438384"
                              z3="2.353742"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.657087"
                              y3="2.157662"
                              z3="2.375102"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.161513"
                              y3="-1.207687"
                              z3="1.674869"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.808452"
                              y3="-1.165917"
                              z3="0.623161"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.23677"
                              y3="-2.08181"
                              z3="0.426722"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.715172"
                              y3="-1.175033"
                              z3="-0.013126"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.698392"
                              y3="1.210687"
                              z3="-0.040895"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.800727"
                              y3="1.194057"
                              z3="0.607997"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.168736"
                              y3="1.241071"
                              z3="1.654319"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.217417"
                              y3="2.103587"
                              z3="0.417715"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.165693"
                              y3="0.154702"
                              z3="0.327591"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.208678"
                              y3="0.074486"
                              z3="0.870981"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.291258"
                              y3="-0.820624"
                              z3="1.517144"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.155505"
                              y3="0.956895"
                              z3="1.535385"/>
                        <atom elementType="H"
                              id="a26"
                              x3="3.116937"
                              y3="0.889829"
                              z3="-1.681523"/>
                        <atom elementType="C"
                              id="a27"
                              x3="2.55249"
                              y3="-0.027018"
                              z3="-1.419747"/>
                        <atom elementType="H"
                              id="a28"
                              x3="3.21804"
                              y3="-0.89171"
                              z3="-1.611707"/>
                        <atom elementType="H"
                              id="a29"
                              x3="1.71019"
                              y3="-0.101806"
                              z3="-2.122386"/>
                        <atom elementType="H"
                              id="a30"
                              x3="1.601109"
                              y3="-2.553396"
                              z3="-0.283538"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.762615"
                              y3="-2.79322"
                              z3="-0.951146"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.179277"
                              y3="-3.076889"
                              z3="-1.938034"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.247292"
                              y3="-3.6875"
                              z3="-0.546414"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.746725"
                              y3="-2.844121"
                              z3="-1.800699"/>
                        <atom elementType="C"
                              id="a35"
                              x3="-1.173963"
                              y3="-1.923558"
                              z3="-2.033688"/>
                        <atom elementType="H"
                              id="a36"
                              x3="-1.887228"
                              y3="-1.089801"
                              z3="-2.080195"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.745601"
                              y3="-2.060572"
                              z3="-3.046428"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.148075"
                              y3="1.931264"
                              z3="-2.006844"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.714639"
                              y3="2.100695"
                              z3="-3.012569"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.732269"
                              y3="2.839773"
                              z3="-1.753936"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.853917"
                              y3="1.093256"
                              z3="-2.083329"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.260435"
                              y3="3.656759"
                              z3="-0.440659"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.774911"
                              y3="2.7854"
                              z3="-0.89531"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.1677"
                              y3="3.118189"
                              z3="-1.87673"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.629682"
                              y3="2.525598"
                              z3="-0.256473"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC8H24N4Ta.C3H5/c1-9(2)13(10(3)4,11(5)6)12(7)8;1-3-2/h1-8H3;3H,1-2H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNC3HHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0258,-.0207,.0886;-.1371,-1.6702,-1.0659;-2.0114,.0104,.3776;2.0918,.0005,-.043;-.1129,1.6583,-1.0426;.0242,-1.2372,2.2328;-1.045,-1.4095,2.3742;.6623,-2.1166,2.3527;.5932,.0205,2.4862;1.6759,.0193,2.6324;.0251,1.2731,2.2647;-1.0501,1.4384,2.3537;.6571,2.1577,2.3751;-3.1615,-1.2077,1.6749;-2.8085,-1.1659,.6232;-2.2368,-2.0818,.4267;-3.7152,-1.175,-.0131;-3.6984,1.2107,-.0409;-2.8007,1.1941,.608;-3.1687,1.2411,1.6543;-2.2174,2.1036,.4177;4.1657,.1547,.3276;3.2087,.0745,.871;3.2913,-.8206,1.5171;3.1555,.9569,1.5354;3.1169,.8898,-1.6815;2.5525,-.027,-1.4197;3.218,-.8917,-1.6117;1.7102,-.1018,-2.1224;1.6011,-2.5534,-.2835;.7626,-2.7932,-.9511;1.1793,-3.0769,-1.938;.2473,-3.6875,-.5464;-1.7467,-2.8441,-1.8007;-1.174,-1.9236,-2.0337;-1.8872,-1.0898,-2.0802;-.7456,-2.0606,-3.0464;-1.1481,1.9313,-2.0068;-.7146,2.1007,-3.0126;-1.7323,2.8398,-1.7539;-1.8539,1.0933,-2.0833;.2604,3.6568,-.4407;.7749,2.7854,-.8953;1.1677,3.1182,-1.8767;1.6297,2.5256,-.2565;/R:/0/N:15,19,23,27,31,35,38,43,3,4,2,5,1;6,11,9/E:(1,2,3,4,5,6,7,8)(9,10,11,12);(1,2)/CRV:13.4;1.3,2.3,3.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.025758"
                              y3="-0.03006"
                              z3="0.088184"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.141346"
                              y3="-1.675281"
                              z3="-1.069336"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.011231"
                              y3="0.010976"
                              z3="0.377365"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.091738"
                              y3="-0.003625"
                              z3="-0.042921"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.10878"
                              y3="1.653206"
                              z3="-1.039508"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.023564"
                              y3="-1.234653"
                              z3="2.228756"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.044639"
                              y3="-1.40734"
                              z3="2.377633"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.662071"
                              y3="-2.113677"
                              z3="2.350701"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.59328"
                              y3="0.02358"
                              z3="2.486512"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.675989"
                              y3="0.021644"
                              z3="2.633043"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.025691"
                              y3="1.275559"
                              z3="2.269569"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.050014"
                              y3="1.440125"
                              z3="2.351029"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.657121"
                              y3="2.160615"
                              z3="2.378857"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.160678"
                              y3="-1.204389"
                              z3="1.678038"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.809774"
                              y3="-1.163884"
                              z3="0.625559"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.240159"
                              y3="-2.080994"
                              z3="0.428579"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.717782"
                              y3="-1.171801"
                              z3="-0.008896"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.69537"
                              y3="1.213955"
                              z3="-0.04477"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.798806"
                              y3="1.196034"
                              z3="0.605612"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.168553"
                              y3="1.244204"
                              z3="1.651261"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.213554"
                              y3="2.10437"
                              z3="0.415808"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.162099"
                              y3="0.191984"
                              z3="0.325718"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.207754"
                              y3="0.090967"
                              z3="0.870041"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.309305"
                              y3="-0.803342"
                              z3="1.514609"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.137432"
                              y3="0.970701"
                              z3="1.535916"/>
                        <atom elementType="H"
                              id="a26"
                              x3="3.102242"
                              y3="0.884306"
                              z3="-1.691223"/>
                        <atom elementType="C"
                              id="a27"
                              x3="2.552791"
                              y3="-0.03855"
                              z3="-1.419302"/>
                        <atom elementType="H"
                              id="a28"
                              x3="3.232177"
                              y3="-0.894276"
                              z3="-1.601921"/>
                        <atom elementType="H"
                              id="a29"
                              x3="1.711939"
                              y3="-0.134489"
                              z3="-2.120852"/>
                        <atom elementType="H"
                              id="a30"
                              x3="1.596032"
                              y3="-2.5613"
                              z3="-0.287783"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.759448"
                              y3="-2.798092"
                              z3="-0.958868"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.17891"
                              y3="-3.075633"
                              z3="-1.946275"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.243773"
                              y3="-3.694867"
                              z3="-0.560493"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.750191"
                              y3="-2.847321"
                              z3="-1.807592"/>
                        <atom elementType="C"
                              id="a35"
                              x3="-1.178536"
                              y3="-1.925426"
                              z3="-2.03771"/>
                        <atom elementType="H"
                              id="a36"
                              x3="-1.892389"
                              y3="-1.091981"
                              z3="-2.080062"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.750889"
                              y3="-2.058081"
                              z3="-3.051309"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.143171"
                              y3="1.929291"
                              z3="-2.003663"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.708596"
                              y3="2.102884"
                              z3="-3.008187"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.728647"
                              y3="2.836361"
                              z3="-1.748357"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.848316"
                              y3="1.091085"
                              z3="-2.084488"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.263525"
                              y3="3.648563"
                              z3="-0.425751"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.777721"
                              y3="2.780471"
                              z3="-0.887117"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.167784"
                              y3="3.120044"
                              z3="-1.867288"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.634348"
                              y3="2.517758"
                              z3="-0.251976"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
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                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
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                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
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                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="0.025737"
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                              z3="-1.072779"/>
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                              x3="-2.010918"
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                              z3="0.37701"/>
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                              id="a5"
                              x3="-0.104731"
                              y3="1.648302"
                              z3="-1.036662"/>
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                              x3="0.023017"
                              y3="-1.232378"
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                              y3="-2.110971"
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                              x3="0.026331"
                              y3="1.277751"
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                              x3="0.756267"
                              y3="-2.802796"
                              z3="-0.96627"/>
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                              y3="2.77586"
                              z3="-0.879106"/>
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                              x3="1.167593"
                              y3="3.122226"
                              z3="-1.857954"/>
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                              x3="1.638645"
                              y3="2.510468"
                              z3="-0.247553"/>
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                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
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                              x3="-0.696216"
                              y3="2.106466"
                              z3="-3.000614"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.722063"
                              y3="2.828902"
                              z3="-1.7393"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.836678"
                              y3="1.085931"
                              z3="-2.087959"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.268305"
                              y3="3.633001"
                              z3="-0.397246"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.782432"
                              y3="2.771619"
                              z3="-0.871501"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.167259"
                              y3="3.124511"
                              z3="-1.849038"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.642643"
                              y3="2.503758"
                              z3="-0.243396"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0257,-.0476,.0869;-.1497,-1.6849,-1.0761;-2.0105,.0123,.3766;2.0916,-.0111,-.0425;-.1009,1.6437,-1.034;.0227,-1.2301,2.2209;-1.0435,-1.4037,2.384;.662,-2.1082,2.3468;.5936,.0291,2.4875;1.6762,.0259,2.6353;.0267,1.2799,2.2798;-1.0501,1.4427,2.3465;.6566,2.1661,2.388;-3.1584,-1.1975,1.6844;-2.8121,-1.1595,.6303;-2.2468,-2.0791,.4321;-3.7229,-1.165,-.0002;-3.6889,1.2209,-.0527;-2.7947,1.2002,.6008;-3.168,1.2506,1.645;-2.2055,2.1062,.4121;4.1531,.2672,.321;3.2059,.122,.8676;3.3465,-.7721,1.5054;3.1016,.9928,1.5399;3.0751,.8727,-1.7092;2.5536,-.0604,-1.4182;3.2582,-.8989,-1.5835;1.7162,-.1954,-2.1172;1.586,-2.5761,-.2955;.7531,-2.8072,-.9732;1.1781,-3.0735,-1.9613;.2367,-3.7085,-.5867;-1.7569,-2.8537,-1.8203;-1.1876,-1.9292,-2.0453;-1.9026,-1.0965,-2.0798;-.7614,-2.0537,-3.0605;-1.1334,1.9249,-1.9986;-.6962,2.1065,-3.0006;-1.7221,2.8289,-1.7393;-1.8367,1.0859,-2.088;.2683,3.633,-.3972;.7824,2.7716,-.8715;1.1673,3.1245,-1.849;1.6426,2.5038,-.2434;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.025764"
                              y3="-0.055584"
                              z3="0.086137"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.15368"
                              y3="-1.689176"
                              z3="-1.079322"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.010103"
                              y3="0.012937"
                              z3="0.376092"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.091631"
                              y3="-0.014397"
                              z3="-0.042243"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.097224"
                              y3="1.639507"
                              z3="-1.031593"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.022673"
                              y3="-1.22764"
                              z3="2.217211"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.042528"
                              y3="-1.402043"
                              z3="2.386923"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.662735"
                              y3="-2.105021"
                              z3="2.345004"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.593726"
                              y3="0.032243"
                              z3="2.488231"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.676156"
                              y3="0.028696"
                              z3="2.636995"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.026557"
                              y3="1.282274"
                              z3="2.285235"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.050797"
                              y3="1.443768"
                              z3="2.344778"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.655407"
                              y3="2.16917"
                              z3="2.393347"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.156929"
                              y3="-1.194283"
                              z3="1.687551"/>
                        <atom elementType="C"
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                              x3="-2.812967"
                              y3="-1.157542"
                              z3="0.632637"/>
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                              x3="-2.24961"
                              y3="-2.078242"
                              z3="0.433816"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.725079"
                              y3="-1.161987"
                              z3="0.00408"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.685832"
                              y3="1.223918"
                              z3="-0.05667"/>
                        <atom elementType="C"
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                              x3="-2.792686"
                              y3="1.202109"
                              z3="0.598298"/>
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                              x3="-3.167748"
                              y3="1.253512"
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                        <atom elementType="H"
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                        <atom elementType="H"
                              id="a22"
                              x3="4.147659"
                              y3="0.304374"
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                              x3="3.205077"
                              y3="0.135728"
                              z3="0.866163"/>
                        <atom elementType="H"
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                              x3="3.365781"
                              y3="-0.759345"
                              z3="1.498042"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.08444"
                              y3="0.999835"
                              z3="1.543869"/>
                        <atom elementType="H"
                              id="a26"
                              x3="3.064406"
                              y3="0.865937"
                              z3="-1.716923"/>
                        <atom elementType="C"
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                              x3="2.554047"
                              y3="-0.070673"
                              z3="-1.417464"/>
                        <atom elementType="H"
                              id="a28"
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                              id="a29"
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                              y3="-0.221765"
                              z3="-2.115224"/>
                        <atom elementType="H"
                              id="a30"
                              x3="1.581112"
                              y3="-2.582851"
                              z3="-0.298845"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.750063"
                              y3="-2.811262"
                              z3="-0.979717"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.177692"
                              y3="-3.07244"
                              z3="-1.968012"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.233217"
                              y3="-3.714498"
                              z3="-0.598693"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.760111"
                              y3="-2.856581"
                              z3="-1.826176"/>
                        <atom elementType="C"
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                              x3="-1.191882"
                              y3="-1.930949"
                              z3="-2.048797"/>
                        <atom elementType="H"
                              id="a36"
                              x3="-1.907614"
                              y3="-1.098678"
                              z3="-2.079652"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.766495"
                              y3="-2.051699"
                              z3="-3.064771"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.128722"
                              y3="1.922738"
                              z3="-1.996715"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.690071"
                              y3="2.107955"
                              z3="-2.997403"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.719104"
                              y3="2.82518"
                              z3="-1.735791"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.830879"
                              y3="1.083252"
                              z3="-2.090076"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.270138"
                              y3="3.625988"
                              z3="-0.384242"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.784405"
                              y3="2.767794"
                              z3="-0.864275"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.166951"
                              y3="3.126798"
                              z3="-1.840491"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.646196"
                              y3="2.497743"
                              z3="-0.23928"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0258,-.0556,.0861;-.1537,-1.6892,-1.0793;-2.0101,.0129,.3761;2.0916,-.0144,-.0422;-.0972,1.6395,-1.0316;.0227,-1.2276,2.2172;-1.0425,-1.402,2.3869;.6627,-2.105,2.345;.5937,.0322,2.4882;1.6762,.0287,2.637;.0266,1.2823,2.2852;-1.0508,1.4438,2.3448;.6554,2.1692,2.3933;-3.1569,-1.1943,1.6876;-2.813,-1.1575,.6326;-2.2496,-2.0782,.4338;-3.7251,-1.162,.0041;-3.6858,1.2239,-.0567;-2.7927,1.2021,.5983;-3.1677,1.2535,1.6419;-2.2017,2.107,.4102;4.1477,.3044,.3182;3.2051,.1357,.8662;3.3658,-.7593,1.498;3.0844,.9998,1.5439;3.0644,.8659,-1.7169;2.554,-.0707,-1.4175;3.2686,-.9021,-1.5752;1.7184,-.2218,-2.1152;1.5811,-2.5829,-.2988;.7501,-2.8113,-.9797;1.1777,-3.0724,-1.968;.2332,-3.7145,-.5987;-1.7601,-2.8566,-1.8262;-1.1919,-1.9309,-2.0488;-1.9076,-1.0987,-2.0797;-.7665,-2.0517,-3.0648;-1.1287,1.9227,-1.9967;-.6901,2.108,-2.9974;-1.7191,2.8252,-1.7358;-1.8309,1.0833,-2.0901;.2701,3.626,-.3842;.7844,2.7678,-.8643;1.167,3.1268,-1.8405;1.6462,2.4977,-.2393;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="0.025821"
                              y3="-0.062995"
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                              y3="-1.693102"
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                        <atom elementType="N"
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                              x3="-2.009607"
                              y3="0.013435"
                              z3="0.375532"/>
                        <atom elementType="N"
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                              x3="2.091656"
                              y3="-0.017339"
                              z3="-0.041877"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.093814"
                              y3="1.635658"
                              z3="-1.029326"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.022894"
                              y3="-1.225036"
                              z3="2.213647"/>
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                              id="a7"
                              x3="-1.041242"
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                        <atom elementType="H"
                              id="a8"
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                              y3="-2.1016"
                              z3="2.343333"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.593708"
                              y3="0.03558"
                              z3="2.489185"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.675989"
                              y3="0.031997"
                              z3="2.639098"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.025984"
                              y3="1.284749"
                              z3="2.290891"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.051904"
                              y3="1.444658"
                              z3="2.343424"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.653487"
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                        <atom elementType="H"
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                              x3="-3.155254"
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                              z3="1.690661"/>
                        <atom elementType="C"
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                              x3="-2.813599"
                              y3="-1.15574"
                              z3="0.634951"/>
                        <atom elementType="H"
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                              x3="-2.252098"
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                              z3="0.435624"/>
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                              id="a17"
                              x3="-3.727054"
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                              z3="0.008348"/>
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                              id="a18"
                              x3="-3.682866"
                              y3="1.226608"
                              z3="-0.060621"/>
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                              id="a19"
                              x3="-2.7908"
                              y3="1.203794"
                              z3="0.59579"/>
                        <atom elementType="H"
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                              y3="-0.748359"
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                              y3="-0.080502"
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                              y3="-0.906116"
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                        <atom elementType="H"
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                              y3="-2.589063"
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                        <atom elementType="C"
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                              x3="0.747085"
                              y3="-2.814949"
                              z3="-0.985863"/>
                        <atom elementType="H"
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                              x3="1.177243"
                              y3="-3.071393"
                              z3="-1.974277"/>
                        <atom elementType="H"
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                              x3="0.229846"
                              y3="-3.719994"
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                        <atom elementType="H"
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                              x3="-1.763165"
                              y3="-2.859319"
                              z3="-1.831652"/>
                        <atom elementType="C"
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                              x3="-1.196087"
                              y3="-1.932531"
                              z3="-2.052112"/>
                        <atom elementType="H"
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                              x3="-1.912465"
                              y3="-1.100714"
                              z3="-2.079482"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.771457"
                              y3="-2.049705"
                              z3="-3.068802"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.124147"
                              y3="1.920585"
                              z3="-1.995175"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.683969"
                              y3="2.109208"
                              z3="-2.994563"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.716348"
                              y3="2.821509"
                              z3="-1.732967"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.82514"
                              y3="1.080539"
                              z3="-2.092399"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.271577"
                              y3="3.619584"
                              z3="-0.372272"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.78613"
                              y3="2.764361"
                              z3="-0.85745"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.166767"
                              y3="3.128953"
                              z3="-1.832351"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.649262"
                              y3="2.49242"
                              z3="-0.235131"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0258,-.063,.0853;-.1575,-1.6931,-1.0824;-2.0096,.0134,.3755;2.0917,-.0173,-.0419;-.0938,1.6357,-1.0293;.0229,-1.225,2.2136;-1.0412,-1.4005,2.3896;.6638,-2.1016,2.3433;.5937,.0356,2.4892;1.676,.032,2.6391;.026,1.2847,2.2909;-1.0519,1.4447,2.3434;.6535,2.1725,2.3993;-3.1553,-1.1912,1.6907;-2.8136,-1.1557,.635;-2.2521,-2.0775,.4356;-3.7271,-1.1593,.0083;-3.6829,1.2266,-.0606;-2.7908,1.2038,.5958;-3.1675,1.2563,1.6387;-2.1982,2.1076,.4082;4.1417,.3408,.3151;3.2045,.1482,.8645;3.3855,-.7484,1.489;3.0683,1.0042,1.5489;3.0555,.8587,-1.7237;2.5545,-.0805,-1.4167;3.2772,-.9061,-1.5676;1.7204,-.2453,-2.1132;1.5764,-2.5891,-.302;.7471,-2.8149,-.9859;1.1772,-3.0714,-1.9743;.2298,-3.72,-.61;-1.7632,-2.8593,-1.8317;-1.1961,-1.9325,-2.0521;-1.9125,-1.1007,-2.0795;-.7715,-2.0497,-3.0688;-1.1241,1.9206,-1.9952;-.684,2.1092,-2.9946;-1.7163,2.8215,-1.733;-1.8251,1.0805,-2.0924;.2716,3.6196,-.3723;.7861,2.7644,-.8575;1.1668,3.129,-1.8324;1.6493,2.4924,-.2351;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.025909"
                              y3="-0.069919"
                              z3="0.084377"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.161233"
                              y3="-1.696724"
                              z3="-1.085397"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.009061"
                              y3="0.013862"
                              z3="0.374917"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.091718"
                              y3="-0.019991"
                              z3="-0.04144"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.090638"
                              y3="1.632123"
                              z3="-1.027186"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.023244"
                              y3="-1.222352"
                              z3="2.210241"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.03982"
                              y3="-1.399103"
                              z3="2.392113"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.665199"
                              y3="-2.098016"
                              z3="2.341767"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.593554"
                              y3="0.039048"
                              z3="2.490356"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.675661"
                              y3="0.035594"
                              z3="2.641611"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.025034"
                              y3="1.287293"
                              z3="2.296794"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.053365"
                              y3="1.445437"
                              z3="2.342463"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.651025"
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                              z3="2.405929"/>
                        <atom elementType="H"
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                              x3="-3.153489"
                              y3="-1.188263"
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                        <atom elementType="C"
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                              x3="-2.814055"
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                              x3="-2.254289"
                              y3="-2.076848"
                              z3="0.437461"/>
                        <atom elementType="H"
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                              x3="-3.728794"
                              y3="-1.156958"
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                              x3="-3.680005"
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                              z3="-0.064562"/>
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                              y3="1.205324"
                              z3="0.593252"/>
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                        <atom elementType="H"
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                              x3="3.053167"
                              y3="1.006474"
                              z3="1.554749"/>
                        <atom elementType="H"
                              id="a26"
                              x3="3.048305"
                              y3="0.85104"
                              z3="-1.729773"/>
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                              x3="2.554874"
                              y3="-0.089892"
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                              id="a29"
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                              id="a30"
                              x3="1.571886"
                              y3="-2.594827"
                              z3="-0.304988"/>
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                              id="a31"
                              x3="0.744203"
                              y3="-2.818334"
                              z3="-0.991633"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.176768"
                              y3="-3.070378"
                              z3="-1.980106"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.226589"
                              y3="-3.725034"
                              z3="-0.620507"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.766104"
                              y3="-2.861872"
                              z3="-1.836794"/>
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                              x3="-1.200143"
                              y3="-1.93399"
                              z3="-2.055247"/>
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                              x3="-1.917148"
                              y3="-1.102632"
                              z3="-2.079317"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.776256"
                              y3="-2.047795"
                              z3="-3.072609"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.119721"
                              y3="1.918459"
                              z3="-1.993931"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.677956"
                              y3="2.110234"
                              z3="-2.992028"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.713773"
                              y3="2.817913"
                              z3="-1.730715"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.819514"
                              y3="1.077821"
                              z3="-2.094836"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.272664"
                              y3="3.613751"
                              z3="-0.361326"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.787639"
                              y3="2.761255"
                              z3="-0.850998"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.166754"
                              y3="3.130889"
                              z3="-1.824607"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.651862"
                              y3="2.487707"
                              z3="-0.230907"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0259,-.0699,.0844;-.1612,-1.6967,-1.0854;-2.0091,.0139,.3749;2.0917,-.02,-.0414;-.0906,1.6321,-1.0272;.0232,-1.2224,2.2102;-1.0398,-1.3991,2.3921;.6652,-2.098,2.3418;.5936,.039,2.4904;1.6757,.0356,2.6416;.025,1.2873,2.2968;-1.0534,1.4454,2.3425;.651,2.176,2.4059;-3.1535,-1.1883,1.6937;-2.8141,-1.1541,.6372;-2.2543,-2.0768,.4375;-3.7288,-1.157,.0125;-3.68,1.229,-.0646;-2.789,1.2053,.5933;-3.1673,1.2588,1.6355;-2.1949,2.1082,.406;4.1352,.3765,.3116;3.2042,.1596,.8626;3.4056,-.7387,1.4785;3.0532,1.0065,1.5547;3.0483,.851,-1.7298;2.5549,-.0899,-1.4158;3.2843,-.9107,-1.5606;1.7223,-.2664,-2.1111;1.5719,-2.5948,-.305;.7442,-2.8183,-.9916;1.1768,-3.0704,-1.9801;.2266,-3.725,-.6205;-1.7661,-2.8619,-1.8368;-1.2001,-1.934,-2.0552;-1.9171,-1.1026,-2.0793;-.7763,-2.0478,-3.0726;-1.1197,1.9185,-1.9939;-.678,2.1102,-2.992;-1.7138,2.8179,-1.7307;-1.8195,1.0778,-2.0948;.2727,3.6138,-.3613;.7876,2.7613,-.851;1.1668,3.1309,-1.8246;1.6519,2.4877,-.2309;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
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                        <bond atomRefs2="a1 a6" order="S"/>
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                        <bond atomRefs2="a1 a5" order="S"/>
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                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
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                        <bond atomRefs2="a6 a8" order="S"/>
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                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
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                        <bond atomRefs2="a26 a27" order="S"/>
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                        <bond atomRefs2="a31 a33" order="S"/>
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                        <bond atomRefs2="a43 a44" order="S"/>
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                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
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                        <scalar units="unit:dalton">369.0923999999998</scalar>
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                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                     <formula concise="C11H29N4Ta">
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                        <atom elementType="H"
                              id="a44"
                              x3="1.167865"
                              y3="3.136953"
                              z3="-1.797026"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.658092"
                              y3="2.473909"
                              z3="-0.213288"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0265,-.0933,.0805;-.1743,-1.709,-1.0956;-2.0065,.0153,.3719;2.0924,-.0283,-.0394;-.0801,1.6206,-1.0198;.0242,-1.2118,2.1982;-1.0348,-1.3941,2.3997;.6703,-2.0838,2.3363;.5915,.0525,2.4968;1.6727,.0498,2.6547;.0191,1.2972,2.3221;-1.0609,1.4483,2.3422;.6389,2.1895,2.437;-3.1471,-1.1772,1.7036;-2.8149,-1.1482,.6447;-2.2611,-2.0746,.4444;-3.7338,-1.1491,.0261;-3.6693,1.2371,-.0799;-2.7822,1.2106,.5831;-3.1666,1.268,1.623;-2.1827,2.1102,.3974;4.1051,.5118,.2953;3.2057,.1971,.8525;3.4893,-.7089,1.4242;3.0039,.9983,1.5829;3.0299,.8206,-1.7482;2.556,-.1228,-1.4122;3.3025,-.9315,-1.5375;1.7275,-.3323,-2.1033;1.5558,-2.6141,-.3143;.7338,-2.8298,-1.0104;1.1747,-3.0677,-1.9986;.2148,-3.7416,-.6549;-1.7767,-2.8706,-1.8538;-1.2144,-1.9393,-2.0659;-1.9334,-1.1094,-2.0791;-.793,-2.0422,-3.0854;-1.1037,1.9104,-1.9912;-.6554,2.1127,-2.9843;-1.7051,2.8045,-1.726;-1.7986,1.0672,-2.1051;.2737,3.5952,-.3261;.7916,2.7516,-.8284;1.1679,3.137,-1.797;1.6581,2.4739,-.2133;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.026731"
                              y3="-0.098342"
                              z3="0.07955"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.17718"
                              y3="-1.711633"
                              z3="-1.097698"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.005862"
                              y3="0.015627"
                              z3="0.37111"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.092641"
                              y3="-0.030032"
                              z3="-0.038855"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.077832"
                              y3="1.618128"
                              z3="-1.018119"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.024276"
                              y3="-1.209221"
                              z3="2.19562"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.033882"
                              y3="-1.392841"
                              z3="2.401147"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.671233"
                              y3="-2.080464"
                              z3="2.33524"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.590637"
                              y3="0.055669"
                              z3="2.498619"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.671635"
                              y3="0.053073"
                              z3="2.658339"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.017411"
                              y3="1.299582"
                              z3="2.328372"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.0629"
                              y3="1.448987"
                              z3="2.342714"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.63564"
                              y3="2.192702"
                              z3="2.445199"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.145725"
                              y3="-1.174545"
                              z3="1.70565"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.81508"
                              y3="-1.146836"
                              z3="0.646207"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.262574"
                              y3="-2.074012"
                              z3="0.446005"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.734811"
                              y3="-1.147317"
                              z3="0.02888"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.666765"
                              y3="1.238811"
                              z3="-0.083568"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.780567"
                              y3="1.211814"
                              z3="0.580628"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.166295"
                              y3="1.270125"
                              z3="1.619883"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.179959"
                              y3="2.110624"
                              z3="0.395118"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.096476"
                              y3="0.543924"
                              z3="0.291059"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.206529"
                              y3="0.204928"
                              z3="0.849508"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.510689"
                              y3="-0.702844"
                              z3="1.407971"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.994042"
                              y3="0.992773"
                              z3="1.590788"/>
                        <atom elementType="H"
                              id="a26"
                              x3="3.026207"
                              y3="0.813548"
                              z3="-1.752049"/>
                        <atom elementType="C"
                              id="a27"
                              x3="2.556002"
                              y3="-0.130067"
                              z3="-1.411364"/>
                        <atom elementType="H"
                              id="a28"
                              x3="3.305785"
                              y3="-0.936381"
                              z3="-1.532669"/>
                        <atom elementType="H"
                              id="a29"
                              x3="1.728378"
                              y3="-0.346134"
                              z3="-2.101368"/>
                        <atom elementType="H"
                              id="a30"
                              x3="1.552313"
                              y3="-2.618168"
                              z3="-0.316101"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.73151"
                              y3="-2.832212"
                              z3="-1.014138"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.17411"
                              y3="-3.067287"
                              z3="-2.002245"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.212212"
                              y3="-3.744993"
                              z3="-0.661775"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.779052"
                              y3="-2.872599"
                              z3="-1.857231"/>
                        <atom elementType="C"
                              id="a35"
                              x3="-1.217526"
                              y3="-1.940538"
                              z3="-2.068028"/>
                        <atom elementType="H"
                              id="a36"
                              x3="-1.936911"
                              y3="-1.111048"
                              z3="-2.07907"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.796671"
                              y3="-2.041233"
                              z3="-3.08794"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.099925"
                              y3="1.908459"
                              z3="-1.990949"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.64987"
                              y3="2.113041"
                              z3="-2.982834"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.703241"
                              y3="2.80126"
                              z3="-1.725551"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.793499"
                              y3="1.064622"
                              z3="-2.107895"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.27329"
                              y3="3.591346"
                              z3="-0.318531"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.792239"
                              y3="2.74966"
                              z3="-0.823156"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.168271"
                              y3="3.138331"
                              z3="-1.790614"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.658942"
                              y3="2.471332"
                              z3="-0.20872"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0267,-.0983,.0795;-.1772,-1.7116,-1.0977;-2.0059,.0156,.3711;2.0926,-.03,-.0389;-.0778,1.6181,-1.0181;.0243,-1.2092,2.1956;-1.0339,-1.3928,2.4011;.6712,-2.0805,2.3352;.5906,.0557,2.4986;1.6716,.0531,2.6583;.0174,1.2996,2.3284;-1.0629,1.449,2.3427;.6356,2.1927,2.4452;-3.1457,-1.1745,1.7057;-2.8151,-1.1468,.6462;-2.2626,-2.074,.446;-3.7348,-1.1473,.0289;-3.6668,1.2388,-.0836;-2.7806,1.2118,.5806;-3.1663,1.2701,1.6199;-2.18,2.1106,.3951;4.0965,.5439,.2911;3.2065,.2049,.8495;3.5107,-.7028,1.408;2.994,.9928,1.5908;3.0262,.8135,-1.752;2.556,-.1301,-1.4114;3.3058,-.9364,-1.5327;1.7284,-.3461,-2.1014;1.5523,-2.6182,-.3161;.7315,-2.8322,-1.0141;1.1741,-3.0673,-2.0022;.2122,-3.745,-.6618;-1.7791,-2.8726,-1.8572;-1.2175,-1.9405,-2.068;-1.9369,-1.111,-2.0791;-.7967,-2.0412,-3.0879;-1.0999,1.9085,-1.9909;-.6499,2.113,-2.9828;-1.7032,2.8013,-1.7256;-1.7935,1.0646,-2.1079;.2733,3.5913,-.3185;.7922,2.7497,-.8232;1.1683,3.1383,-1.7906;1.6589,2.4713,-.2087;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.026944"
                              y3="-0.103014"
                              z3="0.078654"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.179878"
                              y3="-1.714143"
                              z3="-1.099621"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.005194"
                              y3="0.015983"
                              z3="0.370254"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.092913"
                              y3="-0.031647"
                              z3="-0.038349"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.07567"
                              y3="1.615859"
                              z3="-1.016564"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.024202"
                              y3="-1.206816"
                              z3="2.19321"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.033109"
                              y3="-1.391719"
                              z3="2.402435"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.672029"
                              y3="-2.077276"
                              z3="2.334248"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.589691"
                              y3="0.058641"
                              z3="2.500521"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.670447"
                              y3="0.056145"
                              z3="2.662056"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.015594"
                              y3="1.3018"
                              z3="2.334598"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.064965"
                              y3="1.449662"
                              z3="2.343383"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.632392"
                              y3="2.195641"
                              z3="2.453408"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.144518"
                              y3="-1.171895"
                              z3="1.707473"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.815206"
                              y3="-1.145462"
                              z3="0.647584"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.26396"
                              y3="-2.073442"
                              z3="0.447531"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.735686"
                              y3="-1.145581"
                              z3="0.03138"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.664283"
                              y3="1.240555"
                              z3="-0.087246"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.778983"
                              y3="1.213015"
                              z3="0.578132"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.166073"
                              y3="1.272214"
                              z3="1.616818"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.177226"
                              y3="2.111094"
                              z3="0.392937"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.087472"
                              y3="0.575523"
                              z3="0.28693"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.207567"
                              y3="0.212224"
                              z3="0.846346"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.532263"
                              y3="-0.697092"
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                              y3="-2.834562"
                              z3="-1.017475"/>
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                              y3="-2.87446"
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                              y3="-1.941786"
                              z3="-2.070011"/>
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                              x3="-1.940169"
                              y3="-1.112582"
                              z3="-2.079062"/>
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                              id="a37"
                              x3="-0.800064"
                              y3="-2.04051"
                              z3="-3.090296"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.096282"
                              y3="1.906613"
                              z3="-1.990797"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.644539"
                              y3="2.113383"
                              z3="-2.981472"/>
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                              x3="-1.70143"
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                              z3="-1.725311"/>
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                              x3="-1.788581"
                              y3="1.062113"
                              z3="-2.110637"/>
                        <atom elementType="H"
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                              x3="0.272781"
                              y3="3.587754"
                              z3="-0.311463"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.792769"
                              y3="2.747911"
                              z3="-0.818196"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.168693"
                              y3="3.139665"
                              z3="-1.784468"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.65962"
                              y3="2.469018"
                              z3="-0.204233"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0269,-.103,.0787;-.1799,-1.7141,-1.0996;-2.0052,.016,.3703;2.0929,-.0316,-.0383;-.0757,1.6159,-1.0166;.0242,-1.2068,2.1932;-1.0331,-1.3917,2.4024;.672,-2.0773,2.3342;.5897,.0586,2.5005;1.6704,.0561,2.6621;.0156,1.3018,2.3346;-1.065,1.4497,2.3434;.6324,2.1956,2.4534;-3.1445,-1.1719,1.7075;-2.8152,-1.1455,.6476;-2.264,-2.0734,.4475;-3.7357,-1.1456,.0314;-3.6643,1.2406,-.0872;-2.779,1.213,.5781;-3.1661,1.2722,1.6168;-2.1772,2.1111,.3929;4.0875,.5755,.2869;3.2076,.2122,.8463;3.5323,-.6971,1.3908;2.985,.986,1.5989;3.0227,.8069,-1.7557;2.556,-.1369,-1.4106;3.3088,-.941,-1.5281;1.7291,-.3591,-2.0995;1.549,-2.622,-.3176;.7293,-2.8346,-1.0175;1.1735,-3.0671,-2.0054;.2097,-3.7482,-.668;-1.7813,-2.8745,-1.8603;-1.2204,-1.9418,-2.07;-1.9402,-1.1126,-2.0791;-.8001,-2.0405,-3.0903;-1.0963,1.9066,-1.9908;-.6445,2.1134,-2.9815;-1.7014,2.7982,-1.7253;-1.7886,1.0621,-2.1106;.2728,3.5878,-.3115;.7928,2.7479,-.8182;1.1687,3.1397,-1.7845;1.6596,2.469,-.2042;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="0.027172"
                              y3="-0.107389"
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                              x3="-0.182417"
                              y3="-1.716551"
                              z3="-1.10135"/>
                        <atom elementType="N"
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                              x3="-2.004523"
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                              z3="0.369372"/>
                        <atom elementType="N"
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                              x3="2.093213"
                              y3="-0.03317"
                              z3="-0.03788"/>
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                              id="a5"
                              x3="-0.073627"
                              y3="1.613738"
                              z3="-1.015096"/>
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                              id="a6"
                              x3="0.023991"
                              y3="-1.204558"
                              z3="2.19098"/>
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                              x3="-1.032532"
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                              id="a8"
                              x3="0.67262"
                              y3="-2.074293"
                              z3="2.333359"/>
                        <atom elementType="C"
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                              x3="0.588639"
                              y3="0.0614"
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                              id="a10"
                              x3="1.669146"
                              y3="0.058936"
                              z3="2.665853"/>
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                              x3="0.013744"
                              y3="1.303866"
                              z3="2.34072"/>
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                              x3="-1.067019"
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                              x3="-3.736486"
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                              y3="0.978072"
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                              x3="0.727166"
                              y3="-2.836853"
                              z3="-1.020365"/>
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                              y3="-3.067159"
                              z3="-2.008124"/>
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                              y3="-1.114054"
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                              z3="-3.092435"/>
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                              y3="1.904851"
                              z3="-1.990735"/>
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                              y3="2.113687"
                              z3="-2.980228"/>
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                              x3="-1.699693"
                              y3="2.795225"
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                              z3="-0.304814"/>
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                              x3="0.793225"
                              y3="2.746296"
                              z3="-0.813449"/>
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                              x3="1.169144"
                              y3="3.140941"
                              z3="-1.77856"/>
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                              id="a45"
                              x3="1.660151"
                              y3="2.466919"
                              z3="-0.199818"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="2.093535"
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                        <atom elementType="N"
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                              y3="3.14213"
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                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
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                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
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                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
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                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
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                              id="a44"
                              x3="1.171535"
                              y3="3.144837"
                              z3="-1.758144"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.661296"
                              y3="2.460269"
                              z3="-0.183633"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0283,-.122,.0748;-.1911,-1.7252,-1.1062;-2.0018,.0183,.3658;2.0946,-.0381,-.0366;-.0665,1.6065,-1.0103;.0217,-1.1978,2.1838;-1.0324,-1.3879,2.4063;.6727,-2.0654,2.3306;.5837,.0691,2.5107;1.6633,.0656,2.6816;.0067,1.3098,2.3637;-1.0745,1.4521,2.3487;.6179,2.2059,2.4936;-3.1409,-1.159,1.7132;-2.8162,-1.1382,.6518;-2.2708,-2.07,.4529;-3.7392,-1.1361,.0395;-3.6521,1.2501,-.1039;-2.771,1.2194,.5668;-3.1642,1.2821,1.6029;-2.1636,2.114,.3837;4.0351,.7295,.2701;3.2138,.2443,.8283;3.6403,-.6682,1.2915;2.9504,.9362,1.6422;3.0062,.7798,-1.7719;2.5558,-.1649,-1.4077;3.3229,-.9578,-1.5094;1.7326,-.4149,-2.0914;1.5343,-2.6383,-.3206;.7192,-2.8455,-1.0276;1.1702,-3.0698,-2.0143;.1976,-3.7616,-.6883;-1.7912,-2.8823,-1.8716;-1.232,-1.948,-2.0773;-1.9524,-1.1193,-2.0798;-.8129,-2.0402,-3.0987;-1.0801,1.8985,-1.9913;-.6206,2.1142,-2.9765;-1.6932,2.7849,-1.7263;-1.7667,1.0511,-2.1234;.2694,3.5731,-.2831;.7947,2.7408,-.7972;1.1715,3.1448,-1.7581;1.6613,2.4603,-.1836;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.028707"
                              y3="-0.125019"
                              z3="0.074134"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.192978"
                              y3="-1.727183"
                              z3="-1.106971"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.000982"
                              y3="0.019002"
                              z3="0.364936"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.094984"
                              y3="-0.038842"
                              z3="-0.036578"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.064963"
                              y3="1.604818"
                              z3="-1.009486"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.020739"
                              y3="-1.197162"
                              z3="2.182289"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.032946"
                              y3="-1.387827"
                              z3="2.406443"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.671906"
                              y3="-2.064495"
                              z3="2.329874"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.582402"
                              y3="0.069554"
                              z3="2.512776"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.661941"
                              y3="0.065111"
                              z3="2.685725"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.005358"
                              y3="1.310215"
                              z3="2.368919"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.075789"
                              y3="1.452097"
                              z3="2.350012"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.61598"
                              y3="2.206384"
                              z3="2.501214"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.140593"
                              y3="-1.156294"
                              z3="1.71375"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.816506"
                              y3="-1.136518"
                              z3="0.652121"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.2724"
                              y3="-2.069089"
                              z3="0.453447"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.73986"
                              y3="-1.13369"
                              z3="0.040275"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.649467"
                              y3="1.252474"
                              z3="-0.106637"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.769058"
                              y3="1.220886"
                              z3="0.565041"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.163402"
                              y3="1.284183"
                              z3="1.600688"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.160463"
                              y3="2.114743"
                              z3="0.382516"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.022426"
                              y3="0.761398"
                              z3="0.268509"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.214707"
                              y3="0.250998"
                              z3="0.824517"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.661218"
                              y3="-0.660607"
                              z3="1.269457"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.944281"
                              y3="0.923718"
                              z3="1.651435"/>
                        <atom elementType="H"
                              id="a26"
                              x3="3.003201"
                              y3="0.775586"
                              z3="-1.774881"/>
                        <atom elementType="C"
                              id="a27"
                              x3="2.556253"
                              y3="-0.169454"
                              z3="-1.407317"/>
                        <atom elementType="H"
                              id="a28"
                              x3="3.326453"
                              y3="-0.959815"
                              z3="-1.505808"/>
                        <atom elementType="H"
                              id="a29"
                              x3="1.734084"
                              y3="-0.425047"
                              z3="-2.090151"/>
                        <atom elementType="H"
                              id="a30"
                              x3="1.531539"
                              y3="-2.641325"
                              z3="-0.320352"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.71714"
                              y3="-2.847719"
                              z3="-1.028412"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.169279"
                              y3="-3.071138"
                              z3="-2.014799"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.195007"
                              y3="-3.763916"
                              z3="-0.690432"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.793085"
                              y3="-2.883523"
                              z3="-1.873011"/>
                        <atom elementType="C"
                              id="a35"
                              x3="-1.233881"
                              y3="-1.949109"
                              z3="-2.078276"/>
                        <atom elementType="H"
                              id="a36"
                              x3="-1.954038"
                              y3="-1.120296"
                              z3="-2.080078"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.814801"
                              y3="-2.040779"
                              z3="-3.099678"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.077458"
                              y3="1.897053"
                              z3="-1.991571"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.616747"
                              y3="2.113936"
                              z3="-2.975976"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.69176"
                              y3="2.78265"
                              z3="-1.726731"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.763263"
                              y3="1.049264"
                              z3="-2.125513"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.268936"
                              y3="3.570771"
                              z3="-0.279283"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.79515"
                              y3="2.739533"
                              z3="-0.794238"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.172297"
                              y3="3.145211"
                              z3="-1.754333"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.661522"
                              y3="2.45888"
                              z3="-0.180428"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0287,-.125,.0741;-.193,-1.7272,-1.107;-2.001,.019,.3649;2.095,-.0388,-.0366;-.065,1.6048,-1.0095;.0207,-1.1972,2.1823;-1.0329,-1.3878,2.4064;.6719,-2.0645,2.3299;.5824,.0696,2.5128;1.6619,.0651,2.6857;.0054,1.3102,2.3689;-1.0758,1.4521,2.35;.616,2.2064,2.5012;-3.1406,-1.1563,1.7138;-2.8165,-1.1365,.6521;-2.2724,-2.0691,.4534;-3.7399,-1.1337,.0403;-3.6495,1.2525,-.1066;-2.7691,1.2209,.565;-3.1634,1.2842,1.6007;-2.1605,2.1147,.3825;4.0224,.7614,.2685;3.2147,.251,.8245;3.6612,-.6606,1.2695;2.9443,.9237,1.6514;3.0032,.7756,-1.7749;2.5563,-.1695,-1.4073;3.3265,-.9598,-1.5058;1.7341,-.425,-2.0902;1.5315,-2.6413,-.3204;.7171,-2.8477,-1.0284;1.1693,-3.0711,-2.0148;.195,-3.7639,-.6904;-1.7931,-2.8835,-1.873;-1.2339,-1.9491,-2.0783;-1.954,-1.1203,-2.0801;-.8148,-2.0408,-3.0997;-1.0775,1.8971,-1.9916;-.6167,2.1139,-2.976;-1.6918,2.7826,-1.7267;-1.7633,1.0493,-2.1255;.2689,3.5708,-.2793;.7952,2.7395,-.7942;1.1723,3.1452,-1.7543;1.6615,2.4589,-.1804;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.029161"
                              y3="-0.127775"
                              z3="0.073615"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.194686"
                              y3="-1.729045"
                              z3="-1.107507"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.000175"
                              y3="0.019774"
                              z3="0.364129"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.095402"
                              y3="-0.039497"
                              z3="-0.036519"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.063559"
                              y3="1.603211"
                              z3="-1.008843"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.019489"
                              y3="-1.196915"
                              z3="2.181023"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.033914"
                              y3="-1.387949"
                              z3="2.406413"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.670677"
                              y3="-2.064169"
                              z3="2.32929"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.581095"
                              y3="0.069396"
                              z3="2.51486"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.660559"
                              y3="0.063817"
                              z3="2.689806"/>
                        <atom elementType="C"
                              id="a11"
                              x3="0.004281"
                              y3="1.310235"
                              z3="2.373833"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.076807"
                              y3="1.451972"
                              z3="2.351361"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.614543"
                              y3="2.206298"
                              z3="2.508472"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.140545"
                              y3="-1.153657"
                              z3="1.714003"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.816909"
                              y3="-1.134722"
                              z3="0.652224"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.274087"
                              y3="-2.068081"
                              z3="0.453692"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.740494"
                              y3="-1.131038"
                              z3="0.040739"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.646832"
                              y3="1.255076"
                              z3="-0.109061"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.767098"
                              y3="1.222498"
                              z3="0.563453"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.162413"
                              y3="1.286229"
                              z3="1.598694"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.157259"
                              y3="2.115606"
                              z3="0.381546"/>
                        <atom elementType="H"
                              id="a22"
                              x3="4.009075"
                              y3="0.793435"
                              z3="0.267514"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.215519"
                              y3="0.257777"
                              z3="0.820695"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.682026"
                              y3="-0.652293"
                              z3="1.246772"/>
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                              y3="-2.644234"
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                              x3="0.715124"
                              y3="-2.849891"
                              z3="-1.028779"/>
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                              y3="-3.072776"
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                              x3="-1.794911"
                              y3="-2.884527"
                              z3="-1.874196"/>
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                              x3="-1.235497"
                              y3="-1.950181"
                              z3="-2.079075"/>
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                              x3="-1.955386"
                              y3="-1.121142"
                              z3="-2.080418"/>
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                              id="a37"
                              x3="-0.816381"
                              y3="-2.041457"
                              z3="-3.100487"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.075086"
                              y3="1.895639"
                              z3="-1.99185"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.613312"
                              y3="2.113541"
                              z3="-2.975536"/>
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                              id="a40"
                              x3="-1.690338"
                              y3="2.780644"
                              z3="-1.727193"/>
                        <atom elementType="H"
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                              x3="-1.760218"
                              y3="1.04754"
                              z3="-2.127332"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.26853"
                              y3="3.568619"
                              z3="-0.276211"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.795598"
                              y3="2.73824"
                              z3="-0.791742"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.173133"
                              y3="3.145271"
                              z3="-1.751118"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.661734"
                              y3="2.457593"
                              z3="-0.177608"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0292,-.1278,.0736;-.1947,-1.729,-1.1075;-2.0002,.0198,.3641;2.0954,-.0395,-.0365;-.0636,1.6032,-1.0088;.0195,-1.1969,2.181;-1.0339,-1.3879,2.4064;.6707,-2.0642,2.3293;.5811,.0694,2.5149;1.6606,.0638,2.6898;.0043,1.3102,2.3738;-1.0768,1.452,2.3514;.6145,2.2063,2.5085;-3.1405,-1.1537,1.714;-2.8169,-1.1347,.6522;-2.2741,-2.0681,.4537;-3.7405,-1.131,.0407;-3.6468,1.2551,-.1091;-2.7671,1.2225,.5635;-3.1624,1.2862,1.5987;-2.1573,2.1156,.3815;4.0091,.7934,.2675;3.2155,.2578,.8207;3.682,-.6523,1.2468;2.9386,.9106,1.6607;3.0002,.7718,-1.7778;2.5568,-.1736,-1.4069;3.3302,-.9613,-1.5022;1.7357,-.4349,-2.0889;1.5289,-2.6442,-.3197;.7151,-2.8499,-1.0288;1.1683,-3.0728,-2.0148;.1923,-3.7661,-.6919;-1.7949,-2.8845,-1.8742;-1.2355,-1.9502,-2.0791;-1.9554,-1.1211,-2.0804;-.8164,-2.0415,-3.1005;-1.0751,1.8956,-1.9918;-.6133,2.1135,-2.9755;-1.6903,2.7806,-1.7272;-1.7602,1.0475,-2.1273;.2685,3.5686,-.2762;.7956,2.7382,-.7917;1.1731,3.1453,-1.7511;1.6617,2.4576,-.1776;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="0.0295"
                              y3="-0.129861"
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                              x3="-0.196183"
                              y3="-1.730637"
                              z3="-1.107289"/>
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                              id="a3"
                              x3="-1.999593"
                              y3="0.020328"
                              z3="0.363446"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.095732"
                              y3="-0.040134"
                              z3="-0.03667"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.06211"
                              y3="1.601983"
                              z3="-1.007977"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.018252"
                              y3="-1.196508"
                              z3="2.18052"/>
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                              id="a7"
                              x3="-1.034992"
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                              id="a8"
                              x3="0.669469"
                              y3="-2.063637"
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                              x3="0.579668"
                              y3="0.069461"
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                        <atom elementType="H"
                              id="a10"
                              x3="1.659197"
                              y3="0.062791"
                              z3="2.693373"/>
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                              id="a11"
                              x3="0.002933"
                              y3="1.310514"
                              z3="2.377586"/>
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                              id="a12"
                              x3="-1.078113"
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                              x3="-3.740991"
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                              x3="-3.644555"
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                              y3="0.770213"
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                              y3="-2.646374"
                              z3="-0.318971"/>
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                              x3="0.713524"
                              y3="-2.851628"
                              z3="-1.028536"/>
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                              y3="-3.074163"
                              z3="-2.014399"/>
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                              x3="-0.817991"
                              y3="-2.042555"
                              z3="-3.100327"/>
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                              x3="-1.072256"
                              y3="1.894255"
                              z3="-1.992417"/>
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                              x3="-0.609046"
                              y3="2.112809"
                              z3="-2.975289"/>
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                              y3="2.778773"
                              z3="-1.728477"/>
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                              y3="1.045803"
                              z3="-2.129395"/>
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                              y3="3.567056"
                              z3="-0.273427"/>
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                              id="a43"
                              x3="0.796096"
                              y3="2.737322"
                              z3="-0.788997"/>
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                              id="a44"
                              x3="1.174527"
                              y3="3.145334"
                              z3="-1.747607"/>
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                              id="a45"
                              x3="1.661671"
                              y3="2.456769"
                              z3="-0.174026"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0295,-.1299,.0736;-.1962,-1.7306,-1.1073;-1.9996,.0203,.3634;2.0957,-.0401,-.0367;-.0621,1.602,-1.008;.0183,-1.1965,2.1805;-1.035,-1.3878,2.4066;.6695,-2.0636,2.3296;.5797,.0695,2.5168;1.6592,.0628,2.6934;.0029,1.3105,2.3776;-1.0781,1.452,2.3523;.6129,2.2065,2.5138;-3.1411,-1.1512,1.7141;-2.8174,-1.1333,.6523;-2.2756,-2.0673,.4543;-3.741,-1.129,.0408;-3.6446,1.257,-.112;-2.7656,1.2238,.5615;-3.1621,1.2882,1.5963;-2.1546,2.1162,.3802;3.9958,.8233,.2675;3.2167,.2623,.8166;3.702,-.6466,1.2218;2.9351,.8933,1.671;2.9969,.7702,-1.78;2.5567,-.176,-1.4071;3.3331,-.961,-1.5005;1.7366,-.4416,-2.0884;1.5269,-2.6464,-.319;.7135,-2.8516,-1.0285;1.1672,-3.0742,-2.0144;.1904,-3.7678,-.6922;-1.7965,-2.8857,-1.8741;-1.237,-1.9514,-2.0789;-1.9568,-1.1222,-2.08;-.818,-2.0426,-3.1003;-1.0723,1.8943,-1.9924;-.609,2.1128,-2.9753;-1.6885,2.7788,-1.7285;-1.7567,1.0458,-2.1294;.268,3.5671,-.2734;.7961,2.7373,-.789;1.1745,3.1453,-1.7476;1.6617,2.4568,-.174;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              y3="-0.131359"
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                              x3="-1.999021"
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                              z3="0.36283"/>
                        <atom elementType="N"
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                              x3="2.096172"
                              y3="-0.040638"
                              z3="-0.036759"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.060881"
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                              y3="3.145295"
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                              y3="2.456167"
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                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
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                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
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                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              y3="2.73598"
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                        <bond atomRefs2="a1 a2" order="S"/>
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                        <bond atomRefs2="a3 a15" order="S"/>
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                        <bond atomRefs2="a6 a9" order="S"/>
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                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
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                        <bond atomRefs2="a18 a19" order="S"/>
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                        <bond atomRefs2="a19 a20" order="S"/>
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                        <bond atomRefs2="a23 a24" order="S"/>
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                        <bond atomRefs2="a27 a28" order="S"/>
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                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
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                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
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                              z3="-0.783222"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.179926"
                              y3="3.143763"
                              z3="-1.740293"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.661465"
                              y3="2.455842"
                              z3="-0.164617"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.031,-.1327,.0765;-.1985,-1.7341,-1.1023;-1.998,.0228,.3615;2.0976,-.0419,-.0366;-.0583,1.5993,-1.0056;.01,-1.1983,2.1832;-1.044,-1.3883,2.4067;.6597,-2.0661,2.3349;.5721,.0659,2.5227;1.6519,.0547,2.7044;-.0018,1.309,2.3838;-1.0824,1.4526,2.3537;.6095,2.2036,2.5228;-3.1461,-1.1436,1.7108;-2.8199,-1.1282,.6497;-2.2806,-2.0642,.4543;-3.742,-1.1219,.036;-3.638,1.2634,-.121;-2.7618,1.2283,.5558;-3.1622,1.2941,1.589;-2.1476,2.1188,.3766;3.9428,.9316,.2759;3.2242,.2728,.801;3.7813,-.6281,1.1136;2.9341,.8083,1.7133;2.9843,.7701,-1.7858;2.5551,-.1793,-1.4082;3.3408,-.9555,-1.4985;1.7369,-.4576,-2.0867;1.5223,-2.6515,-.3107;.7096,-2.8563,-1.0212;1.1645,-3.0802,-2.0062;.1847,-3.7714,-.6849;-1.7996,-2.8877,-1.8698;-1.2386,-1.9544,-2.0749;-1.957,-1.1242,-2.0776;-.8184,-2.0472,-3.0957;-1.0647,1.8908,-1.9939;-.5976,2.1094,-2.975;-1.6827,2.775,-1.7328;-1.748,1.0419,-2.1336;.2672,3.5646,-.2697;.7981,2.7353,-.7832;1.1799,3.1438,-1.7403;1.6615,2.4558,-.1646;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.031296"
                              y3="-0.132046"
                              z3="0.078159"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.198177"
                              y3="-1.734241"
                              z3="-1.099933"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-1.997969"
                              y3="0.023419"
                              z3="0.36126"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.098027"
                              y3="-0.042213"
                              z3="-0.036378"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.05781"
                              y3="1.59916"
                              z3="-1.005028"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.007125"
                              y3="-1.199437"
                              z3="2.185227"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.047431"
                              y3="-1.388544"
                              z3="2.406847"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.656077"
                              y3="-2.067662"
                              z3="2.337463"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.56983"
                              y3="0.064341"
                              z3="2.523695"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.649656"
                              y3="0.052095"
                              z3="2.705796"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-0.002897"
                              y3="1.308193"
                              z3="2.382869"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.083384"
                              y3="1.452849"
                              z3="2.353441"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.609411"
                              y3="2.202158"
                              z3="2.521457"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.148325"
                              y3="-1.142286"
                              z3="1.708988"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.820772"
                              y3="-1.127199"
                              z3="0.648378"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.281632"
                              y3="-2.063484"
                              z3="0.45376"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.741994"
                              y3="-1.120514"
                              z3="0.033411"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.637173"
                              y3="1.264458"
                              z3="-0.122886"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.761529"
                              y3="1.22919"
                              z3="0.554762"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.16286"
                              y3="1.295177"
                              z3="1.587497"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.146868"
                              y3="2.119498"
                              z3="0.376046"/>
                        <atom elementType="H"
                              id="a22"
                              x3="3.930224"
                              y3="0.954538"
                              z3="0.280209"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.227027"
                              y3="0.272851"
                              z3="0.797294"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.800637"
                              y3="-0.625379"
                              z3="1.084274"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.937785"
                              y3="0.782534"
                              z3="1.72399"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.980874"
                              y3="0.772506"
                              z3="-1.786273"/>
                        <atom elementType="C"
                              id="a27"
                              x3="2.553785"
                              y3="-0.178001"
                              z3="-1.408797"/>
                        <atom elementType="H"
                              id="a28"
                              x3="3.341214"
                              y3="-0.952368"
                              z3="-1.500024"/>
                        <atom elementType="H"
                              id="a29"
                              x3="1.735493"
                              y3="-0.457684"
                              z3="-2.086494"/>
                        <atom elementType="H"
                              id="a30"
                              x3="1.522158"
                              y3="-2.65173"
                              z3="-0.307274"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.709395"
                              y3="-2.856801"
                              z3="-1.01765"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.164289"
                              y3="-3.081732"
                              z3="-2.002415"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.184038"
                              y3="-3.771404"
                              z3="-0.680612"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.799336"
                              y3="-2.887665"
                              z3="-1.867606"/>
                        <atom elementType="C"
                              id="a35"
                              x3="-1.237688"
                              y3="-1.954798"
                              z3="-2.072957"/>
                        <atom elementType="H"
                              id="a36"
                              x3="-1.955714"
                              y3="-1.124192"
                              z3="-2.076913"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.816845"
                              y3="-2.048596"
                              z3="-3.093429"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.063601"
                              y3="1.89045"
                              z3="-1.994121"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.59586"
                              y3="2.108304"
                              z3="-2.975006"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.681335"
                              y3="2.775064"
                              z3="-1.733904"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.74708"
                              y3="1.041686"
                              z3="-2.133701"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.267415"
                              y3="3.565023"
                              z3="-0.270596"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.798704"
                              y3="2.735202"
                              z3="-0.782818"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.181558"
                              y3="3.142761"
                              z3="-1.73984"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.661334"
                              y3="2.456136"
                              z3="-0.163028"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0313,-.132,.0782;-.1982,-1.7342,-1.0999;-1.998,.0234,.3613;2.098,-.0422,-.0364;-.0578,1.5992,-1.005;.0071,-1.1994,2.1852;-1.0474,-1.3885,2.4068;.6561,-2.0677,2.3375;.5698,.0643,2.5237;1.6497,.0521,2.7058;-.0029,1.3082,2.3829;-1.0834,1.4528,2.3534;.6094,2.2022,2.5215;-3.1483,-1.1423,1.709;-2.8208,-1.1272,.6484;-2.2816,-2.0635,.4538;-3.742,-1.1205,.0334;-3.6372,1.2645,-.1229;-2.7615,1.2292,.5548;-3.1629,1.2952,1.5875;-2.1469,2.1195,.376;3.9302,.9545,.2802;3.227,.2729,.7973;3.8006,-.6254,1.0843;2.9378,.7825,1.724;2.9809,.7725,-1.7863;2.5538,-.178,-1.4088;3.3412,-.9524,-1.5;1.7355,-.4577,-2.0865;1.5222,-2.6517,-.3073;.7094,-2.8568,-1.0176;1.1643,-3.0817,-2.0024;.184,-3.7714,-.6806;-1.7993,-2.8877,-1.8676;-1.2377,-1.9548,-2.073;-1.9557,-1.1242,-2.0769;-.8168,-2.0486,-3.0934;-1.0636,1.8904,-1.9941;-.5959,2.1083,-2.975;-1.6813,2.7751,-1.7339;-1.7471,1.0417,-2.1337;.2674,3.565,-.2706;.7987,2.7352,-.7828;1.1816,3.1428,-1.7398;1.6613,2.4561,-.163;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.031518"
                              y3="-0.130883"
                              z3="0.080087"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.197451"
                              y3="-1.734161"
                              z3="-1.097126"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-1.99805"
                              y3="0.024016"
                              z3="0.361116"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.098507"
                              y3="-0.042525"
                              z3="-0.036039"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.057522"
                              y3="1.599264"
                              z3="-1.004543"/>
                        <atom elementType="C"
                              id="a6"
                              x3="0.004039"
                              y3="-1.200765"
                              z3="2.18773"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.051151"
                              y3="-1.38878"
                              z3="2.40702"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.652149"
                              y3="-2.06948"
                              z3="2.340446"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.567376"
                              y3="0.062627"
                              z3="2.524438"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.647248"
                              y3="0.0495"
                              z3="2.706738"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-0.003995"
                              y3="1.307248"
                              z3="2.381095"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.084339"
                              y3="1.453186"
                              z3="2.352951"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.609489"
                              y3="2.200523"
                              z3="2.51877"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.150912"
                              y3="-1.141312"
                              z3="1.706882"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.821658"
                              y3="-1.126391"
                              z3="0.646803"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.28247"
                              y3="-2.062812"
                              z3="0.453082"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.7419"
                              y3="-1.119395"
                              z3="0.030382"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.636635"
                              y3="1.265302"
                              z3="-0.124569"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.761596"
                              y3="1.229938"
                              z3="0.553843"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.163815"
                              y3="1.295979"
                              z3="1.586225"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.146615"
                              y3="2.12013"
                              z3="0.375692"/>
                        <atom elementType="H"
                              id="a22"
                              x3="3.918134"
                              y3="0.975814"
                              z3="0.285393"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.230121"
                              y3="0.271918"
                              z3="0.793684"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.8197"
                              y3="-0.623335"
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                              y3="-0.456368"
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                              y3="-2.651653"
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                              y3="-2.85712"
                              z3="-1.013486"/>
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                              y3="-3.0833"
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                              y3="-2.887392"
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                              x3="-1.953834"
                              y3="-1.124008"
                              z3="-2.076212"/>
                        <atom elementType="H"
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                              x3="-0.814599"
                              y3="-2.050024"
                              z3="-3.090779"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.062818"
                              y3="1.890338"
                              z3="-1.994189"/>
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                              id="a39"
                              x3="-0.594589"
                              y3="2.107116"
                              z3="-2.975078"/>
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                              x3="-1.680036"
                              y3="2.77557"
                              z3="-1.734873"/>
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                              y3="1.041865"
                              z3="-2.133303"/>
                        <atom elementType="H"
                              id="a42"
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                              y3="3.565765"
                              z3="-0.272096"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.799379"
                              y3="2.735183"
                              z3="-0.782862"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.183271"
                              y3="3.141504"
                              z3="-1.739982"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.661294"
                              y3="2.456519"
                              z3="-0.161891"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0315,-.1309,.0801;-.1975,-1.7342,-1.0971;-1.9981,.024,.3611;2.0985,-.0425,-.036;-.0575,1.5993,-1.0045;.004,-1.2008,2.1877;-1.0512,-1.3888,2.407;.6521,-2.0695,2.3404;.5674,.0626,2.5244;1.6472,.0495,2.7067;-.004,1.3072,2.3811;-1.0843,1.4532,2.353;.6095,2.2005,2.5188;-3.1509,-1.1413,1.7069;-2.8217,-1.1264,.6468;-2.2825,-2.0628,.4531;-3.7419,-1.1194,.0304;-3.6366,1.2653,-.1246;-2.7616,1.2299,.5538;-3.1638,1.296,1.5862;-2.1466,2.1201,.3757;3.9181,.9758,.2854;3.2301,.2719,.7937;3.8197,-.6233,1.0544;2.9429,.7553,1.7345;2.9774,.7757,-1.7863;2.5522,-.176,-1.4094;3.341,-.9488,-1.5022;1.7335,-.4564,-2.0863;1.5223,-2.6517,-.3033;.7095,-2.8571,-1.0135;1.1643,-3.0833,-1.998;.1836,-3.7711,-.6756;-1.7987,-2.8874,-1.8652;-1.2363,-1.955,-2.0708;-1.9538,-1.124,-2.0762;-.8146,-2.05,-3.0908;-1.0628,1.8903,-1.9942;-.5946,2.1071,-2.9751;-1.68,2.7756,-1.7349;-1.7467,1.0419,-2.1333;.2679,3.5658,-.2721;.7994,2.7352,-.7829;1.1833,3.1415,-1.74;1.6613,2.4565,-.1619;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="0.0317"
                              y3="-0.129269"
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                              x3="-0.196403"
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                        <atom elementType="N"
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                              x3="-1.998244"
                              y3="0.024593"
                              z3="0.361059"/>
                        <atom elementType="N"
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                              x3="2.098995"
                              y3="-0.042806"
                              z3="-0.035587"/>
                        <atom elementType="N"
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                              x3="-0.057412"
                              y3="1.599546"
                              z3="-1.004129"/>
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                              x3="0.000764"
                              y3="-1.202259"
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                              x3="-1.05515"
                              y3="-1.38904"
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                              x3="0.647954"
                              y3="-2.071519"
                              z3="2.343797"/>
                        <atom elementType="C"
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                              x3="0.564797"
                              y3="0.060791"
                              z3="2.525008"/>
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                              id="a10"
                              x3="1.644688"
                              y3="0.046924"
                              z3="2.707281"/>
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                              x3="-0.005086"
                              y3="1.306201"
                              z3="2.37854"/>
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                              x3="-1.085275"
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                              y3="0.726752"
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                              y3="-2.65128"
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                              x3="0.709787"
                              y3="-2.857236"
                              z3="-1.008825"/>
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                              id="a32"
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                              y3="-3.084865"
                              z3="-1.993064"/>
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                              x3="0.183465"
                              y3="-3.770618"
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                              y3="-1.123608"
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                              y3="-2.051444"
                              z3="-3.087837"/>
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                              x3="-1.062381"
                              y3="1.890439"
                              z3="-1.994151"/>
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                              x3="-0.593848"
                              y3="2.105856"
                              z3="-2.975191"/>
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                              x3="-1.678796"
                              y3="2.776484"
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                              y3="3.566796"
                              z3="-0.274226"/>
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                              x3="0.800146"
                              y3="2.735234"
                              z3="-0.783384"/>
                        <atom elementType="H"
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                              x3="1.185027"
                              y3="3.139992"
                              z3="-1.740755"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.661373"
                              y3="2.456962"
                              z3="-0.161275"/>
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                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              y3="-0.042258"
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                        <atom elementType="N"
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                              y3="-2.074723"
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                              y3="0.041749"
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                              x3="-0.005391"
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                              y3="2.457379"
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                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
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                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
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                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
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                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              y3="2.736397"
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                        <bond atomRefs2="a3 a15" order="S"/>
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                        <bond atomRefs2="a9 a11" order="S"/>
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                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
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                        <bond atomRefs2="a18 a19" order="S"/>
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                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
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                        <bond atomRefs2="a26 a27" order="S"/>
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                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
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                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
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                              z3="-0.790137"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.190967"
                              y3="3.133115"
                              z3="-1.749681"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.661074"
                              y3="2.461322"
                              z3="-0.163361"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0319,-.1185,.0921;-.1897,-1.7303,-1.0793;-1.9999,.027,.3615;2.1006,-.0424,-.0326;-.0588,1.6026,-1.0039;-.0128,-1.2092,2.205;-1.0722,-1.3901,2.4078;.6301,-2.0812,2.3586;.5547,.0525,2.5257;1.6346,.0364,2.7053;-.0087,1.3011,2.363;-1.0881,1.4553,2.3491;.6126,2.1901,2.4924;-3.1667,-1.1392,1.6934;-2.8264,-1.1238,.6369;-2.2848,-2.0597,.4483;-3.7402,-1.1162,.0111;-3.6378,1.267,-.1299;-2.765,1.2325,.5514;-3.1705,1.2981,1.5825;-2.1502,2.1233,.3754;3.8671,1.0551,.3289;3.2483,.2529,.78;3.9049,-.6243,.9021;2.9829,.5984,1.7846;2.9636,.8018,-1.779;2.5407,-.155,-1.4127;3.3294,-.9259,-1.5217;1.7165,-.4264,-2.0862;1.5282,-2.6453,-.2798;.7141,-2.8548,-.9871;1.1671,-3.0898,-1.9704;.1867,-3.7654,-.6417;-1.7912,-2.8844,-1.848;-1.2245,-1.9551,-2.0562;-1.9396,-1.122,-2.0721;-.7975,-2.0585,-3.0733;-1.0633,1.8913,-1.9951;-.5944,2.099,-2.9776;-1.6754,2.7816,-1.7413;-1.7512,1.0452,-2.1276;.2719,3.5742,-.2892;.8024,2.7373,-.7901;1.191,3.1331,-1.7497;1.6611,2.4613,-.1634;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.031954"
                              y3="-0.113738"
                              z3="0.095255"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.186524"
                              y3="-1.728062"
                              z3="-1.074731"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.000726"
                              y3="0.027311"
                              z3="0.361689"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.101216"
                              y3="-0.042294"
                              z3="-0.031729"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.060189"
                              y3="1.604604"
                              z3="-1.003957"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.01663"
                              y3="-1.210281"
                              z3="2.209927"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.077085"
                              y3="-1.389581"
                              z3="2.407721"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.625138"
                              y3="-2.08296"
                              z3="2.363832"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.551416"
                              y3="0.0515"
                              z3="2.526018"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.630929"
                              y3="0.035935"
                              z3="2.705635"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-0.010011"
                              y3="1.300599"
                              z3="2.35716"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.089246"
                              y3="1.456804"
                              z3="2.347148"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.612972"
                              y3="2.188664"
                              z3="2.484658"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.170254"
                              y3="-1.140597"
                              z3="1.689578"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.826813"
                              y3="-1.124393"
                              z3="0.634074"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.2836"
                              y3="-2.059549"
                              z3="0.446691"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.738942"
                              y3="-1.117451"
                              z3="0.00574"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.63991"
                              y3="1.265574"
                              z3="-0.130087"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.767296"
                              y3="1.232044"
                              z3="0.551441"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.173061"
                              y3="1.296906"
                              z3="1.582495"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.153602"
                              y3="2.123648"
                              z3="0.375737"/>
                        <atom elementType="H"
                              id="a22"
                              x3="3.8624"
                              y3="1.06073"
                              z3="0.339003"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.253645"
                              y3="0.243752"
                              z3="0.777549"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.92014"
                              y3="-0.63156"
                              z3="0.871219"/>
                        <atom elementType="H"
                              id="a25"
                              x3="2.994389"
                              y3="0.562999"
                              z3="1.792758"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.962598"
                              y3="0.807232"
                              z3="-1.776516"/>
                        <atom elementType="C"
                              id="a27"
                              x3="2.53725"
                              y3="-0.14976"
                              z3="-1.413606"/>
                        <atom elementType="H"
                              id="a28"
                              x3="3.323135"
                              y3="-0.922647"
                              z3="-1.527941"/>
                        <atom elementType="H"
                              id="a29"
                              x3="1.710417"
                              y3="-0.415359"
                              z3="-2.086177"/>
                        <atom elementType="H"
                              id="a30"
                              x3="1.530757"
                              y3="-2.642163"
                              z3="-0.273354"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.716413"
                              y3="-2.85293"
                              z3="-0.979986"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.16916"
                              y3="-3.090269"
                              z3="-1.962916"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.188662"
                              y3="-3.762599"
                              z3="-0.632739"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.787664"
                              y3="-2.88263"
                              z3="-1.844349"/>
                        <atom elementType="C"
                              id="a35"
                              x3="-1.219914"
                              y3="-1.953984"
                              z3="-2.052939"/>
                        <atom elementType="H"
                              id="a36"
                              x3="-1.934441"
                              y3="-1.120564"
                              z3="-2.07175"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.791076"
                              y3="-2.059407"
                              z3="-3.069036"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.065259"
                              y3="1.892824"
                              z3="-1.994683"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.597109"
                              y3="2.09794"
                              z3="-2.978084"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.675697"
                              y3="2.784479"
                              z3="-1.741773"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.754493"
                              y3="1.047394"
                              z3="-2.124817"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.272909"
                              y3="3.577535"
                              z3="-0.294422"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.802621"
                              y3="2.7388"
                              z3="-0.793168"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.191556"
                              y3="3.131662"
                              z3="-1.753756"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.660936"
                              y3="2.463463"
                              z3="-0.16567"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.032,-.1137,.0953;-.1865,-1.7281,-1.0747;-2.0007,.0273,.3617;2.1012,-.0423,-.0317;-.0602,1.6046,-1.004;-.0166,-1.2103,2.2099;-1.0771,-1.3896,2.4077;.6251,-2.083,2.3638;.5514,.0515,2.526;1.6309,.0359,2.7056;-.01,1.3006,2.3572;-1.0892,1.4568,2.3471;.613,2.1887,2.4847;-3.1703,-1.1406,1.6896;-2.8268,-1.1244,.6341;-2.2836,-2.0595,.4467;-3.7389,-1.1175,.0057;-3.6399,1.2656,-.1301;-2.7673,1.232,.5514;-3.1731,1.2969,1.5825;-2.1536,2.1236,.3757;3.8624,1.0607,.339;3.2536,.2438,.7775;3.9201,-.6316,.8712;2.9944,.563,1.7928;2.9626,.8072,-1.7765;2.5372,-.1498,-1.4136;3.3231,-.9226,-1.5279;1.7104,-.4154,-2.0862;1.5308,-2.6422,-.2734;.7164,-2.8529,-.98;1.1692,-3.0903,-1.9629;.1887,-3.7626,-.6327;-1.7877,-2.8826,-1.8443;-1.2199,-1.954,-2.0529;-1.9344,-1.1206,-2.0718;-.7911,-2.0594,-3.069;-1.0653,1.8928,-1.9947;-.5971,2.0979,-2.9781;-1.6757,2.7845,-1.7418;-1.7545,1.0474,-2.1248;.2729,3.5775,-.2944;.8026,2.7388,-.7932;1.1916,3.1317,-1.7538;1.6609,2.4635,-.1657;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.032038"
                              y3="-0.10995"
                              z3="0.097975"/>
                        <atom elementType="N"
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                              x3="-0.183911"
                              y3="-1.726459"
                              z3="-1.070638"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.001318"
                              y3="0.027552"
                              z3="0.361819"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.101817"
                              y3="-0.042868"
                              z3="-0.031284"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.061236"
                              y3="1.60609"
                              z3="-1.003881"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.020087"
                              y3="-1.210963"
                              z3="2.214542"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.081543"
                              y3="-1.388803"
                              z3="2.407715"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.620538"
                              y3="-2.084293"
                              z3="2.368975"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.548454"
                              y3="0.050837"
                              z3="2.526746"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.627544"
                              y3="0.035591"
                              z3="2.706833"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-0.011141"
                              y3="1.300385"
                              z3="2.352286"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.090127"
                              y3="1.458474"
                              z3="2.345197"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.613426"
                              y3="2.187521"
                              z3="2.478373"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.173522"
                              y3="-1.141571"
                              z3="1.686072"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.827238"
                              y3="-1.124853"
                              z3="0.631511"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.282652"
                              y3="-2.059417"
                              z3="0.445395"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.737736"
                              y3="-1.118446"
                              z3="0.000812"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.641445"
                              y3="1.264413"
                              z3="-0.130505"/>
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                              id="a19"
                              x3="-2.769055"
                              y3="1.231644"
                              z3="0.551332"/>
                        <atom elementType="H"
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                              x3="-3.175172"
                              y3="1.295974"
                              z3="1.582284"/>
                        <atom elementType="H"
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                              x3="-2.156216"
                              y3="2.123917"
                              z3="0.37593"/>
                        <atom elementType="H"
                              id="a22"
                              x3="3.855085"
                              y3="1.069332"
                              z3="0.350444"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.25809"
                              y3="0.236154"
                              z3="0.774926"/>
                        <atom elementType="H"
                              id="a24"
                              x3="3.935946"
                              y3="-0.63465"
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                              y3="-0.145046"
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                              y3="-0.919288"
                              z3="-1.533974"/>
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                              y3="-0.405719"
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                              id="a30"
                              x3="1.532771"
                              y3="-2.640016"
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                        <atom elementType="C"
                              id="a31"
                              x3="0.718119"
                              y3="-2.851768"
                              z3="-0.973648"/>
                        <atom elementType="H"
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                              x3="1.170418"
                              y3="-3.091377"
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                              y3="-3.760513"
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                        <atom elementType="H"
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                              x3="-1.784945"
                              y3="-2.881027"
                              z3="-1.841168"/>
                        <atom elementType="C"
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                              x3="-1.215993"
                              y3="-1.953147"
                              z3="-2.050046"/>
                        <atom elementType="H"
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                              x3="-1.929835"
                              y3="-1.119202"
                              z3="-2.071562"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.785492"
                              y3="-2.060512"
                              z3="-3.065254"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.066703"
                              y3="1.893989"
                              z3="-1.994305"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.599068"
                              y3="2.096763"
                              z3="-2.978432"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.67546"
                              y3="2.787018"
                              z3="-1.742266"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.757243"
                              y3="1.049333"
                              z3="-2.122315"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.274028"
                              y3="3.580248"
                              z3="-0.299183"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.80306"
                              y3="2.739766"
                              z3="-0.795621"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.192788"
                              y3="3.129761"
                              z3="-1.757035"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.660822"
                              y3="2.465002"
                              z3="-0.167108"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.032,-.11,.098;-.1839,-1.7265,-1.0706;-2.0013,.0276,.3618;2.1018,-.0429,-.0313;-.0612,1.6061,-1.0039;-.0201,-1.211,2.2145;-1.0815,-1.3888,2.4077;.6205,-2.0843,2.369;.5485,.0508,2.5267;1.6275,.0356,2.7068;-.0111,1.3004,2.3523;-1.0901,1.4585,2.3452;.6134,2.1875,2.4784;-3.1735,-1.1416,1.6861;-2.8272,-1.1249,.6315;-2.2827,-2.0594,.4454;-3.7377,-1.1184,.0008;-3.6414,1.2644,-.1305;-2.7691,1.2316,.5513;-3.1752,1.296,1.5823;-2.1562,2.1239,.3759;3.8551,1.0693,.3504;3.2581,.2362,.7749;3.9359,-.6347,.8402;3.0043,.5273,1.8002;2.9614,.8124,-1.7743;2.5343,-.145,-1.4147;3.3181,-.9193,-1.534;1.7053,-.4057,-2.0866;1.5328,-2.64,-.2677;.7181,-2.8518,-.9736;1.1704,-3.0914,-1.9562;.1899,-3.7605,-.6246;-1.7849,-2.881,-1.8412;-1.216,-1.9531,-2.05;-1.9298,-1.1192,-2.0716;-.7855,-2.0605,-3.0653;-1.0667,1.894,-1.9943;-.5991,2.0968,-2.9784;-1.6755,2.787,-1.7423;-1.7572,1.0493,-2.1223;.274,3.5802,-.2992;.8031,2.7398,-.7956;1.1928,3.1298,-1.757;1.6608,2.465,-.1671;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
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                              x3="0.032091"
                              y3="-0.105055"
                              z3="0.100878"/>
                        <atom elementType="N"
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                              x3="-0.1808"
                              y3="-1.724264"
                              z3="-1.066031"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.00205"
                              y3="0.027715"
                              z3="0.362057"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.10231"
                              y3="-0.042886"
                              z3="-0.031017"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.062719"
                              y3="1.608158"
                              z3="-1.004112"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.023574"
                              y3="-1.211858"
                              z3="2.219673"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.086166"
                              y3="-1.388002"
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                        <atom elementType="H"
                              id="a8"
                              x3="0.615751"
                              y3="-2.085965"
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                        <atom elementType="C"
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                              x3="0.545596"
                              y3="0.049804"
                              z3="2.527182"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.624348"
                              y3="0.034813"
                              z3="2.707563"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-0.012018"
                              y3="1.299963"
                              z3="2.34624"/>
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                              id="a12"
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                              y3="1.460188"
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                              y3="-2.059429"
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                              x3="-3.643557"
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                              z3="-0.130364"/>
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                              y3="0.489268"
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                              x3="2.961515"
                              y3="0.818461"
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                              z3="-2.087372"/>
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                              y3="-2.636959"
                              z3="-0.261505"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.720243"
                              y3="-2.850014"
                              z3="-0.966418"/>
                        <atom elementType="H"
                              id="a32"
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                              y3="-3.092435"
                              z3="-1.948676"/>
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                              id="a33"
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                              y3="-3.757651"
                              z3="-0.614913"/>
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                              y3="-2.879103"
                              z3="-1.837199"/>
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                              y3="-1.117615"
                              z3="-2.071306"/>
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                              x3="-0.779216"
                              y3="-2.06183"
                              z3="-3.060842"/>
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                              x3="-1.06878"
                              y3="1.895545"
                              z3="-1.994087"/>
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                              x3="-0.601887"
                              y3="2.095592"
                              z3="-2.979115"/>
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                              id="a40"
                              x3="-1.675634"
                              y3="2.790114"
                              z3="-1.743026"/>
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                              z3="-2.1195"/>
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                              y3="3.58378"
                              z3="-0.305262"/>
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                              id="a43"
                              x3="0.803342"
                              y3="2.741225"
                              z3="-0.798983"/>
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                              id="a44"
                              x3="1.1939"
                              y3="3.12777"
                              z3="-1.761429"/>
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                              id="a45"
                              x3="1.660507"
                              y3="2.467125"
                              z3="-0.169353"/>
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                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
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                              x3="-2.001885"
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                        <atom elementType="N"
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                              x3="2.10286"
                              y3="-0.044691"
                              z3="-0.031235"/>
                        <atom elementType="N"
                              id="a5"
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                              z3="-0.80009"/>
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                              z3="-1.762744"/>
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                              x3="1.660534"
                              y3="2.466489"
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                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
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                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
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                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a9 a10" order="S"/>
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                        <bond atomRefs2="a14 a15" order="S"/>
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                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
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                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
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                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
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               <module cmlx:templateRef="geometry">
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                        <atom elementType="H"
                              id="a44"
                              x3="1.201772"
                              y3="3.11641"
                              z3="-1.778498"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.657841"
                              y3="2.47422"
                              z3="-0.175867"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0325,-.0875,.1097;-.1698,-1.717,-1.0503;-2.0042,.0277,.3628;2.1039,-.044,-.032;-.0687,1.6155,-1.0058;-.0349,-1.2144,2.2382;-1.1017,-1.3841,2.4049;.5992,-2.0917,2.3943;.5369,.0459,2.5296;1.6144,.0311,2.7131;-.0131,1.2987,2.3252;-1.0905,1.4673,2.3352;.6199,2.1806,2.4458;-3.1895,-1.1485,1.6677;-2.8283,-1.1289,.6182;-2.2761,-2.0601,.4389;-3.7301,-1.1261,-.0249;-3.6511,1.2566,-.128;-2.7781,1.228,.5533;-3.1837,1.2892,1.5847;-2.1704,2.1239,.3784;3.82,1.1003,.427;3.2751,.1943,.7656;3.9969,-.6448,.6949;3.0479,.3402,1.828;2.9668,.8407,-1.7598;2.5224,-.1168,-1.4218;3.2899,-.9028,-1.567;1.683,-.3436,-2.0928;1.5449,-2.6268,-.2413;.7262,-2.8453,-.9402;1.1727,-3.101,-1.9214;.1956,-3.7472,-.5765;-1.7725,-2.871,-1.8225;-1.1959,-1.9484,-2.0349;-1.9049,-1.1109,-2.0722;-.7572,-2.0688,-3.0453;-1.0769,1.9015,-1.994;-.6131,2.0906,-2.9826;-1.6757,2.8024,-1.7467;-1.7751,1.0614,-2.1091;.2798,3.5973,-.3323;.805,2.7454,-.8126;1.2018,3.1164,-1.7785;1.6578,2.4742,-.1759;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.032547"
                              y3="-0.086526"
                              z3="0.109814"/>
                        <atom elementType="N"
                              id="a2"
                              x3="-0.169109"
                              y3="-1.716488"
                              z3="-1.049764"/>
                        <atom elementType="N"
                              id="a3"
                              x3="-2.0043"
                              y3="0.027649"
                              z3="0.362692"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.104114"
                              y3="-0.044344"
                              z3="-0.031976"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.069422"
                              y3="1.615887"
                              z3="-1.006202"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.035457"
                              y3="-1.214263"
                              z3="2.239251"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.102478"
                              y3="-1.383689"
                              z3="2.404178"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.598274"
                              y3="-2.09177"
                              z3="2.395507"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.536326"
                              y3="0.045907"
                              z3="2.530277"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.613456"
                              y3="0.031334"
                              z3="2.714945"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-0.013149"
                              y3="1.298839"
                              z3="2.324616"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.090529"
                              y3="1.468014"
                              z3="2.334809"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.620033"
                              y3="2.18049"
                              z3="2.44594"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.190168"
                              y3="-1.148942"
                              z3="1.666778"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.828227"
                              y3="-1.129237"
                              z3="0.617557"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.275578"
                              y3="-2.060247"
                              z3="0.438561"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.729528"
                              y3="-1.126672"
                              z3="-0.026242"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-3.651615"
                              y3="1.256171"
                              z3="-0.12746"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.778509"
                              y3="1.227663"
                              z3="0.553598"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.183804"
                              y3="1.288631"
                              z3="1.585111"/>
                        <atom elementType="H"
                              id="a21"
                              x3="-2.171101"
                              y3="2.123817"
                              z3="0.378589"/>
                        <atom elementType="H"
                              id="a22"
                              x3="3.817239"
                              y3="1.102614"
                              z3="0.432163"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.276083"
                              y3="0.192373"
                              z3="0.765486"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.001021"
                              y3="-0.643764"
                              z3="0.686921"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.051265"
                              y3="0.329591"
                              z3="1.829211"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.968545"
                              y3="0.841323"
                              z3="-1.758559"/>
                        <atom elementType="C"
                              id="a27"
                              x3="2.522146"
                              y3="-0.115671"
                              z3="-1.421948"/>
                        <atom elementType="H"
                              id="a28"
                              x3="3.287854"
                              y3="-0.903162"
                              z3="-1.568602"/>
                        <atom elementType="H"
                              id="a29"
                              x3="1.682075"
                              y3="-0.339604"
                              z3="-2.093027"/>
                        <atom elementType="H"
                              id="a30"
                              x3="1.545542"
                              y3="-2.626217"
                              z3="-0.240574"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.7263"
                              y3="-2.84516"
                              z3="-0.938693"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.172056"
                              y3="-3.102342"
                              z3="-1.919924"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.195442"
                              y3="-3.746397"
                              z3="-0.573598"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.772194"
                              y3="-2.870001"
                              z3="-1.822014"/>
                        <atom elementType="C"
                              id="a35"
                              x3="-1.194837"
                              y3="-1.947981"
                              z3="-2.034722"/>
                        <atom elementType="H"
                              id="a36"
                              x3="-1.903302"
                              y3="-1.110022"
                              z3="-2.07301"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.755733"
                              y3="-2.069321"
                              z3="-3.044741"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.077911"
                              y3="1.901929"
                              z3="-1.994018"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.614491"
                              y3="2.090079"
                              z3="-2.983008"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.6759"
                              y3="2.803422"
                              z3="-1.746884"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.77673"
                              y3="1.062274"
                              z3="-2.108167"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.279949"
                              y3="3.598375"
                              z3="-0.335334"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.804955"
                              y3="2.745476"
                              z3="-0.813989"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.202715"
                              y3="3.114843"
                              z3="-1.780147"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.657205"
                              y3="2.474742"
                              z3="-0.176263"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0325,-.0865,.1098;-.1691,-1.7165,-1.0498;-2.0043,.0276,.3627;2.1041,-.0443,-.032;-.0694,1.6159,-1.0062;-.0355,-1.2143,2.2393;-1.1025,-1.3837,2.4042;.5983,-2.0918,2.3955;.5363,.0459,2.5303;1.6135,.0313,2.7149;-.0131,1.2988,2.3246;-1.0905,1.468,2.3348;.62,2.1805,2.4459;-3.1902,-1.1489,1.6668;-2.8282,-1.1292,.6176;-2.2756,-2.0602,.4386;-3.7295,-1.1267,-.0262;-3.6516,1.2562,-.1275;-2.7785,1.2277,.5536;-3.1838,1.2886,1.5851;-2.1711,2.1238,.3786;3.8172,1.1026,.4322;3.2761,.1924,.7655;4.001,-.6438,.6869;3.0513,.3296,1.8292;2.9685,.8413,-1.7586;2.5221,-.1157,-1.4219;3.2879,-.9032,-1.5686;1.6821,-.3396,-2.093;1.5455,-2.6262,-.2406;.7263,-2.8452,-.9387;1.1721,-3.1023,-1.9199;.1954,-3.7464,-.5736;-1.7722,-2.87,-1.822;-1.1948,-1.948,-2.0347;-1.9033,-1.11,-2.073;-.7557,-2.0693,-3.0447;-1.0779,1.9019,-1.994;-.6145,2.0901,-2.983;-1.6759,2.8034,-1.7469;-1.7767,1.0623,-2.1082;.2799,3.5984,-.3353;.805,2.7455,-.814;1.2027,3.1148,-1.7801;1.6572,2.4747,-.1763;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ta"
                              id="a1"
                              x3="0.032513"
                              y3="-0.085015"
                              z3="0.110113"/>
                        <atom elementType="N"
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                              x3="-0.168408"
                              y3="-1.71573"
                              z3="-1.048982"/>
                        <atom elementType="N"
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                              x3="-2.004456"
                              y3="0.027723"
                              z3="0.362801"/>
                        <atom elementType="N"
                              id="a4"
                              x3="2.104104"
                              y3="-0.04349"
                              z3="-0.031744"/>
                        <atom elementType="N"
                              id="a5"
                              x3="-0.069994"
                              y3="1.616569"
                              z3="-1.006753"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-0.035732"
                              y3="-1.214978"
                              z3="2.240055"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-1.102926"
                              y3="-1.384137"
                              z3="2.403949"/>
                        <atom elementType="H"
                              id="a8"
                              x3="0.597859"
                              y3="-2.092641"
                              z3="2.395836"/>
                        <atom elementType="C"
                              id="a9"
                              x3="0.536204"
                              y3="0.045057"
                              z3="2.529762"/>
                        <atom elementType="H"
                              id="a10"
                              x3="1.613462"
                              y3="0.03061"
                              z3="2.713583"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-0.013191"
                              y3="1.298149"
                              z3="2.323074"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-1.090513"
                              y3="1.467624"
                              z3="2.335096"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.620295"
                              y3="2.179661"
                              z3="2.443869"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-3.190537"
                              y3="-1.149394"
                              z3="1.666172"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.828235"
                              y3="-1.129382"
                              z3="0.617084"/>
                        <atom elementType="H"
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                              x3="-2.27532"
                              y3="-2.060218"
                              z3="0.438054"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.729327"
                              y3="-1.126841"
                              z3="-0.027007"/>
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                              id="a18"
                              x3="-3.652186"
                              y3="1.255899"
                              z3="-0.126782"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-2.778898"
                              y3="1.227549"
                              z3="0.554045"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-3.183924"
                              y3="1.288321"
                              z3="1.585675"/>
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                              x3="-2.171756"
                              y3="2.123877"
                              z3="0.378975"/>
                        <atom elementType="H"
                              id="a22"
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                              y3="1.100654"
                              z3="0.434434"/>
                        <atom elementType="C"
                              id="a23"
                              x3="3.276547"
                              y3="0.190324"
                              z3="0.765916"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.00039"
                              y3="-0.646519"
                              z3="0.685356"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.052581"
                              y3="0.325122"
                              z3="1.830064"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.970191"
                              y3="0.842507"
                              z3="-1.757343"/>
                        <atom elementType="C"
                              id="a27"
                              x3="2.521996"
                              y3="-0.114022"
                              z3="-1.421809"/>
                        <atom elementType="H"
                              id="a28"
                              x3="3.286228"
                              y3="-0.902773"
                              z3="-1.569361"/>
                        <atom elementType="H"
                              id="a29"
                              x3="1.681502"
                              y3="-0.335679"
                              z3="-2.09311"/>
                        <atom elementType="H"
                              id="a30"
                              x3="1.546228"
                              y3="-2.625135"
                              z3="-0.239503"/>
                        <atom elementType="C"
                              id="a31"
                              x3="0.726801"
                              y3="-2.844458"
                              z3="-0.937281"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.172299"
                              y3="-3.102414"
                              z3="-1.918431"/>
                        <atom elementType="H"
                              id="a33"
                              x3="0.195926"
                              y3="-3.745407"
                              z3="-0.571449"/>
                        <atom elementType="H"
                              id="a34"
                              x3="-1.771542"
                              y3="-2.869517"
                              z3="-1.820935"/>
                        <atom elementType="C"
                              id="a35"
                              x3="-1.194006"
                              y3="-1.947668"
                              z3="-2.033961"/>
                        <atom elementType="H"
                              id="a36"
                              x3="-1.902387"
                              y3="-1.109665"
                              z3="-2.0729"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.754716"
                              y3="-2.069602"
                              z3="-3.043834"/>
                        <atom elementType="C"
                              id="a38"
                              x3="-1.078807"
                              y3="1.902308"
                              z3="-1.994339"/>
                        <atom elementType="H"
                              id="a39"
                              x3="-0.615733"
                              y3="2.089893"
                              z3="-2.983595"/>
                        <atom elementType="H"
                              id="a40"
                              x3="-1.676472"
                              y3="2.804044"
                              z3="-1.747353"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-1.777824"
                              y3="1.062729"
                              z3="-2.107767"/>
                        <atom elementType="H"
                              id="a42"
                              x3="0.280013"
                              y3="3.599376"
                              z3="-0.337279"/>
                        <atom elementType="C"
                              id="a43"
                              x3="0.804746"
                              y3="2.746083"
                              z3="-0.81549"/>
                        <atom elementType="H"
                              id="a44"
                              x3="1.202356"
                              y3="3.114698"
                              z3="-1.78199"/>
                        <atom elementType="H"
                              id="a45"
                              x3="1.657066"
                              y3="2.475529"
                              z3="-0.177774"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a35" order="S"/>
                        <bond atomRefs2="a2 a31" order="S"/>
                        <bond atomRefs2="a3 a19" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a27" order="S"/>
                        <bond atomRefs2="a4 a23" order="S"/>
                        <bond atomRefs2="a5 a38" order="S"/>
                        <bond atomRefs2="a5 a43" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a6 a9" order="S"/>
                        <bond atomRefs2="a9 a11" order="S"/>
                        <bond atomRefs2="a9 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a25" order="S"/>
                        <bond atomRefs2="a23 a24" order="S"/>
                        <bond atomRefs2="a26 a27" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a30 a31" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a45" order="S"/>
                     </bondArray>
                     <formula concise="C11H29N4Ta">
                        <atomArray count="11 29 4 1" elementType="C H N Ta"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">369.0923999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0325,-.085,.1101;-.1684,-1.7157,-1.049;-2.0045,.0277,.3628;2.1041,-.0435,-.0317;-.07,1.6166,-1.0068;-.0357,-1.215,2.2401;-1.1029,-1.3841,2.4039;.5979,-2.0926,2.3958;.5362,.0451,2.5298;1.6135,.0306,2.7136;-.0132,1.2981,2.3231;-1.0905,1.4676,2.3351;.6203,2.1797,2.4439;-3.1905,-1.1494,1.6662;-2.8282,-1.1294,.6171;-2.2753,-2.0602,.4381;-3.7293,-1.1268,-.027;-3.6522,1.2559,-.1268;-2.7789,1.2275,.554;-3.1839,1.2883,1.5857;-2.1718,2.1239,.379;3.8187,1.1007,.4344;3.2765,.1903,.7659;4.0004,-.6465,.6854;3.0526,.3251,1.8301;2.9702,.8425,-1.7573;2.522,-.114,-1.4218;3.2862,-.9028,-1.5694;1.6815,-.3357,-2.0931;1.5462,-2.6251,-.2395;.7268,-2.8445,-.9373;1.1723,-3.1024,-1.9184;.1959,-3.7454,-.5714;-1.7715,-2.8695,-1.8209;-1.194,-1.9477,-2.034;-1.9024,-1.1097,-2.0729;-.7547,-2.0696,-3.0438;-1.0788,1.9023,-1.9943;-.6157,2.0899,-2.9836;-1.6765,2.804,-1.7474;-1.7778,1.0627,-2.1078;.28,3.5994,-.3373;.8047,2.7461,-.8155;1.2024,3.1147,-1.782;1.6571,2.4755,-.1778;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448520086029</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448532353210</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448537863983</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448543346517</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448548542570</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448553446598</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448558060984</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448562496904</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448566954935</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448571734465</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448577248460</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448583556354</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448591008541</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448599809143</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448610112198</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448622081302</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448635855273</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448651581018</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448669011037</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448687596908</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448706898423</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448725295713</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448743288307</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448761051400</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448779024293</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448797841265</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448818219067</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448840687081</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448865516841</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448847853943</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448833038968</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448906942507</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.448973215002</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449022061380</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449059094802</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449087841943</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449102707888</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449118901599</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449132728454</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449140458191</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449141439811</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449141466321</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="45">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="45">Ta N N N N C H H C H C H H H C H H H C H H H C H H H C H H H C H H H C H H C H H H H C H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="45">-0.009431 -0.173304 -0.156905 -0.207633 -0.175441 -0.147808 0.052140 0.041118 0.011052 0.053577 -0.136389 0.051959 0.039948 0.018794 0.016757 0.040717 0.018776 0.018789 0.016211 0.018592 0.040086 0.021384 0.011259 0.022095 0.022556 0.017758 0.023612 0.017443 0.050526 0.043081 0.024054 0.016855 0.018072 0.013663 0.021531 0.036923 0.020413 0.020767 0.020164 0.012382 0.036279 0.016840 0.023091 0.016416 0.041230</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="45">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="45">Ta N N N N C H H C H C H H H C H H H C H H H C H H H C H H H C H H H C H H C H H H H C H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="45">12.1657 7.6273 7.6057 7.6499 7.6248 6.1520 0.9168 0.9346 6.1896 0.9409 6.1307 0.9159 0.9356 0.9602 5.9265 0.9236 0.9735 0.9737 5.9262 0.9606 0.9245 0.9736 5.9216 0.9509 0.9502 0.9704 5.9231 0.9711 0.8886 0.9145 5.9044 0.9744 0.9685 0.9768 5.9056 0.9322 0.9643 5.9053 0.9649 0.9788 0.9353 0.9699 5.9012 0.9754 0.9206</array>
                     <array dataType="xsd:double" dictRef="o:za" size="45">13.0000 7.0000 7.0000 7.0000 7.0000 6.0000 1.0000 1.0000 6.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="45">0.8343 -0.6273 -0.6057 -0.6499 -0.6248 -0.1520 0.0832 0.0654 -0.1896 0.0591 -0.1307 0.0841 0.0644 0.0398 0.0735 0.0764 0.0265 0.0263 0.0738 0.0394 0.0755 0.0264 0.0784 0.0491 0.0498 0.0296 0.0769 0.0289 0.1114 0.0855 0.0956 0.0256 0.0315 0.0232 0.0944 0.0678 0.0357 0.0947 0.0351 0.0212 0.0647 0.0301 0.0988 0.0246 0.0794</array>
                     <array dataType="xsd:double" dictRef="o:va" size="45">6.2739 3.1276 3.1168 3.0402 3.1262 3.8300 0.9871 0.9642 4.0674 0.9941 3.8423 0.9876 0.9649 0.9800 3.9058 0.9858 0.9840 0.9841 3.9090 0.9797 0.9858 0.9936 3.9184 0.9663 0.9669 0.9758 3.8957 0.9744 0.9785 0.9819 3.8941 0.9811 0.9794 0.9815 3.9084 0.9903 0.9771 3.9096 0.9768 0.9814 0.9908 0.9793 3.8932 0.9809 0.9833</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="45">6.2739 3.1276 3.1168 3.0402 3.1262 3.8300 0.9871 0.9642 4.0674 0.9941 3.8423 0.9876 0.9649 0.9800 3.9058 0.9858 0.9840 0.9841 3.9090 0.9797 0.9858 0.9936 3.9184 0.9663 0.9669 0.9758 3.8957 0.9744 0.9785 0.9819 3.8941 0.9811 0.9794 0.9815 3.9084 0.9903 0.9771 3.9096 0.9768 0.9814 0.9908 0.9793 3.8932 0.9809 0.9833</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="45">-0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -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="46">1.0314 1.0487 0.9732 1.0275 0.5342 0.2810 0.4997 0.9759 0.9863 0.9840 0.9861 0.9875 0.9686 0.9879 0.9777 0.8990 0.9114 1.3588 0.9383 1.4069 0.8995 0.9131 0.9470 0.9590 0.9554 0.9556 0.9470 0.9594 0.9587 0.9580 0.9579 0.9518 0.9537 0.9326 0.9494 0.9592 0.9552 0.9548 0.9488 0.9552 0.9548 0.9542 0.9498 0.9549 0.9589 0.9503</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="46">0 1 0 2 0 3 0 4 0 5 0 8 0 10 1 30 1 34 2 14 2 18 3 22 3 26 4 37 4 42 5 6 5 7 5 8 8 9 8 10 10 11 10 12 13 14 14 15 14 16 17 18 18 19 18 20 21 22 22 23 22 24 25 26 26 27 26 28 29 30 30 31 30 32 33 34 34 35 34 36 37 38 37 39 37 40 41 42 42 43 42 44</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="45">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="45">Ta N N N N C H H C H C H H H C H H H C H H H C H H H C H H H C H H H C H H C H H H H C H H</array>
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                  </list>
               </module>
               <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
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         <module dictRef="cc:finalization" id="finalization">
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                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
               </bondArray>
               <formula concise="C11H29N4Ta">
                  <atomArray count="11 29 4 1" elementType="C H N Ta"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">369.0923999999998</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C3H5.4C2H6N.Ta/c5*1-3-2;/h3H,1-2H2;4*1-2H3;/q;4*-1;+4/rC11H29N4Ta/c1-10-11-16(12(2)3,13(4)5,14(6)7)15(8)9/h10H,1,11H2,2-9H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,11,9;31,35,2;15,19,3;23,27,4;38,43,5;1/E:5*(1,2);/CRV:1.3,2.3,3.3;4*3-1;/rA:45nTaNNNNCHHC3HC3HHHCHHHCHHHCHHHCHHHCHHHCHHCHHHHCHH/rB:s1;s1;s1;s1;s1;s6;s6;s6;s9;s9;s11;s11;;s3s14;s15;s15;;s3s18;s19;s19;;s4s22;s23;s23;;s4s26;s27;s27;;s2s30;s31;s31;;s2s34;s35;s35;s5;s38;s38;s38;;s5s42;s43;s43;/rC:.0325,-.0851,.1101;-.1684,-1.7158,-1.049;-2.0045,.0277,.3628;2.1041,-.0435,-.0318;-.07,1.6165,-1.0067;-.0357,-1.215,2.24;-1.1029,-1.3841,2.404;.5979,-2.0926,2.3958;.5362,.0451,2.5298;1.6135,.0306,2.7136;-.0132,1.2982,2.3232;-1.0905,1.4676,2.3351;.6203,2.1797,2.444;-3.1905,-1.1494,1.6662;-2.8282,-1.1294,.6171;-2.2753,-2.0602,.438;-3.7293,-1.1268,-.027;-3.6521,1.2559,-.1268;-2.7789,1.2276,.554;-3.1839,1.2883,1.5857;-2.1717,2.1239,.379;3.8186,1.1008,.4342;3.2765,.1905,.7659;4.0004,-.6463,.6855;3.0525,.3255,1.83;2.9701,.8424,-1.7574;2.522,-.1141,-1.4218;3.2863,-.9028,-1.5693;1.6816,-.336,-2.0931;1.5462,-2.6252,-.2395;.7268,-2.8445,-.9373;1.1723,-3.1024,-1.9185;.1959,-3.7455,-.5716;-1.7716,-2.8695,-1.821;-1.194,-1.9477,-2.034;-1.9024,-1.1097,-2.073;-.7547,-2.0696,-3.0439;-1.0788,1.9023,-1.9943;-.6157,2.0899,-2.9835;-1.6764,2.8041,-1.7473;-1.7778,1.0627,-2.1077;.28,3.5993,-.3372;.8048,2.746,-.8154;1.2024,3.1147,-1.7819;1.6571,2.4755,-.1777;/R:/0/N:11,15,19,23,27,31,35,38,43,9,6,3,4,2,5,1/E:(2,3,4,5,6,7,8,9)(12,13,14,15)/CRV:1.3,10.3</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">-711.39358772</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">1449.02857740</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-2160.42216512</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-3862.14792901</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1701.72576389</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-1377.64960815</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">666.25602043</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.06774808</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">67.999958228711</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">67.999958228711</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">135.999916457423</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-74.515345097520</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-4.567417225618</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-79.082762323138</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054932363</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">398.33</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-711.02664738</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-711.02570317</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">0.03627576</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01549406</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02082868</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07259850</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-711.02570317</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.07259850</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-711.09830168</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.35021841</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054935182</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054938131</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054940791</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054943442</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054945647</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054947338</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054948621</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054949669</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054950700</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054950968</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">398.33</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-711.02752113</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-711.02657692</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">0.03477722</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01549585</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02082868</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07110175</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054951346</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054952948</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054954693</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054956623</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054958710</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054960829</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054963088</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054965503</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054967745</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054969618</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">398.33</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-711.02758465</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-711.02664044</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">0.03501242</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01549940</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02082868</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07134050</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054971438</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054971828</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054971172</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054969407</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054966491</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054962534</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054957730</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054952266</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054947047</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054938817</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">398.33</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-711.02850443</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-711.02756022</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">0.03307821</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01549877</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02082868</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.06940567</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054936406</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054928769</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054919711</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054912653</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054905804</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054903698</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054898739</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054892601</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054886984</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054882156</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">398.33</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-711.02709643</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-711.02615222</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">0.03634773</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01549711</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02082868</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07267352</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054881641</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="387">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="387">2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="387"
                            units="nonsi:electronvolt">-391.1452 -391.1178 -390.8447 -390.7670 -278.9708 -278.8774 -278.8769 -278.8570 -278.8459 -278.8067 -278.7944 -278.6959 -278.6929 -277.9635 -277.6686 -75.0042 -40.6053 -40.5322 -40.4595 -24.6953 -24.4218 -24.2646 -24.1756 -21.9274 -19.5061 -19.3891 -19.1549 -19.1293 -18.3504 -16.7621 -16.6177 -16.4095 -16.3749 -15.1718 -13.4832 -13.1144 -13.0047 -12.9608 -12.8765 -12.7272 -12.4925 -12.3179 -12.2699 -12.1550 -12.0466 -12.0000 -11.8756 -11.7961 -10.7711 -10.6023 -10.5405 -10.4009 -10.3806 -10.1978 -10.1112 -9.9483 -9.8931 -9.8011 -9.7628 -9.2818 -9.1328 -8.4639 -8.0302 -6.6055 -6.5165 -6.1398 -6.0090 -5.1347 -1.1335 -0.3515 0.0091 0.9094 1.4061 1.7626 1.8794 1.9885 2.5210 2.7434 2.7939 3.1334 3.1824 3.3683 3.4310 3.6448 3.7126 3.8117 4.0447 4.1499 4.1941 4.3036 4.5075 4.5840 4.6869 4.8060 4.8815 5.0171 5.0469 5.2021 5.2869 5.5267 5.5711 5.7585 5.8032 6.0507 6.3186 6.9111 7.1013 7.1719 7.4024 7.6292 7.6998 8.0375 8.1710 8.5157 8.7699 8.8681 9.5697 9.6880 10.4014 10.4758 10.7537 11.2752 11.5411 11.7957 11.8139 12.4700 12.8518 13.0877 13.3240 13.9334 14.1066 14.2919 14.4233 14.5808 14.7845 14.8661 15.4765 16.0122 16.1947 16.3872 16.4815 16.7109 16.9012 17.0447 17.1401 17.2072 17.3985 17.6546 17.7012 17.8051 17.9906 18.0690 18.2276 18.3686 18.5065 18.5615 18.7233 18.8914 18.9921 19.1299 19.1539 19.2410 19.3608 19.4622 19.6154 19.6761 20.0868 20.1972 20.4498 20.5195 20.6649 20.8858 20.9376 21.0355 21.1828 21.2245 21.5302 21.6335 22.0873 22.4082 22.5216 22.5783 22.9754 23.1514 23.3786 23.6013 23.7664 23.9765 24.6625 24.8546 24.9963 25.4383 25.8070 25.9386 26.5589 26.7155 27.0576 27.5470 27.7871 27.8301 28.1089 29.0091 29.2755 29.3598 30.1085 30.3865 31.2664 31.6220 32.2208 32.4456 32.7443 32.8126 33.1050 33.4321 33.8226 33.8832 34.3676 34.6180 34.9052 35.1295 35.8052 36.0456 36.5761 36.8255 37.2358 37.7229 37.9843 38.7148 38.9363 39.6034 39.8521 40.2526 40.8748 41.1749 41.5747 41.7424 42.3086 42.3982 42.5747 42.7692 42.9713 43.1521 43.7463 43.8535 44.2273 44.3354 44.4393 45.1596 45.5660 46.1096 46.2972 46.5653 46.7720 46.9670 47.2173 47.7850 47.8420 48.2145 48.4005 48.6010 48.8591 49.2379 49.3582 49.5406 49.6816 49.8242 49.9901 50.0480 50.1079 50.2511 50.4820 50.5525 50.6175 50.7316 50.8181 51.2546 51.3039 51.4826 51.6166 51.8531 51.9485 52.0003 52.0363 52.3665 52.5415 52.7031 52.8250 52.9406 53.1751 53.5615 53.7218 53.9552 54.1042 55.8313 56.2056 56.4863 56.5860 56.9376 57.1765 57.3817 58.3268 58.8694 59.5777 59.8985 60.1660 60.3397 60.5187 60.6840 61.0202 61.0415 61.2686 61.3897 61.6465 61.8186 62.0932 62.5269 62.6431 62.7883 63.2242 63.5473 63.9256 64.0240 64.2356 65.5598 65.9096 66.2039 66.8868 67.0562 67.2708 67.6295 67.7421 67.7612 68.5506 68.8654 69.8772 71.7874 71.8828 72.2952 72.4269 72.4970 72.6008 72.6571 72.7226 72.7885 72.9718 73.3643 73.7836 73.9338 74.0227 74.1184 74.4255 74.4936 75.8099 76.3013 77.0265 77.7377 78.9920 79.2675 79.3415 79.5763 79.6969 79.8619 79.9693 80.0201 80.3422 80.5298 80.6409 81.2473 81.3094 81.7438 82.8208 82.8528 83.1446 83.3504 83.4461 85.1346 85.6870 85.8413 86.2976 86.5660 86.6171 86.7711 86.9977 89.6034 90.8202 1926.0573 17512.3279</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="45">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="45">Ta N N N N C H H C H C H H H C H H H C H H H C H H H C H H H C H H H C H H C H H H H C H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="45">0.841067 -0.630740 -0.603510 -0.641956 -0.621325 -0.177267 0.081799 0.065843 -0.205325 0.071720 -0.088615 0.083338 0.064005 0.040769 0.072423 0.076822 0.026894 0.025972 0.074362 0.039050 0.073285 0.025707 0.099855 0.029623 0.030699 0.026028 0.085261 0.022647 0.109065 0.093326 0.089764 0.028046 0.033662 0.026162 0.094599 0.070558 0.037240 0.096446 0.034633 0.017690 0.058318 0.027154 0.101636 0.023716 0.069551</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="45">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="45">Ta N N N N C H H C H C H H H C H H H C H H H C H H H C H H H C H H H C H H C H H H H C H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="45">-0.005780 -0.169450 -0.153632 -0.201087 -0.178965 -0.163928 0.051748 0.043245 0.007621 0.050164 -0.117349 0.050777 0.039241 0.019447 0.017694 0.041621 0.018975 0.018914 0.015646 0.018592 0.039186 0.013596 0.013530 0.016189 0.020341 0.018368 0.025575 0.016871 0.049394 0.046554 0.025228 0.017813 0.020089 0.015607 0.022727 0.037735 0.021029 0.019579 0.019852 0.010242 0.035034 0.015064 0.021541 0.015805 0.039558</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="45">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="45">Ta N N N N C H H C H C H H H C H H H C H H H C H H H C H H H C H H H C H H C H H H H C H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="45">12.1589 7.6307 7.6035 7.6420 7.6213 6.1773 0.9182 0.9342 6.2053 0.9283 6.0886 0.9167 0.9360 0.9592 5.9276 0.9232 0.9731 0.9740 5.9256 0.9609 0.9267 0.9743 5.9001 0.9704 0.9693 0.9740 5.9147 0.9774 0.8909 0.9067 5.9102 0.9720 0.9663 0.9738 5.9054 0.9294 0.9628 5.9036 0.9654 0.9823 0.9417 0.9728 5.8984 0.9763 0.9304</array>
                     <array dataType="xsd:double" dictRef="o:za" size="45">13.0000 7.0000 7.0000 7.0000 7.0000 6.0000 1.0000 1.0000 6.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="45">0.8411 -0.6307 -0.6035 -0.6420 -0.6213 -0.1773 0.0818 0.0658 -0.2053 0.0717 -0.0886 0.0833 0.0640 0.0408 0.0724 0.0768 0.0269 0.0260 0.0744 0.0391 0.0733 0.0257 0.0999 0.0296 0.0307 0.0260 0.0853 0.0226 0.1091 0.0933 0.0898 0.0280 0.0337 0.0262 0.0946 0.0706 0.0372 0.0964 0.0346 0.0177 0.0583 0.0272 0.1016 0.0237 0.0696</array>
                     <array dataType="xsd:double" dictRef="o:va" size="45">6.2590 3.1289 3.1200 3.0409 3.1206 3.8086 0.9869 0.9620 4.0768 0.9735 3.8529 0.9896 0.9639 0.9805 3.9029 0.9867 0.9843 0.9847 3.9151 0.9795 0.9870 0.9812 3.9257 0.9771 0.9895 0.9834 3.8913 0.9780 0.9772 0.9814 3.8946 0.9819 0.9795 0.9818 3.9072 0.9913 0.9779 3.9128 0.9761 0.9814 0.9928 0.9798 3.8952 0.9810 0.9862</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="45">6.2590 3.1289 3.1200 3.0409 3.1206 3.8086 0.9869 0.9620 4.0768 0.9735 3.8529 0.9896 0.9639 0.9805 3.9029 0.9867 0.9843 0.9847 3.9151 0.9795 0.9870 0.9812 3.9257 0.9771 0.9895 0.9834 3.8913 0.9780 0.9772 0.9814 3.8946 0.9819 0.9795 0.9818 3.9072 0.9913 0.9779 3.9128 0.9761 0.9814 0.9928 0.9798 3.8952 0.9810 0.9862</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="45">0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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="46">1.0375 1.0496 0.9562 1.0173 0.5838 0.2795 0.4406 0.9725 0.9839 0.9814 0.9897 1.0037 0.9644 0.9908 0.9799 0.8972 0.9120 1.2869 0.9431 1.4791 0.9002 0.9197 0.9468 0.9589 0.9552 0.9558 0.9468 0.9602 0.9504 0.9555 0.9581 0.9478 0.9530 0.9306 0.9486 0.9590 0.9553 0.9560 0.9474 0.9557 0.9540 0.9532 0.9512 0.9543 0.9584 0.9541</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="46">0 1 0 2 0 3 0 4 0 5 0 8 0 10 1 30 1 34 2 14 2 18 3 22 3 26 4 37 4 42 5 6 5 7 5 8 8 9 8 10 10 11 10 12 13 14 14 15 14 16 17 18 18 19 18 20 21 22 22 23 22 24 25 26 26 27 26 28 29 30 30 31 30 32 33 34 34 35 34 36 37 38 37 39 37 40 41 42 42 43 42 44</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.054881648</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-711.449141788647</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-5.29028 5.14386 -0.14642 8.60415 -8.68968 -0.08554 -17.09713 16.64865 -0.44848</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">0.47947</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">1.21870</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">398.33</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-711.44914179</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.39867374</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.02054051</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">-711.02709500</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.02337305</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.39867374</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.42204679</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-711.02709500</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-711.02615079</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">0.03635404</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01549703</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02082868</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07267975</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
