<?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">7s4p1d 7s6p5d1f 10s7p1d 4s1p</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="4">3s2p1d 5s3p2d1f 4s3p1d 2s1p</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="19">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="19">C C C C C Rh P P H H H H H H H H H H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="19">1 1 1 1 1 2 3 3 4 4 4 4 4 4 4 4 4 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">Rh</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">5</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Rh</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">Rh</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">5</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Rh</scalar>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                        </list>
                     </list>
                  </module>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-2.1914"
                        y3="-0.17878"
                        z3="-0.79752"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-2.52343"
                        y3="0.39044"
                        z3="0.48335"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-2.01552"
                        y3="-0.48646"
                        z3="1.46361"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-1.44936"
                        y3="-1.64365"
                        z3="0.79285"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-1.62053"
                        y3="-1.48288"
                        z3="-0.59982"/>
                  <atom elementType="Rh"
                        id="a6"
                        x3="-0.24814"
                        y3="0.17936"
                        z3="0.20485"/>
                  <atom elementType="P"
                        id="a7"
                        x3="1.51292"
                        y3="0.19216"
                        z3="1.53222"/>
                  <atom elementType="P"
                        id="a8"
                        x3="0.72702"
                        y3="1.54569"
                        z3="-1.21921"/>
                  <atom elementType="H"
                        id="a9"
                        x3="2.04369"
                        y3="2.03248"
                        z3="-0.97148"/>
                  <atom elementType="H"
                        id="a10"
                        x3="0.95253"
                        y3="1.15488"
                        z3="-2.57577"/>
                  <atom elementType="H"
                        id="a11"
                        x3="0.14364"
                        y3="2.81092"
                        z3="-1.5397"/>
                  <atom elementType="H"
                        id="a12"
                        x3="2.65937"
                        y3="0.97059"
                        z3="1.19621"/>
                  <atom elementType="H"
                        id="a13"
                        x3="1.41304"
                        y3="0.63209"
                        z3="2.88984"/>
                  <atom elementType="H"
                        id="a14"
                        x3="2.22174"
                        y3="-1.01326"
                        z3="1.83465"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-2.07786"
                        y3="-0.35001"
                        z3="2.54457"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-1.02442"
                        y3="-2.51675"
                        z3="1.29136"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-3.03408"
                        y3="1.33792"
                        z3="0.65672"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-2.46489"
                        y3="0.24855"
                        z3="-1.76474"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-1.33512"
                        y3="-2.1899"
                        z3="-1.37886"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a18" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
               </bondArray>
               <formula concise="C5H11P2Rh">
                  <atomArray count="5 11 2 1" elementType="C H P Rh"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">224.906522</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1914,-.1788,-.7975;-2.5234,.3904,.4834;-2.0155,-.4865,1.4636;-1.4494,-1.6437,.7929;-1.6205,-1.4829,-.5998;-.2481,.1794,.2049;1.5129,.1922,1.5322;.727,1.5457,-1.2192;2.0437,2.0325,-.9715;.9525,1.1549,-2.5758;.1436,2.8109,-1.5397;2.6594,.9706,1.1962;1.413,.6321,2.8898;2.2217,-1.0133,1.8346;-2.0779,-.35,2.5446;-1.0244,-2.5168,1.2914;-3.0341,1.3379,.6567;-2.4649,.2485,-1.7647;-1.3351,-2.1899,-1.3789;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</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">557</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-12-minim_PROD_pbe0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">88</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">192</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">669.2663421100 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">6.399e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.006 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">0.003 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.009 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">557</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-12-minim_PROD_pbe0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">88</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">192</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">669.8205166203 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">6.373e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.006 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">0.003 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.009 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <scalar dataType="xsd:integer" dictRef="o:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="10">PBE0 D3BJ def2-SVP def2/J RIJCOSX TightSCF defgrid3 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">maxiter 600</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">trust -0.1</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">inhess read</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">inhessname "reaction-12-minim_PROD_pbe0_preopt.hess"</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">recalc_hess 1</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">4000</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"/>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefined" id="otherComponents">
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.195235"
                              y3="-0.17301"
                              z3="-0.791171"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.521732"
                              y3="0.386578"
                              z3="0.491253"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.011119"
                              y3="-0.495077"
                              z3="1.461876"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.449889"
                              y3="-1.645598"
                              z3="0.78347"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.623232"
                              y3="-1.474728"
                              z3="-0.60415"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.249089"
                              y3="0.181497"
                              z3="0.207178"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.509744"
                              y3="0.200339"
                              z3="1.535407"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.730349"
                              y3="1.538216"
                              z3="-1.22099"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.046084"
                              y3="2.027084"
                              z3="-0.972582"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.960506"
                              y3="1.136155"
                              z3="-2.572536"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.149255"
                              y3="2.80003"
                              z3="-1.554354"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.658556"
                              y3="0.972994"
                              z3="1.196454"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.408444"
                              y3="0.65207"
                              z3="2.886773"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.213819"
                              y3="-1.002105"
                              z3="1.849178"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.070823"
                              y3="-0.366293"
                              z3="2.54145"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.024329"
                              y3="-2.520156"
                              z3="1.273205"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.031344"
                              y3="1.330052"
                              z3="0.672578"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.47085"
                              y3="0.259522"
                              z3="-1.752788"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.339916"
                              y3="-2.174179"
                              z3="-1.38712"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1952,-.173,-.7912;-2.5217,.3866,.4913;-2.0111,-.4951,1.4619;-1.4499,-1.6456,.7835;-1.6232,-1.4747,-.6041;-.2491,.1815,.2072;1.5097,.2003,1.5354;.7303,1.5382,-1.221;2.0461,2.0271,-.9726;.9605,1.1362,-2.5725;.1493,2.8,-1.5544;2.6586,.973,1.1965;1.4084,.6521,2.8868;2.2138,-1.0021,1.8492;-2.0708,-.3663,2.5415;-1.0243,-2.5202,1.2732;-3.0313,1.3301,.6726;-2.4708,.2595,-1.7528;-1.3399,-2.1742,-1.3871;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.194327"
                              y3="-0.174471"
                              z3="-0.792559"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.52108"
                              y3="0.387309"
                              z3="0.489249"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.011257"
                              y3="-0.493621"
                              z3="1.461722"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.450152"
                              y3="-1.646037"
                              z3="0.785128"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.622993"
                              y3="-1.477096"
                              z3="-0.603414"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.247821"
                              y3="0.179365"
                              z3="0.205764"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.509897"
                              y3="0.199795"
                              z3="1.53571"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.730084"
                              y3="1.538794"
                              z3="-1.221324"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.047039"
                              y3="2.02527"
                              z3="-0.974783"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.954911"
                              y3="1.143556"
                              z3="-2.576072"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.149069"
                              y3="2.803417"
                              z3="-1.545989"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.65891"
                              y3="0.972355"
                              z3="1.196581"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.408447"
                              y3="0.650846"
                              z3="2.887817"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.21424"
                              y3="-1.003452"
                              z3="1.848789"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.071205"
                              y3="-0.362896"
                              z3="2.54152"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.02522"
                              y3="-2.520437"
                              z3="1.276786"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.030139"
                              y3="1.33198"
                              z3="0.668954"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.469263"
                              y3="0.257148"
                              z3="-1.755279"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.339939"
                              y3="-2.178434"
                              z3="-1.385471"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1943,-.1745,-.7926;-2.5211,.3873,.4892;-2.0113,-.4936,1.4617;-1.4502,-1.646,.7851;-1.623,-1.4771,-.6034;-.2478,.1794,.2058;1.5099,.1998,1.5357;.7301,1.5388,-1.2213;2.047,2.0253,-.9748;.9549,1.1436,-2.5761;.1491,2.8034,-1.546;2.6589,.9724,1.1966;1.4084,.6508,2.8878;2.2142,-1.0035,1.8488;-2.0712,-.3629,2.5415;-1.0252,-2.5204,1.2768;-3.0301,1.332,.669;-2.4693,.2571,-1.7553;-1.3399,-2.1784,-1.3855;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.191418"
                              y3="-0.180763"
                              z3="-0.796208"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.521717"
                              y3="0.388586"
                              z3="0.481927"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.016037"
                              y3="-0.486765"
                              z3="1.461031"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.450726"
                              y3="-1.641734"
                              z3="0.792337"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.620709"
                              y3="-1.481748"
                              z3="-0.598074"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.247605"
                              y3="0.178844"
                              z3="0.205463"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.513483"
                              y3="0.192362"
                              z3="1.531021"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.726835"
                              y3="1.545566"
                              z3="-1.217021"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.043527"
                              y3="2.032562"
                              z3="-0.970092"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.950523"
                              y3="1.156225"
                              z3="-2.573665"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.143904"
                              y3="2.810818"
                              z3="-1.535755"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.660758"
                              y3="0.968491"
                              z3="1.194163"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.414968"
                              y3="0.634119"
                              z3="2.886407"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.220018"
                              y3="-1.012153"
                              z3="1.834139"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.079102"
                              y3="-0.349824"
                              z3="2.539852"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.027049"
                              y3="-2.513248"
                              z3="1.290226"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.031126"
                              y3="1.334426"
                              z3="0.654478"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.463777"
                              y3="0.245469"
                              z3="-1.762053"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.335549"
                              y3="-2.187842"
                              z3="-1.375047"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1914,-.1808,-.7962;-2.5217,.3886,.4819;-2.016,-.4868,1.461;-1.4507,-1.6417,.7923;-1.6207,-1.4817,-.5981;-.2476,.1788,.2055;1.5135,.1924,1.531;.7268,1.5456,-1.217;2.0435,2.0326,-.9701;.9505,1.1562,-2.5737;.1439,2.8108,-1.5358;2.6608,.9685,1.1942;1.415,.6341,2.8864;2.22,-1.0122,1.8341;-2.0791,-.3498,2.5399;-1.027,-2.5132,1.2902;-3.0311,1.3344,.6545;-2.4638,.2455,-1.7621;-1.3355,-2.1878,-1.375;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.188516"
                              y3="-0.187184"
                              z3="-0.799865"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.522289"
                              y3="0.389799"
                              z3="0.474499"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.020821"
                              y3="-0.479898"
                              z3="1.460246"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.451297"
                              y3="-1.637365"
                              z3="0.799565"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.618385"
                              y3="-1.486411"
                              z3="-0.59267"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.24736"
                              y3="0.178287"
                              z3="0.205158"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.517039"
                              y3="0.184928"
                              z3="1.526306"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.723555"
                              y3="1.552336"
                              z3="-1.212653"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.040165"
                              y3="2.039476"
                              z3="-0.965552"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.945633"
                              y3="1.169203"
                              z3="-2.571325"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.138975"
                              y3="2.818434"
                              z3="-1.524963"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.662608"
                              y3="0.96455"
                              z3="1.191703"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.421485"
                              y3="0.617493"
                              z3="2.884864"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.2257"
                              y3="-1.020784"
                              z3="1.819546"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.08702"
                              y3="-0.336672"
                              z3="2.538034"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.028891"
                              y3="-2.505927"
                              z3="1.303713"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.032016"
                              y3="1.336782"
                              z3="0.639829"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.458267"
                              y3="0.233602"
                              z3="-1.768821"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.331097"
                              y3="-2.197259"
                              z3="-1.364484"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1885,-.1872,-.7999;-2.5223,.3898,.4745;-2.0208,-.4799,1.4602;-1.4513,-1.6374,.7996;-1.6184,-1.4864,-.5927;-.2474,.1783,.2052;1.517,.1849,1.5263;.7236,1.5523,-1.2127;2.0402,2.0395,-.9656;.9456,1.1692,-2.5713;.139,2.8184,-1.525;2.6626,.9646,1.1917;1.4215,.6175,2.8849;2.2257,-1.0208,1.8195;-2.087,-.3367,2.538;-1.0289,-2.5059,1.3037;-3.032,1.3368,.6398;-2.4583,.2336,-1.7688;-1.3311,-2.1973,-1.3645;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.185639"
                              y3="-0.193681"
                              z3="-0.803492"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.522823"
                              y3="0.390968"
                              z3="0.467029"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.025583"
                              y3="-0.473008"
                              z3="1.459409"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.451862"
                              y3="-1.632931"
                              z3="0.806803"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.616055"
                              y3="-1.491058"
                              z3="-0.587208"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.247116"
                              y3="0.177742"
                              z3="0.204839"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.520574"
                              y3="0.177476"
                              z3="1.52153"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.72027"
                              y3="1.559133"
                              z3="-1.208239"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.036814"
                              y3="2.046376"
                              z3="-0.96096"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.940715"
                              y3="1.182267"
                              z3="-2.568927"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.134085"
                              y3="2.826076"
                              z3="-1.514065"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.664481"
                              y3="0.960527"
                              z3="1.189236"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.427986"
                              y3="0.600836"
                              z3="2.883189"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.231277"
                              y3="-1.029394"
                              z3="1.804898"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.094918"
                              y3="-0.323467"
                              z3="2.536113"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.030731"
                              y3="-2.498486"
                              z3="1.317207"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.032851"
                              y3="1.339052"
                              z3="0.625106"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.452785"
                              y3="0.221608"
                              z3="-1.775532"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.326639"
                              y3="-2.206647"
                              z3="-1.353805"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1856,-.1937,-.8035;-2.5228,.391,.467;-2.0256,-.473,1.4594;-1.4519,-1.6329,.8068;-1.6161,-1.4911,-.5872;-.2471,.1777,.2048;1.5206,.1775,1.5215;.7203,1.5591,-1.2082;2.0368,2.0464,-.961;.9407,1.1823,-2.5689;.1341,2.8261,-1.5141;2.6645,.9605,1.1892;1.428,.6008,2.8832;2.2313,-1.0294,1.8049;-2.0949,-.3235,2.5361;-1.0307,-2.4985,1.3172;-3.0329,1.3391,.6251;-2.4528,.2216,-1.7755;-1.3266,-2.2066,-1.3538;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.182789"
                              y3="-0.200256"
                              z3="-0.807091"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.523322"
                              y3="0.392093"
                              z3="0.459513"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.030322"
                              y3="-0.466087"
                              z3="1.45852"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.452423"
                              y3="-1.628425"
                              z3="0.814056"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.61372"
                              y3="-1.495689"
                              z3="-0.58168"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.246877"
                              y3="0.177216"
                              z3="0.204509"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.52409"
                              y3="0.170002"
                              z3="1.516689"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.716981"
                              y3="1.565961"
                              z3="-1.203779"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.033462"
                              y3="2.05329"
                              z3="-0.956297"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.935798"
                              y3="1.195411"
                              z3="-2.56646"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.129217"
                              y3="2.833734"
                              z3="-1.503078"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.666374"
                              y3="0.956428"
                              z3="1.186767"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.43448"
                              y3="0.584112"
                              z3="2.881388"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.236758"
                              y3="-1.037994"
                              z3="1.790158"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.102799"
                              y3="-0.310196"
                              z3="2.534087"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.032571"
                              y3="-2.490917"
                              z3="1.330717"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.033636"
                              y3="1.341237"
                              z3="0.610301"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.44733"
                              y3="0.209481"
                              z3="-1.782189"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.322171"
                              y3="-2.216008"
                              z3="-1.342999"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1828,-.2003,-.8071;-2.5233,.3921,.4595;-2.0303,-.4661,1.4585;-1.4524,-1.6284,.8141;-1.6137,-1.4957,-.5817;-.2469,.1772,.2045;1.5241,.17,1.5167;.717,1.566,-1.2038;2.0335,2.0533,-.9563;.9358,1.1954,-2.5665;.1292,2.8337,-1.5031;2.6664,.9564,1.1868;1.4345,.5841,2.8814;2.2368,-1.038,1.7902;-2.1028,-.3102,2.5341;-1.0326,-2.4909,1.3307;-3.0336,1.3412,.6103;-2.4473,.2095,-1.7822;-1.3222,-2.216,-1.343;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.179965"
                              y3="-0.206919"
                              z3="-0.810664"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.523784"
                              y3="0.393175"
                              z3="0.451944"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.035038"
                              y3="-0.459127"
                              z3="1.457577"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.452982"
                              y3="-1.623843"
                              z3="0.821331"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.611377"
                              y3="-1.500311"
                              z3="-0.576079"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.246644"
                              y3="0.176711"
                              z3="0.204166"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.527589"
                              y3="0.162497"
                              z3="1.511777"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.713687"
                              y3="1.572826"
                              z3="-1.199268"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.030106"
                              y3="2.060224"
                              z3="-0.951558"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.930881"
                              y3="1.208652"
                              z3="-2.563924"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.124368"
                              y3="2.841416"
                              z3="-1.49199"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.668286"
                              y3="0.952248"
                              z3="1.184295"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.440967"
                              y3="0.567301"
                              z3="2.879458"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.242145"
                              y3="-1.046591"
                              z3="1.775309"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.110666"
                              y3="-0.296846"
                              z3="2.531952"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.034411"
                              y3="-2.483212"
                              z3="1.344256"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.034372"
                              y3="1.343336"
                              z3="0.595397"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.441901"
                              y3="0.197203"
                              z3="-1.788796"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.317689"
                              y3="-2.225353"
                              z3="-1.332053"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.18,-.2069,-.8107;-2.5238,.3932,.4519;-2.035,-.4591,1.4576;-1.453,-1.6238,.8213;-1.6114,-1.5003,-.5761;-.2466,.1767,.2042;1.5276,.1625,1.5118;.7137,1.5728,-1.1993;2.0301,2.0602,-.9516;.9309,1.2087,-2.5639;.1244,2.8414,-1.492;2.6683,.9522,1.1843;1.441,.5673,2.8795;2.2421,-1.0466,1.7753;-2.1107,-.2968,2.532;-1.0344,-2.4832,1.3443;-3.0344,1.3433,.5954;-2.4419,.1972,-1.7888;-1.3177,-2.2254,-1.3321;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.177163"
                              y3="-0.213676"
                              z3="-0.814213"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.524209"
                              y3="0.394215"
                              z3="0.444313"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.039734"
                              y3="-0.452121"
                              z3="1.456578"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.45354"
                              y3="-1.619183"
                              z3="0.828635"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.609024"
                              y3="-1.504927"
                              z3="-0.570401"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.246418"
                              y3="0.176231"
                              z3="0.203813"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.531071"
                              y3="0.154957"
                              z3="1.50679"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.710384"
                              y3="1.579737"
                              z3="-1.194701"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.026747"
                              y3="2.067182"
                              z3="-0.946738"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.925954"
                              y3="1.222005"
                              z3="-2.561315"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.119536"
                              y3="2.849131"
                              z3="-1.480786"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.670221"
                              y3="0.947982"
                              z3="1.181815"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.447454"
                              y3="0.550393"
                              z3="2.877395"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.247438"
                              y3="-1.055194"
                              z3="1.760339"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.118523"
                              y3="-0.283403"
                              z3="2.529705"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.036253"
                              y3="-2.475362"
                              z3="1.357835"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.035059"
                              y3="1.34535"
                              z3="0.580381"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.436491"
                              y3="0.184761"
                              z3="-1.795359"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.313189"
                              y3="-2.234689"
                              z3="-1.320955"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1772,-.2137,-.8142;-2.5242,.3942,.4443;-2.0397,-.4521,1.4566;-1.4535,-1.6192,.8286;-1.609,-1.5049,-.5704;-.2464,.1762,.2038;1.5311,.155,1.5068;.7104,1.5797,-1.1947;2.0267,2.0672,-.9467;.926,1.222,-2.5613;.1195,2.8491,-1.4808;2.6702,.948,1.1818;1.4475,.5504,2.8774;2.2474,-1.0552,1.7603;-2.1185,-.2834,2.5297;-1.0363,-2.4754,1.3578;-3.0351,1.3454,.5804;-2.4365,.1848,-1.7954;-1.3132,-2.2347,-1.321;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.174383"
                              y3="-0.220537"
                              z3="-0.817741"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.524597"
                              y3="0.395211"
                              z3="0.436613"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.044412"
                              y3="-0.445064"
                              z3="1.455522"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.454098"
                              y3="-1.614439"
                              z3="0.835973"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.606659"
                              y3="-1.509541"
                              z3="-0.564638"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.246201"
                              y3="0.175777"
                              z3="0.203449"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.53454"
                              y3="0.147378"
                              z3="1.501721"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.707071"
                              y3="1.586699"
                              z3="-1.190074"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.023384"
                              y3="2.074163"
                              z3="-0.941837"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.921006"
                              y3="1.235487"
                              z3="-2.55863"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.114722"
                              y3="2.85689"
                              z3="-1.469448"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.672183"
                              y3="0.943621"
                              z3="1.179321"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.453946"
                              y3="0.53338"
                              z3="2.875194"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.252636"
                              y3="-1.063809"
                              z3="1.745239"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.126377"
                              y3="-0.269857"
                              z3="2.52734"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.038099"
                              y3="-2.467361"
                              z3="1.371464"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.035699"
                              y3="1.347274"
                              z3="0.565238"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.431098"
                              y3="0.172142"
                              z3="-1.801882"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.308666"
                              y3="-2.244023"
                              z3="-1.309695"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1744,-.2205,-.8177;-2.5246,.3952,.4366;-2.0444,-.4451,1.4555;-1.4541,-1.6144,.836;-1.6067,-1.5095,-.5646;-.2462,.1758,.2034;1.5345,.1474,1.5017;.7071,1.5867,-1.1901;2.0234,2.0742,-.9418;.921,1.2355,-2.5586;.1147,2.8569,-1.4694;2.6722,.9436,1.1793;1.4539,.5334,2.8752;2.2526,-1.0638,1.7452;-2.1264,-.2699,2.5273;-1.0381,-2.4674,1.3715;-3.0357,1.3473,.5652;-2.4311,.1721,-1.8019;-1.3087,-2.244,-1.3097;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.171621"
                              y3="-0.227507"
                              z3="-0.821249"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.524946"
                              y3="0.396162"
                              z3="0.428837"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.049072"
                              y3="-0.437952"
                              z3="1.454405"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.454658"
                              y3="-1.60961"
                              z3="0.843349"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.60428"
                              y3="-1.514158"
                              z3="-0.558787"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.245993"
                              y3="0.17535"
                              z3="0.203077"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.537996"
                              y3="0.139756"
                              z3="1.496567"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.703746"
                              y3="1.59372"
                              z3="-1.18538"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.02002"
                              y3="2.081167"
                              z3="-0.936852"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.916028"
                              y3="1.249112"
                              z3="-2.555869"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.109927"
                              y3="2.864701"
                              z3="-1.457959"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.674176"
                              y3="0.939157"
                              z3="1.176806"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.460449"
                              y3="0.516257"
                              z3="2.872851"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.257735"
                              y3="-1.072442"
                              z3="1.730003"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.134232"
                              y3="-0.256201"
                              z3="2.524854"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.039952"
                              y3="-2.459203"
                              z3="1.385153"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.036292"
                              y3="1.349108"
                              z3="0.549956"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.425716"
                              y3="0.159334"
                              z3="-1.808367"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.304114"
                              y3="-2.253361"
                              z3="-1.298263"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1716,-.2275,-.8212;-2.5249,.3962,.4288;-2.0491,-.438,1.4544;-1.4547,-1.6096,.8433;-1.6043,-1.5142,-.5588;-.246,.1754,.2031;1.538,.1398,1.4966;.7037,1.5937,-1.1854;2.02,2.0812,-.9369;.916,1.2491,-2.5559;.1099,2.8647,-1.458;2.6742,.9392,1.1768;1.4604,.5163,2.8729;2.2577,-1.0724,1.73;-2.1342,-.2562,2.5249;-1.04,-2.4592,1.3852;-3.0363,1.3491,.55;-2.4257,.1593,-1.8084;-1.3041,-2.2534,-1.2983;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.168877"
                              y3="-0.234593"
                              z3="-0.82474"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.525254"
                              y3="0.397067"
                              z3="0.420978"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.053716"
                              y3="-0.430779"
                              z3="1.453225"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.455223"
                              y3="-1.604694"
                              z3="0.850767"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.601887"
                              y3="-1.51878"
                              z3="-0.552841"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.245796"
                              y3="0.174954"
                              z3="0.202697"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.541441"
                              y3="0.132087"
                              z3="1.491322"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.700407"
                              y3="1.600802"
                              z3="-1.180616"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.016654"
                              y3="2.088195"
                              z3="-0.931779"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.911015"
                              y3="1.262892"
                              z3="-2.553026"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.105151"
                              y3="2.87257"
                              z3="-1.446305"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.6762"
                              y3="0.93459"
                              z3="1.174265"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.466965"
                              y3="0.499015"
                              z3="2.87036"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.262738"
                              y3="-1.081095"
                              z3="1.714618"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.142093"
                              y3="-0.242425"
                              z3="2.52224"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.041815"
                              y3="-2.450882"
                              z3="1.398909"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.036836"
                              y3="1.350849"
                              z3="0.534522"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.420342"
                              y3="0.146325"
                              z3="-1.814819"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.299532"
                              y3="-2.262707"
                              z3="-1.286648"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1689,-.2346,-.8247;-2.5253,.3971,.421;-2.0537,-.4308,1.4532;-1.4552,-1.6047,.8508;-1.6019,-1.5188,-.5528;-.2458,.175,.2027;1.5414,.1321,1.4913;.7004,1.6008,-1.1806;2.0167,2.0882,-.9318;.911,1.2629,-2.553;.1052,2.8726,-1.4463;2.6762,.9346,1.1743;1.467,.499,2.8704;2.2627,-1.0811,1.7146;-2.1421,-.2424,2.5222;-1.0418,-2.4509,1.3989;-3.0368,1.3508,.5345;-2.4203,.1463,-1.8148;-1.2995,-2.2627,-1.2866;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.166149"
                              y3="-0.241801"
                              z3="-0.828214"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.525522"
                              y3="0.397926"
                              z3="0.413031"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.058343"
                              y3="-0.423543"
                              z3="1.451979"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.455794"
                              y3="-1.599687"
                              z3="0.858231"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.599477"
                              y3="-1.523409"
                              z3="-0.546798"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.24561"
                              y3="0.174589"
                              z3="0.20231"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.544875"
                              y3="0.124372"
                              z3="1.485984"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.697055"
                              y3="1.60795"
                              z3="-1.175776"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.01329"
                              y3="2.095241"
                              z3="-0.926619"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.905953"
                              y3="1.276837"
                              z3="-2.5501"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.100399"
                              y3="2.880503"
                              z3="-1.434469"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.678259"
                              y3="0.929911"
                              z3="1.171691"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.473498"
                              y3="0.481656"
                              z3="2.867717"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.26764"
                              y3="-1.089771"
                              z3="1.699083"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.149961"
                              y3="-0.228526"
                              z3="2.519495"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.043691"
                              y3="-2.442393"
                              z3="1.412736"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.037334"
                              y3="1.352494"
                              z3="0.518929"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.414973"
                              y3="0.133106"
                              z3="-1.821237"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.294914"
                              y3="-2.272064"
                              z3="-1.274844"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1661,-.2418,-.8282;-2.5255,.3979,.413;-2.0583,-.4235,1.452;-1.4558,-1.5997,.8582;-1.5995,-1.5234,-.5468;-.2456,.1746,.2023;1.5449,.1244,1.486;.6971,1.6079,-1.1758;2.0133,2.0952,-.9266;.906,1.2768,-2.5501;.1004,2.8805,-1.4345;2.6783,.9299,1.1717;1.4735,.4817,2.8677;2.2676,-1.0898,1.6991;-2.15,-.2285,2.5195;-1.0437,-2.4424,1.4127;-3.0373,1.3525,.5189;-2.415,.1331,-1.8212;-1.2949,-2.2721,-1.2748;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.163437"
                              y3="-0.249134"
                              z3="-0.831671"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.525747"
                              y3="0.398734"
                              z3="0.404992"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.062955"
                              y3="-0.416245"
                              z3="1.450665"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.456375"
                              y3="-1.594589"
                              z3="0.86574"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.59705"
                              y3="-1.528046"
                              z3="-0.540655"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.245438"
                              y3="0.174257"
                              z3="0.201919"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.548299"
                              y3="0.116609"
                              z3="1.480549"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.693688"
                              y3="1.615167"
                              z3="-1.170856"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.00993"
                              y3="2.102302"
                              z3="-0.921372"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.900834"
                              y3="1.290958"
                              z3="-2.547086"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.095674"
                              y3="2.888506"
                              z3="-1.422437"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.680357"
                              y3="0.925115"
                              z3="1.169073"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.480052"
                              y3="0.464185"
                              z3="2.864916"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.272439"
                              y3="-1.098472"
                              z3="1.683399"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.157842"
                              y3="-0.214501"
                              z3="2.516613"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.045582"
                              y3="-2.433733"
                              z3="1.426637"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.037783"
                              y3="1.354039"
                              z3="0.50317"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.409606"
                              y3="0.119671"
                              z3="-1.827622"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.290259"
                              y3="-2.281433"
                              z3="-1.262845"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1634,-.2491,-.8317;-2.5257,.3987,.405;-2.063,-.4162,1.4507;-1.4564,-1.5946,.8657;-1.5971,-1.528,-.5407;-.2454,.1743,.2019;1.5483,.1166,1.4805;.6937,1.6152,-1.1709;2.0099,2.1023,-.9214;.9008,1.291,-2.5471;.0957,2.8885,-1.4224;2.6804,.9251,1.1691;1.4801,.4642,2.8649;2.2724,-1.0985,1.6834;-2.1578,-.2145,2.5166;-1.0456,-2.4337,1.4266;-3.0378,1.354,.5032;-2.4096,.1197,-1.8276;-1.2903,-2.2814,-1.2628;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.160737"
                              y3="-0.256596"
                              z3="-0.835111"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.525927"
                              y3="0.399491"
                              z3="0.396859"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.067553"
                              y3="-0.408884"
                              z3="1.449278"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.456968"
                              y3="-1.589402"
                              z3="0.873295"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.594605"
                              y3="-1.532693"
                              z3="-0.534411"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.24528"
                              y3="0.17396"
                              z3="0.201527"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.551714"
                              y3="0.108802"
                              z3="1.475015"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.690307"
                              y3="1.622452"
                              z3="-1.165851"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.006581"
                              y3="2.109367"
                              z3="-0.916042"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.895642"
                              y3="1.305262"
                              z3="-2.543982"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.090983"
                              y3="2.896583"
                              z3="-1.41019"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.682497"
                              y3="0.920196"
                              z3="1.166401"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.486632"
                              y3="0.446618"
                              z3="2.861951"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.277128"
                              y3="-1.107195"
                              z3="1.667572"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.165738"
                              y3="-0.200352"
                              z3="2.513589"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.047494"
                              y3="-2.424902"
                              z3="1.440611"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.038183"
                              y3="1.355479"
                              z3="0.48724"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.404235"
                              y3="0.106017"
                              z3="-1.833974"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.285564"
                              y3="-2.290813"
                              z3="-1.250647"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1607,-.2566,-.8351;-2.5259,.3995,.3969;-2.0676,-.4089,1.4493;-1.457,-1.5894,.8733;-1.5946,-1.5327,-.5344;-.2453,.174,.2015;1.5517,.1088,1.475;.6903,1.6225,-1.1659;2.0066,2.1094,-.916;.8956,1.3053,-2.544;.091,2.8966,-1.4102;2.6825,.9202,1.1664;1.4866,.4466,2.862;2.2771,-1.1072,1.6676;-2.1657,-.2004,2.5136;-1.0475,-2.4249,1.4406;-3.0382,1.3555,.4872;-2.4042,.106,-1.834;-1.2856,-2.2908,-1.2506;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.158051"
                              y3="-0.264187"
                              z3="-0.838534"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.526061"
                              y3="0.400194"
                              z3="0.388629"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.072135"
                              y3="-0.401462"
                              z3="1.447818"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.457577"
                              y3="-1.584126"
                              z3="0.880893"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.592143"
                              y3="-1.537347"
                              z3="-0.528065"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.245136"
                              y3="0.173698"
                              z3="0.201136"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.555121"
                              y3="0.100953"
                              z3="1.469381"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.686912"
                              y3="1.629807"
                              z3="-1.160757"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.003243"
                              y3="2.116435"
                              z3="-0.910627"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.890376"
                              y3="1.31975"
                              z3="-2.540784"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.086327"
                              y3="2.904733"
                              z3="-1.397722"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.684683"
                              y3="0.915152"
                              z3="1.163664"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.493241"
                              y3="0.428964"
                              z3="2.858816"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.281706"
                              y3="-1.115939"
                              z3="1.651607"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.17365"
                              y3="-0.186083"
                              z3="2.510419"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.049432"
                              y3="-2.415901"
                              z3="1.454656"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.038533"
                              y3="1.356812"
                              z3="0.471138"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.398861"
                              y3="0.092141"
                              z3="-1.84029"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.280828"
                              y3="-2.300201"
                              z3="-1.23825"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1581,-.2642,-.8385;-2.5261,.4002,.3886;-2.0721,-.4015,1.4478;-1.4576,-1.5841,.8809;-1.5921,-1.5373,-.5281;-.2451,.1737,.2011;1.5551,.101,1.4694;.6869,1.6298,-1.1608;2.0032,2.1164,-.9106;.8904,1.3197,-2.5408;.0863,2.9047,-1.3977;2.6847,.9152,1.1637;1.4932,.429,2.8588;2.2817,-1.1159,1.6516;-2.1736,-.1861,2.5104;-1.0494,-2.4159,1.4547;-3.0385,1.3568,.4711;-2.3989,.0921,-1.8403;-1.2808,-2.3002,-1.2383;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.155378"
                              y3="-0.271908"
                              z3="-0.841939"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.526146"
                              y3="0.400841"
                              z3="0.380305"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.076701"
                              y3="-0.393985"
                              z3="1.446281"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.458205"
                              y3="-1.578765"
                              z3="0.888531"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.589665"
                              y3="-1.542007"
                              z3="-0.521619"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.245009"
                              y3="0.173472"
                              z3="0.200747"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.558518"
                              y3="0.093066"
                              z3="1.463646"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.683504"
                              y3="1.637229"
                              z3="-1.155571"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.999925"
                              y3="2.123488"
                              z3="-0.905134"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.885019"
                              y3="1.334425"
                              z3="-2.537489"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.08172"
                              y3="2.91296"
                              z3="-1.385016"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.686916"
                              y3="0.909978"
                              z3="1.160851"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.499879"
                              y3="0.411248"
                              z3="2.855508"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.286163"
                              y3="-1.124699"
                              z3="1.63552"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.181578"
                              y3="-0.171701"
                              z3="2.5071"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.051399"
                              y3="-2.406733"
                              z3="1.468766"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.03883"
                              y3="1.35803"
                              z3="0.454867"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.39348"
                              y3="0.078044"
                              z3="-1.846567"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.276051"
                              y3="-2.309593"
                              z3="-1.225656"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1554,-.2719,-.8419;-2.5261,.4008,.3803;-2.0767,-.394,1.4463;-1.4582,-1.5788,.8885;-1.5897,-1.542,-.5216;-.245,.1735,.2007;1.5585,.0931,1.4636;.6835,1.6372,-1.1556;1.9999,2.1235,-.9051;.885,1.3344,-2.5375;.0817,2.913,-1.385;2.6869,.91,1.1609;1.4999,.4112,2.8555;2.2862,-1.1247,1.6355;-2.1816,-.1717,2.5071;-1.0514,-2.4067,1.4688;-3.0388,1.358,.4549;-2.3935,.078,-1.8466;-1.2761,-2.3096,-1.2257;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.152717"
                              y3="-0.279754"
                              z3="-0.845322"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.526182"
                              y3="0.40143"
                              z3="0.371886"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.08125"
                              y3="-0.386459"
                              z3="1.444664"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.458857"
                              y3="-1.573323"
                              z3="0.896202"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.587172"
                              y3="-1.546672"
                              z3="-0.515076"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.244898"
                              y3="0.173282"
                              z3="0.200366"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.561905"
                              y3="0.085151"
                              z3="1.457811"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.680086"
                              y3="1.644712"
                              z3="-1.150289"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.996632"
                              y3="2.130517"
                              z3="-0.899568"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.879564"
                              y3="1.349284"
                              z3="-2.534094"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.077166"
                              y3="2.921258"
                              z3="-1.372066"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.689199"
                              y3="0.904674"
                              z3="1.157948"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.50655"
                              y3="0.393496"
                              z3="2.852024"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.290498"
                              y3="-1.133469"
                              z3="1.619325"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.189523"
                              y3="-0.157219"
                              z3="2.503628"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.053402"
                              y3="-2.397403"
                              z3="1.482931"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.039073"
                              y3="1.359132"
                              z3="0.438432"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.388091"
                              y3="0.063735"
                              z3="-1.852801"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.271235"
                              y3="-2.318981"
                              z3="-1.21287"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1527,-.2798,-.8453;-2.5262,.4014,.3719;-2.0812,-.3865,1.4447;-1.4589,-1.5733,.8962;-1.5872,-1.5467,-.5151;-.2449,.1733,.2004;1.5619,.0852,1.4578;.6801,1.6447,-1.1503;1.9966,2.1305,-.8996;.8796,1.3493,-2.5341;.0772,2.9213,-1.3721;2.6892,.9047,1.1579;1.5066,.3935,2.852;2.2905,-1.1335,1.6193;-2.1895,-.1572,2.5036;-1.0534,-2.3974,1.4829;-3.0391,1.3591,.4384;-2.3881,.0637,-1.8528;-1.2712,-2.319,-1.2129;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.150067"
                              y3="-0.287722"
                              z3="-0.848682"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.526165"
                              y3="0.401957"
                              z3="0.363379"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.08578"
                              y3="-0.378892"
                              z3="1.442967"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.459538"
                              y3="-1.567806"
                              z3="0.903899"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.584664"
                              y3="-1.551337"
                              z3="-0.508442"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.244805"
                              y3="0.173129"
                              z3="0.199996"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.565282"
                              y3="0.077214"
                              z3="1.451881"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.676658"
                              y3="1.652253"
                              z3="-1.144911"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.993371"
                              y3="2.137507"
                              z3="-0.893938"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.873999"
                              y3="1.364319"
                              z3="-2.530596"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.072675"
                              y3="2.929625"
                              z3="-1.358864"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.691537"
                              y3="0.899237"
                              z3="1.15494"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.513258"
                              y3="0.375741"
                              z3="2.84836"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.294701"
                              y3="-1.142241"
                              z3="1.603047"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.197484"
                              y3="-0.142652"
                              z3="2.500002"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.055447"
                              y3="-2.387921"
                              z3="1.497138"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.03926"
                              y3="1.360112"
                              z3="0.421843"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.382691"
                              y3="0.049222"
                              z3="-1.858987"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.266379"
                              y3="-2.328355"
                              z3="-1.199901"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1501,-.2877,-.8487;-2.5262,.402,.3634;-2.0858,-.3789,1.443;-1.4595,-1.5678,.9039;-1.5847,-1.5513,-.5084;-.2448,.1731,.2;1.5653,.0772,1.4519;.6767,1.6523,-1.1449;1.9934,2.1375,-.8939;.874,1.3643,-2.5306;.0727,2.9296,-1.3589;2.6915,.8992,1.1549;1.5133,.3757,2.8484;2.2947,-1.1422,1.603;-2.1975,-.1427,2.5;-1.0554,-2.3879,1.4971;-3.0393,1.3601,.4218;-2.3827,.0492,-1.859;-1.2664,-2.3284,-1.1999;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.147429"
                              y3="-0.295804"
                              z3="-0.852016"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.526093"
                              y3="0.40242"
                              z3="0.354787"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.090291"
                              y3="-0.371295"
                              z3="1.441186"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.460253"
                              y3="-1.562223"
                              z3="0.911612"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.582148"
                              y3="-1.555997"
                              z3="-0.501723"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.244728"
                              y3="0.17301"
                              z3="0.19964"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.568649"
                              y3="0.069269"
                              z3="1.445858"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.673225"
                              y3="1.659842"
                              z3="-1.139434"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.99015"
                              y3="2.144442"
                              z3="-0.88825"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.868315"
                              y3="1.379522"
                              z3="-2.526993"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.068258"
                              y3="2.938054"
                              z3="-1.345403"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.693932"
                              y3="0.89367"
                              z3="1.151811"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.520004"
                              y3="0.358026"
                              z3="2.844516"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.298768"
                              y3="-1.151004"
                              z3="1.586714"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.205459"
                              y3="-0.12802"
                              z3="2.496219"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.057543"
                              y3="-2.3783"
                              z3="1.511371"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.039386"
                              y3="1.360966"
                              z3="0.405112"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.37728"
                              y3="0.034519"
                              z3="-1.865117"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.261492"
                              y3="-2.337707"
                              z3="-1.186761"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1474,-.2958,-.852;-2.5261,.4024,.3548;-2.0903,-.3713,1.4412;-1.4603,-1.5622,.9116;-1.5821,-1.556,-.5017;-.2447,.173,.1996;1.5686,.0693,1.4459;.6732,1.6598,-1.1394;1.9902,2.1444,-.8882;.8683,1.3795,-2.527;.0683,2.9381,-1.3454;2.6939,.8937,1.1518;1.52,.358,2.8445;2.2988,-1.151,1.5867;-2.2055,-.128,2.4962;-1.0575,-2.3783,1.5114;-3.0394,1.361,.4051;-2.3773,.0345,-1.8651;-1.2615,-2.3377,-1.1868;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.144803"
                              y3="-0.303994"
                              z3="-0.855321"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.525966"
                              y3="0.402818"
                              z3="0.346119"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.094779"
                              y3="-0.363679"
                              z3="1.439323"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.461005"
                              y3="-1.55658"
                              z3="0.919333"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.579623"
                              y3="-1.56065"
                              z3="-0.494927"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.244669"
                              y3="0.172927"
                              z3="0.199301"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.572002"
                              y3="0.061326"
                              z3="1.439748"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.66979"
                              y3="1.667471"
                              z3="-1.133858"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.986979"
                              y3="2.151303"
                              z3="-0.88252"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.862503"
                              y3="1.394883"
                              z3="-2.523285"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.06393"
                              y3="2.94654"
                              z3="-1.331679"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.696385"
                              y3="0.887974"
                              z3="1.148552"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.526785"
                              y3="0.340385"
                              z3="2.840493"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.302691"
                              y3="-1.159749"
                              z3="1.570352"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.213444"
                              y3="-0.11334"
                              z3="2.492281"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.059691"
                              y3="-2.36855"
                              z3="1.525614"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.039452"
                              y3="1.36169"
                              z3="0.388256"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.371859"
                              y3="0.019639"
                              z3="-1.871186"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.256575"
                              y3="-2.347024"
                              z3="-1.173463"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1448,-.304,-.8553;-2.526,.4028,.3461;-2.0948,-.3637,1.4393;-1.461,-1.5566,.9193;-1.5796,-1.5607,-.4949;-.2447,.1729,.1993;1.572,.0613,1.4397;.6698,1.6675,-1.1339;1.987,2.1513,-.8825;.8625,1.3949,-2.5233;.0639,2.9465,-1.3317;2.6964,.888,1.1486;1.5268,.3404,2.8405;2.3027,-1.1597,1.5704;-2.2134,-.1133,2.4923;-1.0597,-2.3685,1.5256;-3.0395,1.3617,.3883;-2.3719,.0196,-1.8712;-1.2566,-2.347,-1.1735;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.142189"
                              y3="-0.312279"
                              z3="-0.858593"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.525781"
                              y3="0.403147"
                              z3="0.337382"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.099242"
                              y3="-0.356056"
                              z3="1.437375"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.461799"
                              y3="-1.550889"
                              z3="0.927048"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.577096"
                              y3="-1.565287"
                              z3="-0.488064"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.244628"
                              y3="0.172877"
                              z3="0.198983"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.575343"
                              y3="0.053399"
                              z3="1.433558"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.666357"
                              y3="1.675128"
                              z3="-1.128185"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.983865"
                              y3="2.158071"
                              z3="-0.876756"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.856556"
                              y3="1.410385"
                              z3="-2.51947"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.0597"
                              y3="2.95507"
                              z3="-1.317694"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.698894"
                              y3="0.882157"
                              z3="1.145146"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.533603"
                              y3="0.322864"
                              z3="2.836293"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.306467"
                              y3="-1.168463"
                              z3="1.553993"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.221435"
                              y3="-0.098638"
                              z3="2.488187"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.0619"
                              y3="-2.358689"
                              z3="1.539845"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.039455"
                              y3="1.362281"
                              z3="0.371293"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.366428"
                              y3="0.004604"
                              z3="-1.877185"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.251635"
                              y3="-2.356292"
                              z3="-1.160026"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1422,-.3123,-.8586;-2.5258,.4031,.3374;-2.0992,-.3561,1.4374;-1.4618,-1.5509,.927;-1.5771,-1.5653,-.4881;-.2446,.1729,.199;1.5753,.0534,1.4336;.6664,1.6751,-1.1282;1.9839,2.1581,-.8768;.8566,1.4104,-2.5195;.0597,2.9551,-1.3177;2.6989,.8822,1.1451;1.5336,.3229,2.8363;2.3065,-1.1685,1.554;-2.2214,-.0986,2.4882;-1.0619,-2.3587,1.5398;-3.0395,1.3623,.3713;-2.3664,.0046,-1.8772;-1.2516,-2.3563,-1.16;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.139589"
                              y3="-0.32065"
                              z3="-0.861829"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.525537"
                              y3="0.403406"
                              z3="0.328589"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.103678"
                              y3="-0.348442"
                              z3="1.435344"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.46264"
                              y3="-1.545161"
                              z3="0.934744"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.574569"
                              y3="-1.569904"
                              z3="-0.481144"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.244603"
                              y3="0.17286"
                              z3="0.19869"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.578668"
                              y3="0.045503"
                              z3="1.427297"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.662931"
                              y3="1.682803"
                              z3="-1.122416"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.98082"
                              y3="2.164727"
                              z3="-0.870976"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.850463"
                              y3="1.426009"
                              z3="-2.515548"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.055585"
                              y3="2.963638"
                              z3="-1.303448"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.701466"
                              y3="0.87622"
                              z3="1.141579"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.540458"
                              y3="0.305515"
                              z3="2.831921"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.310086"
                              y3="-1.177135"
                              z3="1.537676"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.22943"
                              y3="-0.08394"
                              z3="2.483941"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.064174"
                              y3="-2.348734"
                              z3="1.554042"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.039393"
                              y3="1.362735"
                              z3="0.354247"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.360987"
                              y3="-0.010565"
                              z3="-1.883106"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.246677"
                              y3="-2.365498"
                              z3="-1.146471"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1396,-.3206,-.8618;-2.5255,.4034,.3286;-2.1037,-.3484,1.4353;-1.4626,-1.5452,.9347;-1.5746,-1.5699,-.4811;-.2446,.1729,.1987;1.5787,.0455,1.4273;.6629,1.6828,-1.1224;1.9808,2.1647,-.871;.8505,1.426,-2.5155;.0556,2.9636,-1.3034;2.7015,.8762,1.1416;1.5405,.3055,2.8319;2.3101,-1.1771,1.5377;-2.2294,-.0839,2.4839;-1.0642,-2.3487,1.554;-3.0394,1.3627,.3542;-2.361,-.0106,-1.8831;-1.2467,-2.3655,-1.1465;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.137002"
                              y3="-0.329093"
                              z3="-0.865024"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.525236"
                              y3="0.403592"
                              z3="0.319748"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.108084"
                              y3="-0.340851"
                              z3="1.433229"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.463531"
                              y3="-1.539406"
                              z3="0.942409"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.572047"
                              y3="-1.574495"
                              z3="-0.47418"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.244596"
                              y3="0.172874"
                              z3="0.198424"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.581975"
                              y3="0.037655"
                              z3="1.420973"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.659517"
                              y3="1.690483"
                              z3="-1.116554"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.977854"
                              y3="2.171246"
                              z3="-0.865197"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.844213"
                              y3="1.441741"
                              z3="-2.511519"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.051601"
                              y3="2.972233"
                              z3="-1.28894"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.704098"
                              y3="0.870171"
                              z3="1.137835"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.54735"
                              y3="0.288388"
                              z3="2.827382"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.313541"
                              y3="-1.185752"
                              z3="1.521438"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.237422"
                              y3="-0.069273"
                              z3="2.479545"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.066518"
                              y3="-2.338703"
                              z3="1.568182"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.039266"
                              y3="1.36305"
                              z3="0.337139"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.355538"
                              y3="-0.025843"
                              z3="-1.888942"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.241708"
                              y3="-2.374626"
                              z3="-1.132817"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.137,-.3291,-.865;-2.5252,.4036,.3197;-2.1081,-.3409,1.4332;-1.4635,-1.5394,.9424;-1.572,-1.5745,-.4742;-.2446,.1729,.1984;1.582,.0377,1.421;.6595,1.6905,-1.1166;1.9779,2.1712,-.8652;.8442,1.4417,-2.5115;.0516,2.9722,-1.2889;2.7041,.8702,1.1378;1.5474,.2884,2.8274;2.3135,-1.1858,1.5214;-2.2374,-.0693,2.4795;-1.0665,-2.3387,1.5682;-3.0393,1.3631,.3371;-2.3555,-.0258,-1.8889;-1.2417,-2.3746,-1.1328;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.135075"
                              y3="-0.335537"
                              z3="-0.867394"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.524929"
                              y3="0.403687"
                              z3="0.313034"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.111319"
                              y3="-0.335093"
                              z3="1.431571"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.464196"
                              y3="-1.535003"
                              z3="0.948198"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.570131"
                              y3="-1.577949"
                              z3="-0.468869"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.244566"
                              y3="0.172912"
                              z3="0.19818"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.584434"
                              y3="0.031678"
                              z3="1.416169"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.656918"
                              y3="1.696334"
                              z3="-1.112142"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.9756"
                              y3="2.176207"
                              z3="-0.860856"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.839438"
                              y3="1.453757"
                              z3="-2.508476"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.048583"
                              y3="2.978751"
                              z3="-1.277903"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.706117"
                              y3="0.865477"
                              z3="1.135061"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.552436"
                              y3="0.275416"
                              z3="2.823875"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.316019"
                              y3="-1.192306"
                              z3="1.509216"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.243358"
                              y3="-0.058146"
                              z3="2.476115"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.068277"
                              y3="-2.331014"
                              z3="1.578865"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.039088"
                              y3="1.363197"
                              z3="0.324165"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.351468"
                              y3="-0.037492"
                              z3="-1.893274"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.237939"
                              y3="-2.381487"
                              z3="-1.122406"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.1351,-.3355,-.8674;-2.5249,.4037,.313;-2.1113,-.3351,1.4316;-1.4642,-1.535,.9482;-1.5701,-1.5779,-.4689;-.2446,.1729,.1982;1.5844,.0317,1.4162;.6569,1.6963,-1.1121;1.9756,2.1762,-.8609;.8394,1.4538,-2.5085;.0486,2.9788,-1.2779;2.7061,.8655,1.1351;1.5524,.2754,2.8239;2.316,-1.1923,1.5092;-2.2434,-.0581,2.4761;-1.0683,-2.331,1.5789;-3.0391,1.3632,.3242;-2.3515,-.0375,-1.8933;-1.2379,-2.3815,-1.1224;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="-2.134983"
                              y3="-0.336125"
                              z3="-0.867547"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-2.524856"
                              y3="0.403703"
                              z3="0.312485"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-2.111438"
                              y3="-0.334512"
                              z3="1.431447"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-1.46414"
                              y3="-1.53454"
                              z3="0.948738"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-1.569957"
                              y3="-1.578243"
                              z3="-0.468362"/>
                        <atom elementType="Rh"
                              id="a6"
                              x3="-0.244523"
                              y3="0.172942"
                              z3="0.198016"/>
                        <atom elementType="P"
                              id="a7"
                              x3="1.584562"
                              y3="0.031011"
                              z3="1.415744"/>
                        <atom elementType="P"
                              id="a8"
                              x3="0.656676"
                              y3="1.696915"
                              z3="-1.111945"/>
                        <atom elementType="H"
                              id="a9"
                              x3="1.975264"
                              y3="2.176933"
                              z3="-0.860425"/>
                        <atom elementType="H"
                              id="a10"
                              x3="0.83933"
                              y3="1.454849"
                              z3="-2.508348"/>
                        <atom elementType="H"
                              id="a11"
                              x3="0.048136"
                              y3="2.979285"
                              z3="-1.277281"/>
                        <atom elementType="H"
                              id="a12"
                              x3="2.706217"
                              y3="0.865052"
                              z3="1.135227"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.552506"
                              y3="0.273826"
                              z3="2.823612"/>
                        <atom elementType="H"
                              id="a14"
                              x3="2.316211"
                              y3="-1.192992"
                              z3="1.508034"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-2.243629"
                              y3="-0.057054"
                              z3="2.475835"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-1.068252"
                              y3="-2.330218"
                              z3="1.579849"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-3.039033"
                              y3="1.363212"
                              z3="0.32308"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.351276"
                              y3="-0.038566"
                              z3="-1.893586"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-1.237613"
                              y3="-2.382089"
                              z3="-1.121443"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a18" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a17" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a6" order="S"/>
                        <bond atomRefs2="a4 a16" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a6" order="S"/>
                        <bond atomRefs2="a5 a19" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a6 a8" order="S"/>
                        <bond atomRefs2="a7 a12" order="S"/>
                        <bond atomRefs2="a7 a14" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                     </bondArray>
                     <formula concise="C5H11P2Rh">
                        <atomArray count="5 11 2 1" elementType="C H P Rh"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">224.906522</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.135,-.3361,-.8675;-2.5249,.4037,.3125;-2.1114,-.3345,1.4314;-1.4641,-1.5345,.9487;-1.57,-1.5782,-.4684;-.2445,.1729,.198;1.5846,.031,1.4157;.6567,1.6969,-1.1119;1.9753,2.1769,-.8604;.8393,1.4548,-2.5083;.0481,2.9793,-1.2773;2.7062,.8651,1.1352;1.5525,.2738,2.8236;2.3162,-1.193,1.508;-2.2436,-.0571,2.4758;-1.0683,-2.3302,1.5798;-3.039,1.3632,.3231;-2.3513,-.0386,-1.8936;-1.2376,-2.3821,-1.1214;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591488055332</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591532386816</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591536447568</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591537169240</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591538096520</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591539207934</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591540486840</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591541921709</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591543496750</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591545185057</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591546979868</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591548853235</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591550774566</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591552717597</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591554644208</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591556513897</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591558292285</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591559921963</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591561372544</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591562586646</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591563516938</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591564139282</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591564422047</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591564344617</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591563992753</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591563820228</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="19">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="19">C C C C C Rh P P H H H H H H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="19">0.014316 -0.007505 0.007912 0.009110 -0.009326 -1.268979 0.655857 0.656119 -0.048657 -0.049151 -0.049039 -0.048267 -0.049410 -0.049583 0.047420 0.047398 0.047478 0.046816 0.047491</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="19">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="19">C C C C C Rh P P H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="19">6.0794 6.0113 6.0451 6.0515 6.0102 17.4298 14.8159 14.8353 0.9962 0.9874 0.9874 0.9954 0.9884 0.9884 0.9555 0.9553 0.9563 0.9548 0.9564</array>
                     <array dataType="xsd:double" dictRef="o:za" size="19">6.0000 6.0000 6.0000 6.0000 6.0000 17.0000 15.0000 15.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="19">-0.0794 -0.0113 -0.0451 -0.0515 -0.0102 -0.4298 0.1841 0.1647 0.0038 0.0126 0.0126 0.0046 0.0116 0.0116 0.0445 0.0447 0.0437 0.0452 0.0436</array>
                     <array dataType="xsd:double" dictRef="o:va" size="19">3.7771 3.7503 3.7690 3.7717 3.7496 3.8140 3.9255 3.9261 0.9701 0.9505 0.9507 0.9700 0.9511 0.9509 0.9904 0.9906 0.9891 0.9912 0.9890</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="19">3.7771 3.7503 3.7690 3.7717 3.7496 3.8140 3.9255 3.9261 0.9701 0.9505 0.9507 0.9700 0.9511 0.9509 0.9904 0.9906 0.9891 0.9912 0.9890</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="19">-0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 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="23">1.1091 1.1246 0.4208 1.0051 1.2842 0.3011 1.0110 1.0540 0.3526 1.0081 1.2683 0.3643 1.0079 0.3006 1.0115 0.9451 0.9478 0.9363 0.9111 0.9106 0.9361 0.9101 0.9103</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="23">0 1 0 4 0 5 0 17 1 2 1 5 1 16 2 3 2 5 2 14 3 4 3 5 3 15 4 5 4 18 5 6 5 7 6 11 6 12 6 13 7 8 7 9 7 10</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="19">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="19">C C C C C Rh P P H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="19">-0.079449 -0.011292 -0.045130 -0.051473 -0.010187 -0.429798 0.184134 0.164696 0.003789 0.012572 0.012573 0.004591 0.011595 0.011559 0.044516 0.044745 0.043710 0.045202 0.043646</array>
                  </module>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="50">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</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="50">80.61 115.69 124.36 159.52 161.15 270.02 294.04 332.37 386.32 393.29 495.97 584.56 592.07 598.63 607.78 614.66 761.08 776.88 828.68 832.85 859.31 907.77 922.70 998.36 1033.01 1045.72 1059.33 1059.60 1075.02 1104.18 1109.34 1142.09 1143.19 1147.50 1269.91 1409.25 1421.46 1454.16 1497.86 2373.70 2377.47 2392.02 2398.11 2415.47 2417.15 3253.31 3259.45 3271.09 3286.37 3291.90</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="50">0.000026 0.002474 0.005213 0.000023 0.000902 0.000777 0.000900 0.000818 0.000596 0.005292 0.000016 0.000684 0.003884 0.000298 0.000325 0.000002 0.000063 0.004543 0.000017 0.000086 0.000528 0.000005 0.000184 0.000115 0.000850 0.014834 0.000022 0.000822 0.010707 0.000934 0.000003 0.002768 0.001089 0.000003 0.000000 0.000038 0.000339 0.000386 0.000032 0.001904 0.000365 0.007276 0.001907 0.000113 0.003841 0.000028 0.000011 0.000046 0.000003 0.000027</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="50">0.001559 -0.004050 -0.002640 0.013486 -0.021612 0.042725 -0.027182 0.056465 0.035859 -0.003858 0.001991 0.002084 -0.026381 -0.014243 0.001743 -0.009813 0.022237 0.013648 -0.028212 -0.008924 -0.004934 -0.004603 -0.016348 0.023010 -0.019678 -0.000565 -0.014425 0.014171 -0.032619 0.063461 0.001543 -0.003197 -0.001808 -0.011369 0.019549 0.013134 0.055344 0.028595 -0.001901 -0.006949 0.006166 -0.014557 -0.015584 -0.009022 0.000646 0.000161 0.001030 0.000764 -0.002354 0.006509 0.003835 -0.060779 -0.029143 -0.000049 0.001571 -0.003154 -0.002132 -0.008735 -0.003005 -0.000747 0.000538 0.012292 -0.019417 -0.000668 0.001917 0.001028 0.012005 0.006286 -0.000407 -0.007371 0.001562 -0.007618 -0.010100 0.023454 0.014057 -0.024827 0.053933 -0.106341 -0.000864 -0.003121 -0.003420 -0.026621 -0.006817 -0.008207 0.092759 0.045833 -0.001572 0.012822 -0.023379 -0.014939 -0.000848 0.001540 0.000443 -0.017462 0.019853 -0.045480 -0.026515 -0.017780 0.008338 -0.001531 -0.000659 0.000005 -0.000105 0.000136 0.000113 -0.002429 0.003939 0.004029 -0.011484 -0.011865 0.008141 -0.014756 0.000942 -0.012955 0.001346 -0.004701 -0.002780 0.016381 -0.033357 -0.022870 0.006186 -0.014870 -0.010270 -0.014251 0.040327 -0.073803 -0.040546 -0.012228 -0.010677 0.004171 0.006509 -0.007306 0.055690 0.027189 -0.000415 0.002474 -0.001297 0.004459 0.001262 -0.002782 -0.001241 -0.000427 0.003393 -0.005842 -0.000905 0.001134 0.000768 -0.004649 -0.002256 0.000060</matrix>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="50">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</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="50">89.04 116.70 125.62 161.08 163.50 270.23 293.77 332.55 386.13 393.04 497.04 585.79 592.70 599.21 608.14 615.14 763.35 779.29 828.60 832.82 861.13 909.36 924.13 998.40 1033.11 1045.98 1059.71 1059.96 1075.28 1104.32 1109.48 1142.35 1143.02 1146.33 1270.66 1407.60 1420.13 1452.89 1496.78 2371.32 2374.29 2389.38 2395.21 2415.04 2416.77 3249.26 3255.07 3266.71 3281.80 3287.39</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="50">0.000051 0.002451 0.005166 0.000915 0.000013 0.000769 0.000896 0.000822 0.000584 0.005304 0.000017 0.000679 0.003875 0.000292 0.000320 0.000002 0.000062 0.004525 0.000017 0.000089 0.000530 0.000005 0.000184 0.000114 0.000848 0.014822 0.000197 0.000655 0.010705 0.000933 0.000004 0.002778 0.001027 0.000068 0.000000 0.000037 0.000340 0.000386 0.000032 0.002115 0.000155 0.007414 0.001850 0.000209 0.003689 0.000027 0.000011 0.000046 0.000003 0.000027</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="50">-0.002589 0.005644 0.003596 0.013061 -0.020752 0.043010 -0.027234 0.056419 0.035234 -0.026676 -0.014113 0.001947 -0.001167 0.002948 0.001596 -0.009314 0.022249 0.013676 -0.028292 -0.008566 -0.004678 -0.004551 -0.016337 0.023111 -0.019665 -0.000981 -0.014006 0.014308 -0.032656 0.063504 0.001629 -0.003397 -0.001624 -0.010817 0.019738 0.013119 0.055571 0.028027 -0.001311 -0.004445 0.007529 -0.014668 -0.015450 -0.009016 0.000664 0.000326 0.001021 0.000853 -0.002072 0.006583 0.003813 -0.060734 -0.028928 0.000032 0.001574 -0.003192 -0.002048 -0.008890 -0.003174 -0.000622 0.000491 0.012301 -0.019442 -0.000566 0.001930 0.001153 0.011985 0.006340 -0.000383 -0.007329 0.001335 -0.007670 -0.010040 0.023353 0.014215 -0.024559 0.054246 -0.106191 -0.011120 -0.005433 -0.006604 0.024265 0.005090 0.006339 0.092792 0.045752 -0.001215 0.012591 -0.023485 -0.014921 -0.001102 0.001659 0.000527 -0.017272 0.020047 -0.045580 -0.025723 -0.017320 0.008085 -0.007328 -0.003718 0.000303 -0.000102 0.000151 0.000101 -0.002455 0.004072 0.003817 -0.011726 -0.011791 0.007992 -0.014493 0.001066 -0.013213 0.001385 -0.004716 -0.002821 0.017446 -0.036415 -0.022012 0.004897 -0.009646 -0.006191 -0.018091 0.037766 -0.075238 -0.039460 -0.016837 -0.003090 -0.012598 -0.001845 -0.006867 0.053895 0.027853 -0.002834 0.002453 -0.001274 0.004438 0.001253 -0.002815 -0.001200 -0.000443 0.003375 -0.005883 -0.000973 0.001093 0.000800 -0.004666 -0.002250 0.000060</matrix>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="50">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</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="50">89.05 116.70 125.63 161.10 163.50 270.16 293.91 332.54 386.13 393.05 497.07 585.71 592.71 599.23 608.20 615.14 763.35 779.30 828.59 832.81 861.12 909.39 924.11 998.37 1033.12 1045.99 1059.67 1059.99 1075.28 1104.32 1109.48 1142.35 1143.01 1146.30 1270.66 1407.50 1420.21 1452.77 1496.81 2371.31 2374.28 2389.37 2395.20 2415.03 2416.76 3249.27 3255.03 3266.72 3281.77 3287.41</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="50">0.000052 0.002452 0.005166 0.000914 0.000012 0.000767 0.000898 0.000820 0.000584 0.005305 0.000017 0.000680 0.003875 0.000291 0.000320 0.000003 0.000063 0.004525 0.000017 0.000090 0.000529 0.000005 0.000184 0.000114 0.000849 0.014821 0.000225 0.000625 0.010704 0.000935 0.000005 0.002777 0.001024 0.000071 0.000000 0.000037 0.000340 0.000384 0.000033 0.002116 0.000155 0.007414 0.001850 0.000207 0.003691 0.000027 0.000011 0.000046 0.000003 0.000027</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="50">-0.002483 0.005641 0.003718 0.013218 -0.021087 0.042804 -0.027106 0.056210 0.035656 -0.026674 -0.014116 0.001935 -0.001026 0.003003 0.001541 -0.008611 0.022366 0.013872 -0.028620 -0.007864 -0.004170 0.004440 0.016351 -0.023082 -0.019668 -0.000978 -0.013992 0.014475 -0.032999 0.063294 -0.001679 0.003421 0.001476 -0.011295 0.019309 0.013389 0.055491 0.028175 -0.001217 -0.004593 0.007714 -0.014515 -0.015245 -0.009349 0.000480 0.000695 0.001126 0.001008 -0.001779 0.006697 0.003851 -0.060763 -0.028852 0.000105 0.001575 -0.003127 -0.002079 -0.008998 -0.002975 -0.000476 -0.000387 -0.012368 0.019382 -0.000422 0.001966 0.001173 0.011941 0.006458 -0.000306 -0.007318 0.001435 -0.007620 -0.009506 0.023500 0.014354 -0.024875 0.054771 -0.105843 -0.012101 -0.005269 -0.007143 0.023840 0.004906 0.005693 0.092740 0.045850 -0.001179 0.013099 -0.023129 -0.015100 -0.001208 0.001738 0.000298 -0.017403 0.020272 -0.045418 -0.025661 -0.017322 0.008116 -0.007486 -0.003814 0.000307 -0.000095 0.000146 0.000086 -0.002486 0.003697 0.004190 -0.011593 -0.012141 0.007661 -0.014423 0.001133 -0.013222 0.001017 -0.004855 -0.002885 0.017446 -0.036285 -0.022246 0.004940 -0.009643 -0.006107 -0.018268 0.038136 -0.075006 -0.039476 -0.016803 -0.003085 -0.012522 -0.001769 -0.006853 0.053897 0.027904 -0.002799 0.002418 -0.001202 0.004468 0.001256 -0.002929 -0.000976 -0.000445 0.003356 -0.005880 -0.001084 0.001043 0.000806 -0.004669 -0.002226 0.000077</matrix>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="50">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</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="50">89.05 116.68 125.63 161.11 163.50 270.06 294.12 332.50 386.16 393.07 497.12 585.61 592.72 599.26 608.29 615.12 763.35 779.31 828.59 832.81 861.11 909.43 924.07 998.36 1033.13 1046.00 1059.62 1060.03 1075.29 1104.33 1109.49 1142.35 1143.01 1146.30 1270.66 1407.42 1420.38 1452.63 1496.87 2371.31 2374.28 2389.37 2395.20 2415.01 2416.73 3249.31 3254.99 3266.75 3281.74 3287.42</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="50">0.000053 0.002453 0.005165 0.000914 0.000012 0.000764 0.000902 0.000817 0.000581 0.005307 0.000017 0.000681 0.003873 0.000291 0.000320 0.000004 0.000064 0.004524 0.000016 0.000091 0.000528 0.000005 0.000185 0.000113 0.000851 0.014820 0.000240 0.000608 0.010703 0.000937 0.000005 0.002777 0.001024 0.000071 0.000000 0.000038 0.000341 0.000382 0.000034 0.002116 0.000155 0.007414 0.001850 0.000206 0.003694 0.000027 0.000011 0.000046 0.000003 0.000027</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="50">0.002400 -0.005655 -0.003843 -0.013361 0.021405 -0.042613 0.026979 -0.056006 -0.036065 0.026674 0.014115 -0.001920 0.000878 -0.003056 -0.001473 0.007914 -0.022458 -0.014053 0.028935 0.007197 0.003639 0.004285 0.016348 -0.023057 0.019657 0.001001 0.013929 -0.014658 0.033342 -0.063090 -0.001727 0.003432 0.001323 0.011743 -0.018890 -0.013650 -0.055415 -0.028309 0.001123 0.004727 -0.007889 0.014360 0.015038 0.009670 -0.000309 -0.001057 -0.001230 -0.001173 0.001472 -0.006817 -0.003889 0.060792 0.028779 -0.000190 -0.001567 0.003047 0.002094 0.009110 0.002779 0.000319 -0.000261 -0.012422 0.019325 0.000276 -0.001993 -0.001194 -0.011902 -0.006575 0.000228 0.007275 -0.001533 0.007579 0.008985 -0.023656 -0.014505 0.025216 -0.055284 0.105489 0.012586 0.004997 0.007530 -0.023617 -0.004872 -0.005143 -0.092684 -0.045945 0.001154 -0.013559 0.022804 0.015264 0.001327 -0.001792 -0.000088 0.017492 -0.020529 0.045272 0.025670 0.017310 -0.008059 0.007504 0.003835 -0.000307 0.000096 -0.000147 -0.000082 0.002490 -0.003310 -0.004526 0.011490 0.012465 -0.007314 0.014323 -0.001218 0.013239 -0.000659 0.004999 0.002956 -0.017418 0.036199 0.022415 0.004982 -0.009614 -0.006112 0.018429 -0.038495 0.074781 0.039499 0.016733 0.003092 0.012491 0.001714 0.006841 -0.053897 -0.027954 0.002773 -0.002380 0.001128 -0.004494 -0.001262 0.003039 0.000766 0.000457 -0.003341 0.005865 0.001200 -0.000995 -0.000817 0.004668 0.002205 -0.000090</matrix>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="50">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</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="50">89.06 116.67 125.63 161.11 163.49 269.92 294.39 332.46 386.19 393.08 497.18 585.48 592.73 599.29 608.40 615.10 763.35 779.33 828.58 832.81 861.10 909.48 924.02 998.34 1033.14 1046.01 1059.57 1060.07 1075.29 1104.34 1109.49 1142.35 1143.01 1146.30 1270.66 1407.31 1420.59 1452.45 1496.96 2371.31 2374.27 2389.37 2395.20 2414.98 2416.70 3249.35 3254.93 3266.78 3281.70 3287.44</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="50">0.000053 0.002454 0.005165 0.000914 0.000012 0.000762 0.000907 0.000814 0.000577 0.005311 0.000016 0.000683 0.003872 0.000290 0.000319 0.000006 0.000065 0.004523 0.000016 0.000092 0.000527 0.000006 0.000186 0.000112 0.000853 0.014819 0.000244 0.000602 0.010700 0.000940 0.000005 0.002778 0.001022 0.000072 0.000000 0.000038 0.000341 0.000379 0.000036 0.002118 0.000153 0.007413 0.001849 0.000204 0.003698 0.000027 0.000012 0.000045 0.000003 0.000027</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
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               </module>
               <module cmlx:templateRef="irspectrum">
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                          dictRef="cc:displacement"
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               </module>
               <module cmlx:templateRef="irspectrum">
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               </module>
               <module cmlx:templateRef="orbitalenergies">
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                            size="192"
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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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-0.000235 0.000129 -0.000103 0.000062 -0.000008 0.000123 0.000044 0.000053 0.000044 -0.000157 0.000230 -0.000091 0.000199 -0.073450 0.154445 0.589400 0.011094 -0.021741 0.012126 -0.294608 0.549644 0.003773 -0.003829 0.004684 -0.029525 -0.144255 0.350226 0.284356 0.005445 -0.008930 0.023587 0.014075 -0.025829 -0.000132 0.003627 -0.007170 -0.027954 -0.009270 0.017332 -0.016359 -0.022611 0.056746 0.045778 -0.000108 -0.000075 -0.000010 -0.000021 -0.000007 0.000018 -0.000028 0.000006 -0.000002 0.000214 0.000052 0.000034 0.000152 0.000166 0.000049 0.000248 -0.000002 -0.000165 0.000176 0.000120 -0.000065 0.000283 -0.000063 -0.000069 0.000157 0.000155 0.000056 -0.036008 0.076494 0.287794 0.091873 -0.180779 0.146410 -0.143107 0.267842 0.002804 -0.049460 0.071423 -0.237224 0.252054 -0.610734 -0.496018</matrix>
                  </module>
               </property>
               <property dictRef="cc:irspectrum">
                  <module cmlx:templateRef="irspectrum">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="51">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</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="51">13.46 89.59 116.35 125.73 159.97 163.00 266.70 301.14 331.17 386.50 392.76 498.65 582.13 592.41 598.92 611.92 613.64 763.16 779.65 828.41 832.78 860.87 911.19 922.52 997.77 1033.46 1046.10 1058.87 1060.46 1075.16 1104.76 1109.64 1142.33 1142.97 1146.11 1270.63 1405.08 1426.08 1446.99 1498.98 2371.65 2374.19 2389.50 2395.25 2414.17 2415.80 3251.26 3252.59 3267.68 3280.74 3287.88</array>
                     <array dataType="xsd:double" dictRef="o:t2" size="51">0.000063 0.000086 0.002473 0.005155 0.000920 0.000001 0.000704 0.001030 0.000726 0.000333 0.005552 0.000011 0.000723 0.003847 0.000274 0.000326 0.000013 0.000094 0.004504 0.000000 0.000119 0.000499 0.000000 0.000212 0.000079 0.000927 0.014826 0.000103 0.000687 0.010620 0.001049 0.000024 0.002806 0.000948 0.000088 0.000000 0.000031 0.000389 0.000291 0.000072 0.002270 0.000002 0.007425 0.001786 0.000082 0.003869 0.000012 0.000032 0.000037 0.000008 0.000024</array>
                     <matrix cols="3"
                             dataType="xsd:double"
                             dictRef="cc:displacement"
                             rows="51">0.002451 -0.004216 0.006297 -0.001885 0.007212 0.005501 0.014685 -0.026086 0.039710 -0.024713 0.051803 0.043136 -0.026895 -0.013999 0.000649 -0.000190 -0.000717 0.000709 -0.001208 0.021947 0.014855 0.030608 0.005474 -0.007943 0.008002 -0.014168 0.021466 -0.014997 -0.010306 0.001420 -0.022322 0.038921 -0.059484 0.001026 -0.001765 0.002610 -0.016316 0.014534 0.015684 -0.054310 -0.029954 0.000222 0.004813 -0.008744 0.013217 0.013126 0.012010 0.003028 -0.001162 0.001843 -0.002812 -0.002633 -0.008217 -0.004417 0.060458 0.028958 -0.003212 -0.000067 0.000220 -0.000373 0.010441 0.001362 -0.002928 -0.006445 0.011808 -0.017845 -0.000064 0.000229 -0.000402 0.011880 0.008362 0.001033 -0.002680 0.004689 -0.007066 -0.002107 0.024993 0.017250 -0.035601 0.064114 -0.097198 -0.002931 0.005393 -0.008066 0.024296 0.009489 -0.002523 -0.091263 -0.047825 0.001900 -0.020179 0.017187 0.018601 0.001806 -0.002535 0.003741 -0.015458 0.027915 -0.042285 0.027715 0.013337 -0.001241 -0.008326 -0.004257 0.000244 -0.000059 0.000078 -0.000103 -0.001603 0.002926 -0.004439 -0.014895 -0.012617 -0.002754 -0.005097 0.008944 -0.013601 0.003144 0.007061 0.003499 -0.017317 0.034269 0.028218 0.000280 0.000150 0.001477 -0.025256 0.045092 -0.068945 0.037851 0.018699 -0.002021 0.005127 -0.003106 0.006757 -0.055097 -0.028814 0.001717 -0.000266 -0.003246 -0.001335 0.001698 -0.002726 0.004678 -0.001720 0.003198 -0.004867 0.002523 -0.000518 -0.001236 0.004525 0.001949 -0.000382</matrix>
                  </module>
               </property>
            </propertyList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-2.134989"
                        y3="-0.336127"
                        z3="-0.867543"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-2.524855"
                        y3="0.403707"
                        z3="0.312489"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-2.111427"
                        y3="-0.334502"
                        z3="1.431451"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-1.464131"
                        y3="-1.534532"
                        z3="0.948744"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-1.569958"
                        y3="-1.578242"
                        z3="-0.468356"/>
                  <atom elementType="Rh"
                        id="a6"
                        x3="-0.244523"
                        y3="0.172945"
                        z3="0.198005"/>
                  <atom elementType="P"
                        id="a7"
                        x3="1.584555"
                        y3="0.030998"
                        z3="1.415738"/>
                  <atom elementType="P"
                        id="a8"
                        x3="0.656675"
                        y3="1.696919"
                        z3="-1.111959"/>
                  <atom elementType="H"
                        id="a9"
                        x3="1.975247"
                        y3="2.176968"
                        z3="-0.860407"/>
                  <atom elementType="H"
                        id="a10"
                        x3="0.839375"
                        y3="1.454845"
                        z3="-2.508355"/>
                  <atom elementType="H"
                        id="a11"
                        x3="0.048113"
                        y3="2.979275"
                        z3="-1.277322"/>
                  <atom elementType="H"
                        id="a12"
                        x3="2.706205"
                        y3="0.86506"
                        z3="1.135267"/>
                  <atom elementType="H"
                        id="a13"
                        x3="1.552476"
                        y3="0.273769"
                        z3="2.823614"/>
                  <atom elementType="H"
                        id="a14"
                        x3="2.316217"
                        y3="-1.192999"
                        z3="1.508002"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-2.243611"
                        y3="-0.057039"
                        z3="2.475839"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-1.068238"
                        y3="-2.330207"
                        z3="1.579856"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-3.039031"
                        y3="1.363215"
                        z3="0.323083"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-2.351287"
                        y3="-0.038572"
                        z3="-1.893581"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-1.237614"
                        y3="-2.38209"
                        z3="-1.121435"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a18" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
               </bondArray>
               <formula concise="C5H11P2Rh">
                  <atomArray count="5 11 2 1" elementType="C H P Rh"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">224.906522</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C5H5.2H3P.Rh/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/rC5H11P2Rh/c6-8(7)1-2(8)4(8)5(8)3(1)8/h1-5H,6-7H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,5,3,4;7;8;6/E:(1,2,3,4,5);;;/CRV:1.3,2.3,3.3,4.3,5.3;;;/rA:19nCCCCCRhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s1s4;s1s2s3s4s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-2.135,-.3361,-.8675;-2.5249,.4037,.3125;-2.1114,-.3345,1.4315;-1.4641,-1.5345,.9487;-1.57,-1.5782,-.4684;-.2445,.1729,.198;1.5846,.031,1.4157;.6567,1.6969,-1.112;1.9752,2.177,-.8604;.8394,1.4548,-2.5084;.0481,2.9793,-1.2773;2.7062,.8651,1.1353;1.5525,.2738,2.8236;2.3162,-1.193,1.508;-2.2436,-.057,2.4758;-1.0682,-2.3302,1.5799;-3.039,1.3632,.3231;-2.3513,-.0386,-1.8936;-1.2376,-2.3821,-1.1214;/R:/0/N:1,2,5,3,4,7,8,6/E:(1,2,3,4,5)(6,7)/CRV:6.4,7.4,8.7</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">-989.56940582</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">669.26634211</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-1658.83574793</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-2734.32929517</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1075.49354724</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-1904.97424089</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">915.40483507</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.08101833</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">43.999992233305</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">43.999992233305</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">87.999984466610</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-63.962205969512</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-3.252418577386</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-67.214624546898</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022082237</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022100922</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44163614</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44069193</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">0.01217505</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417695</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04643935</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44069193</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.04643935</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-989.48713128</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.10440111</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022096852</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44169465</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44075045</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">0.01210684</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417745</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04637164</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022096895</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44169577</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44075156</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">0.01210644</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417744</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04637122</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022097061</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44169653</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44075232</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">0.01210611</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417742</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04637087</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022097233</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44169751</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44075330</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">0.01210581</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417740</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04637055</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022097407</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44169868</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44075448</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">0.01210555</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417738</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04637027</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022097583</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44170006</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44075585</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">0.01210532</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417737</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04637004</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022097763</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44170162</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44075741</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">0.01210515</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417735</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04636985</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022097943</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44170334</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44075913</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">0.01210503</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417734</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04636971</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022098125</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44170522</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44076101</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">0.01210494</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417733</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04636962</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022098307</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44170723</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44076302</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">0.01210492</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417732</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04636959</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022098489</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44170934</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.44076513</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">0.01210495</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417732</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04636961</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022098672</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44076729</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43982308</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">0.01496280</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417731</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04922746</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022098854</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44076947</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43982526</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">0.01477057</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417731</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04903523</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022099034</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44077164</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43982743</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">0.01466806</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417731</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04893271</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022099213</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44077375</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43982954</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">0.01459917</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417731</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04886382</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022099389</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44077574</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983153</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">0.01454806</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417731</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04881272</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022099558</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44077754</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983333</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">0.01450295</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417731</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04876760</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022099719</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44077913</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983492</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">0.01447240</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417731</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04873706</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022099872</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44078042</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983621</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">0.01444805</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417731</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04871271</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022100011</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44078139</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983718</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">0.01442888</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417732</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04869354</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022100134</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44078200</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983779</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">0.01441448</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417732</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04867914</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022100239</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44078222</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983802</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">0.01440440</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417733</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04866907</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022100307</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44078179</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983758</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">0.01440534</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417734</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04867002</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022100341</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44078135</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983714</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">0.01441188</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417735</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04867658</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="192">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</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="192">2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="192"
                            units="nonsi:electronvolt">-2101.5204 -2101.5189 -278.7135 -278.7125 -278.5522 -278.5384 -278.4134 -180.5835 -180.5826 -129.9762 -129.9750 -129.9615 -129.9605 -129.9149 -129.9144 -88.2462 -54.5235 -54.3140 -53.3076 -24.3531 -19.5826 -19.4415 -18.4997 -18.1138 -14.8942 -14.8732 -14.5905 -11.7120 -11.3819 -11.2818 -11.1493 -10.9709 -10.9170 -10.6255 -10.4642 -10.4350 -9.7210 -9.5402 -7.8702 -7.1426 -7.1288 -6.4107 -5.7077 -4.6544 -0.4693 0.5513 0.8226 1.1428 1.2897 1.7198 1.9216 1.9633 2.0525 2.1713 2.3579 3.6605 3.8110 3.9728 4.0911 4.3663 4.6406 5.6830 5.8843 6.3875 7.3821 8.5473 8.7506 8.8969 9.1591 9.3645 9.3747 9.7499 10.5389 10.7578 10.9224 10.9382 11.1898 11.7592 11.8641 12.9005 13.2668 13.4889 13.9586 14.6472 14.6605 15.1313 15.2669 15.6382 16.6168 16.8642 17.1745 17.3181 17.3810 18.0089 18.0350 18.5047 19.0704 19.1595 19.2684 19.4776 19.9940 20.1502 20.3897 20.3951 21.2623 21.3792 21.9049 22.1124 22.5460 22.7892 23.0032 24.9251 25.1330 26.1162 26.1464 26.4742 28.1383 28.3057 28.5962 30.1222 30.3836 30.8631 31.6775 35.1653 35.4540 36.7447 36.8819 37.9480 37.9528 38.6970 40.3427 40.5538 41.3748 41.4151 41.8542 42.6167 44.6115 44.8578 45.8500 46.2075 46.6278 46.8421 47.0405 47.4199 47.6848 47.7134 48.0401 48.9731 49.0314 49.4748 50.4970 51.5462 54.4778 54.5601 54.9440 55.7245 55.9258 56.6851 57.5183 57.7889 58.9333 59.0287 59.6775 59.7488 59.9405 60.6083 60.7378 60.7451 61.1750 61.2549 61.5369 61.6787 62.0968 62.9209 63.2921 64.6866 66.1716 67.7463 68.7796 68.8701 72.5193 72.7676 72.8899 74.7350 74.8601 75.4587 76.9620 77.5077 86.2791 93.4872 93.6222 1330.5764</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="19">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="19">C C C C C Rh P P H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="19">-0.069583 -0.021640 -0.021750 -0.069137 -0.008439 -0.431020 0.175362 0.175436 0.004004 0.012101 0.011826 0.003936 0.011876 0.012071 0.042601 0.043841 0.042557 0.043784 0.042172</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="19">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="19">C C C C C Rh P P H H H H H H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="19">0.012738 0.001243 0.001361 0.012755 -0.012347 -1.267980 0.656381 0.656214 -0.048513 -0.049629 -0.049144 -0.048542 -0.049082 -0.049650 0.046968 0.046614 0.046958 0.046599 0.047055</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="19">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="19">C C C C C Rh P P H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="19">6.0696 6.0216 6.0218 6.0691 6.0084 17.4310 14.8246 14.8246 0.9960 0.9879 0.9882 0.9961 0.9881 0.9879 0.9574 0.9562 0.9574 0.9562 0.9578</array>
                     <array dataType="xsd:double" dictRef="o:za" size="19">6.0000 6.0000 6.0000 6.0000 6.0000 17.0000 15.0000 15.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="19">-0.0696 -0.0216 -0.0218 -0.0691 -0.0084 -0.4310 0.1754 0.1754 0.0040 0.0121 0.0118 0.0039 0.0119 0.0121 0.0426 0.0438 0.0426 0.0438 0.0422</array>
                     <array dataType="xsd:double" dictRef="o:va" size="19">3.7766 3.7570 3.7571 3.7764 3.7486 3.8162 3.9280 3.9275 0.9700 0.9502 0.9513 0.9700 0.9514 0.9501 0.9898 0.9912 0.9897 0.9912 0.9888</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="19">3.7766 3.7570 3.7571 3.7764 3.7486 3.8162 3.9280 3.9275 0.9700 0.9502 0.9513 0.9700 0.9514 0.9501 0.9898 0.9912 0.9897 0.9912 0.9888</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="19">0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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="23">1.0684 1.1946 0.4030 1.0076 1.3136 0.3149 1.0104 1.0680 0.3153 1.0104 1.1947 0.4031 1.0076 0.3021 1.0140 0.9483 0.9478 0.9363 0.9115 0.9098 0.9363 0.9099 0.9114</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="23">0 1 0 4 0 5 0 17 1 2 1 5 1 16 2 3 2 5 2 14 3 4 3 5 3 15 4 5 4 18 5 6 5 7 6 11 6 12 6 13 7 8 7 9 7 10</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022100350</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-989.591563886381</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-4.29216 4.87076 0.57860 -1.76414 2.07821 0.31407 0.46071 -0.46508 -0.00437</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">0.65836</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">1.67342</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">236.00</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-989.59156389</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.13989930</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.00805061</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">-989.44078143</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.01088315</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.13989930</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.15078246</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-989.44078143</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-989.43983722</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">0.01441173</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01417735</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02008735</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.04867643</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
