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                  <bond atomRefs2="a116 a117" order="S"/>
                  <bond atomRefs2="a117 a214" order="S"/>
                  <bond atomRefs2="a117 a149" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a119 a151" order="S"/>
                  <bond atomRefs2="a119 a122" order="S"/>
                  <bond atomRefs2="a120 a154" order="S"/>
                  <bond atomRefs2="a120 a125" order="S"/>
                  <bond atomRefs2="a120 a121" order="S"/>
                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a123 a157" order="S"/>
                  <bond atomRefs2="a123 a127" order="S"/>
                  <bond atomRefs2="a124 a130" order="S"/>
                  <bond atomRefs2="a124 a160" order="S"/>
                  <bond atomRefs2="a124 a125" order="S"/>
                  <bond atomRefs2="a126 a211" order="S"/>
                  <bond atomRefs2="a126 a161" order="S"/>
                  <bond atomRefs2="a126 a131" order="S"/>
                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a128 a163" order="S"/>
                  <bond atomRefs2="a128 a133" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
                  <bond atomRefs2="a129 a136" order="S"/>
                  <bond atomRefs2="a129 a166" order="S"/>
                  <bond atomRefs2="a131 a132" order="S"/>
                  <bond atomRefs2="a132 a167" order="S"/>
                  <bond atomRefs2="a132 a137" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a134 a169" order="S"/>
                  <bond atomRefs2="a135 a172" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a138 a173" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a140 a145" order="S"/>
                  <bond atomRefs2="a140 a175" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a141 a178" order="S"/>
                  <bond atomRefs2="a141 a148" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a144 a149" order="S"/>
                  <bond atomRefs2="a144 a179" order="S"/>
                  <bond atomRefs2="a145 a146" order="S"/>
                  <bond atomRefs2="a146 a151" order="S"/>
                  <bond atomRefs2="a146 a181" order="S"/>
                  <bond atomRefs2="a147 a184" order="S"/>
                  <bond atomRefs2="a147 a154" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a150 a155" order="S"/>
                  <bond atomRefs2="a150 a185" order="S"/>
                  <bond atomRefs2="a151 a152" order="S"/>
                  <bond atomRefs2="a152 a157" order="S"/>
                  <bond atomRefs2="a152 a187" order="S"/>
                  <bond atomRefs2="a153 a160" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a153 a190" order="S"/>
                  <bond atomRefs2="a155 a213" order="S"/>
                  <bond atomRefs2="a155 a156" order="S"/>
                  <bond atomRefs2="a156 a191" order="S"/>
                  <bond atomRefs2="a156 a161" order="S"/>
                  <bond atomRefs2="a157 a158" order="S"/>
                  <bond atomRefs2="a158 a193" order="S"/>
                  <bond atomRefs2="a158 a163" order="S"/>
                  <bond atomRefs2="a159 a166" order="S"/>
                  <bond atomRefs2="a159 a160" order="S"/>
                  <bond atomRefs2="a159 a196" order="S"/>
                  <bond atomRefs2="a161 a162" order="S"/>
                  <bond atomRefs2="a162 a197" order="S"/>
                  <bond atomRefs2="a162 a167" order="S"/>
                  <bond atomRefs2="a163 a164" order="S"/>
                  <bond atomRefs2="a164 a199" order="S"/>
                  <bond atomRefs2="a164 a169" order="S"/>
                  <bond atomRefs2="a165 a202" order="S"/>
                  <bond atomRefs2="a165 a166" order="S"/>
                  <bond atomRefs2="a165 a172" order="S"/>
                  <bond atomRefs2="a167 a168" order="S"/>
                  <bond atomRefs2="a168 a203" order="S"/>
                  <bond atomRefs2="a168 a173" order="S"/>
                  <bond atomRefs2="a169 a170" order="S"/>
                  <bond atomRefs2="a170 a205" order="S"/>
                  <bond atomRefs2="a171 a208" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a173 a174" order="S"/>
                  <bond atomRefs2="a174 a209" order="S"/>
                  <bond atomRefs2="a175 a176" order="S"/>
                  <bond atomRefs2="a176 a181" order="S"/>
                  <bond atomRefs2="a177 a184" order="S"/>
                  <bond atomRefs2="a177 a178" order="S"/>
                  <bond atomRefs2="a179 a180" order="S"/>
                  <bond atomRefs2="a180 a185" order="S"/>
                  <bond atomRefs2="a181 a182" order="S"/>
                  <bond atomRefs2="a182 a187" order="S"/>
                  <bond atomRefs2="a183 a184" order="S"/>
                  <bond atomRefs2="a183 a190" order="S"/>
                  <bond atomRefs2="a185 a186" order="S"/>
                  <bond atomRefs2="a186 a191" order="S"/>
                  <bond atomRefs2="a187 a188" order="S"/>
                  <bond atomRefs2="a188 a193" order="S"/>
                  <bond atomRefs2="a189 a196" order="S"/>
                  <bond atomRefs2="a189 a190" order="S"/>
                  <bond atomRefs2="a191 a192" order="S"/>
                  <bond atomRefs2="a192 a197" order="S"/>
                  <bond atomRefs2="a193 a194" order="S"/>
                  <bond atomRefs2="a194 a199" order="S"/>
                  <bond atomRefs2="a195 a202" order="S"/>
                  <bond atomRefs2="a195 a196" order="S"/>
                  <bond atomRefs2="a197 a198" order="S"/>
                  <bond atomRefs2="a198 a203" order="S"/>
                  <bond atomRefs2="a199 a200" order="S"/>
                  <bond atomRefs2="a200 a205" order="S"/>
                  <bond atomRefs2="a201 a202" order="S"/>
                  <bond atomRefs2="a201 a208" order="S"/>
                  <bond atomRefs2="a203 a204" order="S"/>
                  <bond atomRefs2="a204 a209" order="S"/>
                  <bond atomRefs2="a205 a206" order="S"/>
                  <bond atomRefs2="a207 a208" order="S"/>
                  <bond atomRefs2="a209 a210" order="S"/>
                  <bond atomRefs2="a211 a217" order="S"/>
                  <bond atomRefs2="a212 a217" order="S"/>
                  <bond atomRefs2="a217 a218" order="S"/>
               </bondArray>
               <formula concise="C210H4ClO2Pt">
                  <atomArray count="210 4 1 2 1" elementType="C H Cl O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2784.776799999998</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">0.1E-03</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.2000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">873.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.05</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE Pt 04Feb2005|PAW_PBE Cl 17Jan2003</array>
                  <array dictRef="cc:atomType" size="5">C O H Pt Cl</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">12.011 16.000 1.000 195.080 35.453</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">4.000 6.000 1.000 10.000 7.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">210 2 4 1 1</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-1980.98676962</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-1980.96425391</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-1980.97551176</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.1708</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4021371E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">14.80193</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">14.801934747302461</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">19.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
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                        id="a1"
                        x3="0.07611"
                        xFract="0.0033855"
                        y3="0.04503"
                        yFract="0.0035128"
                        z3="0.48693"
                        zFract="0.02562789"/>
                  <atom elementType="C"
                        id="a2"
                        x3="1.30968"
                        xFract="0.0589457"
                        y3="0.7572"
                        yFract="0.05906926"
                        z3="0.48961"
                        zFract="0.02576895"/>
                  <atom elementType="C"
                        id="a3"
                        x3="2.57639"
                        xFract="0.11719921"
                        y3="1.45772"
                        yFract="0.11371691"
                        z3="4.01262"
                        zFract="0.21119053"/>
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                        id="a4"
                        x3="1.3430"
                        xFract="0.06165156"
                        y3="0.74554"
                        yFract="0.05815966"
                        z3="3.99533"
                        zFract="0.21028053"/>
                  <atom elementType="C"
                        id="a5"
                        x3="0.1594"
                        xFract="0.00868209"
                        y3="0.0535"
                        yFract="0.00417354"
                        z3="7.52904"
                        zFract="0.39626526"/>
                  <atom elementType="C"
                        id="a6"
                        x3="1.39488"
                        xFract="0.06420205"
                        y3="0.77001"
                        yFract="0.06006857"
                        z3="7.54314"
                        zFract="0.39700737"/>
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                        id="a7"
                        x3="1.30959"
                        xFract="0.00338195"
                        y3="2.18157"
                        yFract="0.17018453"
                        z3="0.49307"
                        zFract="0.02595105"/>
                  <atom elementType="C"
                        id="a8"
                        x3="2.54313"
                        xFract="0.0589452"
                        y3="2.89361"
                        yFract="0.22573086"
                        z3="0.49742"
                        zFract="0.02618"/>
                  <atom elementType="C"
                        id="a9"
                        x3="3.8098"
                        xFract="0.11719328"
                        y3="3.5942"
                        yFract="0.28038397"
                        z3="4.04112"
                        zFract="0.21269053"/>
                  <atom elementType="C"
                        id="a10"
                        x3="2.5764"
                        xFract="0.06164573"
                        y3="2.8820"
                        yFract="0.22482516"
                        z3="4.02705"
                        zFract="0.21195"/>
                  <atom elementType="C"
                        id="a11"
                        x3="1.4015"
                        xFract="0.00924842"
                        y3="2.19036"
                        yFract="0.17087024"
                        z3="7.56166"
                        zFract="0.39798211"/>
                  <atom elementType="C"
                        id="a12"
                        x3="2.63161"
                        xFract="0.06442353"
                        y3="2.90641"
                        yFract="0.22672939"
                        z3="7.59029"
                        zFract="0.39948895"/>
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                        id="a13"
                        x3="2.54304"
                        xFract="0.00338222"
                        y3="4.31796"
                        yFract="0.33684457"
                        z3="0.49827"
                        zFract="0.02622474"/>
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                        id="a14"
                        x3="3.77659"
                        xFract="0.05894654"
                        y3="5.02999"
                        yFract="0.39239011"
                        z3="0.50039"
                        zFract="0.02633632"/>
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                        id="a15"
                        x3="5.04328"
                        xFract="0.11717452"
                        y3="5.73113"
                        yFract="0.44708613"
                        z3="4.03616"
                        zFract="0.21242947"/>
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                        id="a16"
                        x3="3.8098"
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                        y3="5.01871"
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      </module>
   </module>
</module>
