<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        convention="convention:compchem"
        id="gaussian.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">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-KIMIK2030</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000069863</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">6-Jun-2017</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">24-Apr-2013</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:diffuse">
                  <scalar dataType="xsd:string">(6D, 10F)</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RPBEPBE</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">FOpt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">opt=(loose)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">PBEPBE/SDD</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">pop=(full,Hirshfeld,</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">NPA)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">GFInput</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">nosymm</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Cl"
                        id="a1"
                        x3="3.9964"
                        y3="-0.0002"
                        z3="-0.8625"/>
                  <atom elementType="Cl"
                        id="a2"
                        x3="2.1067"
                        y3="1.6381"
                        z3="1.2526"/>
                  <atom elementType="Cl"
                        id="a3"
                        x3="2.1066"
                        y3="-1.6374"
                        z3="1.2535"/>
                  <atom elementType="Si"
                        id="a4"
                        x3="2.2017"
                        y3="0.0000"
                        z3="0.0702"/>
                  <atom elementType="C"
                        id="a5"
                        x3="0.8036"
                        y3="-0.0004"
                        z3="-1.1789"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-0.5774"
                        y3="-0.0003"
                        z3="-0.6156"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.2232"
                        y3="1.2078"
                        z3="-0.3525"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-1.2235"
                        y3="-1.2083"
                        z3="-0.3523"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-2.5148"
                        y3="1.2082"
                        z3="0.1740"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-2.5153"
                        y3="-1.2078"
                        z3="0.1742"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-3.1609"
                        y3="0.0004"
                        z3="0.4373"/>
                  <atom elementType="H"
                        id="a12"
                        x3="0.9232"
                        y3="-0.8697"
                        z3="-1.8386"/>
                  <atom elementType="H"
                        id="a13"
                        x3="0.9231"
                        y3="0.8686"
                        z3="-1.8391"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-0.7339"
                        y3="2.1569"
                        z3="-0.5551"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-0.7345"
                        y3="-2.1576"
                        z3="-0.5545"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-3.0178"
                        y3="2.1488"
                        z3="0.3783"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-3.0186"
                        y3="-2.1482"
                        z3="0.3787"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-4.1667"
                        y3="0.0006"
                        z3="0.8469"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
               </bondArray>
               <formula concise="C 7 H 7 Cl 3 Si 1"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">218.5193999999999</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:11,9,10,7,8,5,6,1,2,3,4/E:(2,3)(4,5)(8,9,10)/CRV:1.3,2.3,3.3,4.3,5.3,7.3/rA:18ClClClSiCC3C3C3C3C3C3HHHHHHH/rB:;;s1s2s3;s4;s5;s6;s6;s7;s8;s9s10;s5;s5;s7;s8;s9;s10;s11;/rC:;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g09</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6128.inp" -scrdir="/scratch/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">chk=000069863.chk</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=4</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=7GB</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,15=1,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=3,28=1,40=-1,79=1/1,7</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=-1,14=-1,18=20,19=15,26=3/3(2)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=5,16=3,69=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=-1,14=-1,18=20,19=15,26=3/3(-5)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=3,19=2,28=1,40=-1,79=1/1,7</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/9=1/99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">000069863</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="18">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="18">35 35 35 28 12 12 12 12 12 12 12 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="18">34.9688527 34.9688527 34.9688527 27.9769284 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="18">3 3 3 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="18">0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000</array>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">(Enter /mnt/data/applications/G09/g09/l101.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Initialization pass.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="18">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="18">1 2 3 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="18">4 4 4 5 6 12 13 7 8 9 14 10 15 11 16 11 17 18</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="18">2.0226 2.0225 2.0225 1.8748 1.4915 1.0978 1.0979 1.3949 1.395 1.3948 1.0869 1.395 1.0868 1.3948 1.086 1.3949 1.086 1.086</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="18">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="30">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="30">1 1 1 2 2 3 4 4 4 6 6 12 5 5 7 6 6 9 6 6 10 7 7 11 8 8 11 9 9 10</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="30">4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="30">2 3 5 3 5 5 6 12 13 12 13 13 7 8 8 9 14 14 10 15 15 11 16 16 11 17 17 10 18 18</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="30">108.1409 108.1466 110.7608 108.1482 110.7722 110.7673 116.0313 108.6201 108.6213 109.1405 109.1385 104.6879 119.9982 120.0051 119.9967 120.0108 120.845 119.1441 119.9884 120.8552 119.1562 119.9966 120.0096 119.9938 120.0062 119.994 119.9997 120.0013 120.0025 119.9962</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="30">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="39">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="39">1 1 1 2 2 2 3 3 3 4 4 12 12 13 13 5 5 8 8 5 5 7 7 6 6 14 14 6 6 15 15 7 7 16 16 8 8 17 17</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="39">4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="39">5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="39">6 12 13 6 12 13 6 12 13 7 8 7 8 7 8 9 14 9 14 10 15 10 15 11 16 11 16 11 17 11 17 10 18 10 18 9 18 9 18</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="39">179.9996 56.6587 -56.6614 -60.0062 176.6529 63.3328 60.0014 -63.3395 -176.6596 89.9984 -90.026 -146.9326 33.043 -33.0703 146.9052 179.9853 0.1574 0.0098 -179.8181 -179.9817 -0.1451 -0.0062 179.8304 -0.0098 -179.9648 179.8211 -0.134 0.0026 179.9658 -179.8368 0.1264 0.0062 -179.9775 179.9613 -0.0224 -0.0026 179.9811 -179.9658 0.0179</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="39">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.trust">
                     <scalar dataType="xsd:double" dictRef="g:trustrad">3.00e-01</scalar>
                     <scalar dataType="xsd:double" dictRef="g:fncerr">1.00e-07</scalar>
                     <scalar dataType="xsd:double" dictRef="g:grderr">1.00e-06</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:nstep">97</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:allowedstep">108</scalar>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l301.basis" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="ernie">
                     <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                     <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                     <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                  </module>
                  <scalar dataType="xsd:string" dictRef="g:misc">IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX=  0.000000</scalar>
                  <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
                  <module cmlx:templateRef="natoms">
                     <scalar dataType="xsd:integer" dictRef="cc:natoms">18</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">18</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">18</scalar>
                     <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                     <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l302.basis" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="basis">
                     <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="6">1 Symmetry operations used in ECPInt.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="9">ECPInt: NShTT= 4656 NPrTT= 21569 LenC2= 4122 LenP2D= 12877.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="6">LDataN: DoStor=T MaxTD1= 2 Len= 12</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NBasis= 156 RedAO= T EigKep= 1.04D-03 NBF= 156</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 156 1.00D-06 EigRej= -1.00D+00 NBFU= 156</array>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Using GEDIIS/GDIIS optimizer.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.localminsaddle">
                     <scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="9">Step number 4 out of a maximum of 97</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
                     <array cmlx:templateRef="eigenvaluelist"
                            dataType="xsd:double"
                            dictRef=""
                            size="48">0.00879 0.01101 0.01639 0.02155 0.02155 0.02156 0.02156 0.02157 0.02157 0.02157 0.02158 0.04385 0.05801 0.08861 0.09203 0.09357 0.13079 0.14857 0.15982 0.16000 0.16000 0.16000 0.16023 0.21190 0.22000 0.22000 0.22030 0.23600 0.24996 0.25000 0.25000 0.25397 0.32067 0.32138 0.33745 0.33922 0.34110 0.35181 0.35200 0.35274 0.35276 0.35492 0.42194 0.42485 0.46438 0.46470 0.46483 0.49344</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="3">RFO step: Lambda=-3.46220930D-06.</array>
                     <list cmlx:templateRef="iterationList">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                        <array dataType="xsd:double" dictRef="g:rmscart" size="2">0.00112933 0.00000094</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="2">0.00000111 0.00000056</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="87">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="87">4.12229 4.11478 4.11477 3.59999 2.87032 2.09018 2.09017 2.68223 2.68221 2.66862 2.07229 2.66861 2.07230 2.67290 2.07042 2.67290 2.07041 2.07033 1.88980 1.88981 1.90148 1.90084 1.94029 1.94027 2.00098 1.84488 1.84490 1.94509 1.94511 1.87457 2.10323 2.10321 2.07674 2.10312 2.08910 2.09096 2.10314 2.08909 2.09096 2.09753 2.08970 2.09596 2.09752 2.08971 2.09595 2.08831 2.09743 2.09745 3.14156 0.99214 -0.99217 -1.06041 3.07335 1.08904 1.06036 -1.08906 -3.07337 1.56941 -1.56940 -2.61916 0.52521 -0.52524 2.61914 3.13892 -0.00511 -0.00541 3.13374 -3.13893 0.00508 0.00541 -3.13377 0.00192 -3.13868 -3.13723 0.00536 -0.00191 3.13868 3.13727 -0.00532 0.00165 -3.14011 -3.14094 0.00048 -0.00166 3.14011 3.14094 -0.00048</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="87">0.00052 -0.00013 -0.00012 -0.00002 -0.00044 -0.00014 -0.00014 -0.00029 -0.00028 -0.00011 -0.00013 -0.00011 -0.00013 -0.00025 -0.00010 -0.00025 -0.00010 -0.00008 -0.00027 -0.00027 0.00023 -0.00048 0.00037 0.00038 -0.00004 0.00001 0.00001 0.00006 0.00006 -0.00011 -0.00003 -0.00003 0.00006 -0.00002 0.00011 -0.00009 -0.00002 0.00011 -0.00009 -0.00004 0.00008 -0.00005 -0.00003 0.00008 -0.00004 0.00005 -0.00002 -0.00003 0.00000 -0.00005 0.00005 0.00005 -0.00001 0.00010 -0.00005 -0.00010 0.00001 0.00000 0.00000 0.00003 0.00003 -0.00003 -0.00003 0.00000 0.00002 0.00000 0.00002 0.00000 -0.00002 0.00000 -0.00002 0.00000 -0.00001 -0.00002 -0.00002 0.00000 0.00001 0.00002 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.linear" size="87">0.00223 0.00186 0.00186 0.00055 -0.00077 -0.00033 -0.00033 -0.00020 -0.00020 -0.00020 -0.00022 -0.00020 -0.00022 -0.00026 -0.00020 -0.00026 -0.00020 -0.00021 -0.00041 -0.00041 0.00004 -0.00043 0.00058 0.00059 -0.00021 -0.00026 -0.00027 0.00017 0.00017 0.00041 -0.00009 -0.00009 0.00019 -0.00013 0.00015 -0.00002 -0.00014 0.00015 -0.00001 -0.00001 0.00007 -0.00006 -0.00001 0.00007 -0.00006 0.00010 -0.00005 -0.00005 0.00000 0.00012 -0.00012 -0.00012 -0.00001 -0.00024 0.00013 0.00025 0.00001 0.00018 -0.00016 -0.00019 -0.00054 0.00056 0.00021 -0.00024 -0.00020 0.00009 0.00013 0.00025 0.00020 -0.00009 -0.00013 -0.00010 -0.00007 -0.00015 -0.00012 0.00010 0.00008 0.00014 0.00012 0.00011 0.00002 0.00008 -0.00001 -0.00011 -0.00002 -0.00009 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.quad" size="87">0.00045 -0.00143 -0.00143 -0.00047 -0.00062 -0.00012 -0.00012 -0.00039 -0.00038 0.00000 -0.00017 0.00001 -0.00017 -0.00025 -0.00011 -0.00025 -0.00010 -0.00003 -0.00056 -0.00056 0.00114 -0.00210 0.00100 0.00101 0.00018 0.00012 0.00011 0.00064 0.00063 -0.00188 -0.00002 -0.00002 0.00004 0.00006 0.00053 -0.00058 0.00005 0.00053 -0.00058 -0.00015 0.00044 -0.00029 -0.00015 0.00043 -0.00028 0.00016 -0.00007 -0.00009 0.00002 -0.00100 0.00102 0.00066 -0.00036 0.00166 -0.00063 -0.00165 0.00038 -0.00010 0.00010 0.00067 0.00087 -0.00086 -0.00065 0.00026 0.00103 0.00006 0.00083 -0.00026 -0.00100 -0.00006 -0.00080 0.00023 -0.00019 -0.00055 -0.00096 -0.00023 0.00019 0.00052 0.00093 -0.00051 -0.00023 -0.00009 0.00019 0.00051 0.00023 0.00009 -0.00019</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="87">0.00268 0.00043 0.00044 0.00008 -0.00139 -0.00045 -0.00045 -0.00059 -0.00058 -0.00020 -0.00038 -0.00019 -0.00039 -0.00051 -0.00030 -0.00051 -0.00030 -0.00024 -0.00097 -0.00098 0.00117 -0.00253 0.00158 0.00159 -0.00003 -0.00015 -0.00016 0.00081 0.00080 -0.00147 -0.00012 -0.00011 0.00023 -0.00008 0.00068 -0.00060 -0.00009 0.00068 -0.00059 -0.00016 0.00051 -0.00035 -0.00015 0.00050 -0.00035 0.00026 -0.00012 -0.00013 0.00002 -0.00088 0.00090 0.00054 -0.00037 0.00142 -0.00050 -0.00140 0.00039 0.00008 -0.00006 0.00048 0.00034 -0.00030 -0.00044 0.00001 0.00083 0.00015 0.00097 -0.00001 -0.00079 -0.00015 -0.00093 0.00012 -0.00026 -0.00070 -0.00108 -0.00013 0.00027 0.00066 0.00105 -0.00040 -0.00021 -0.00001 0.00018 0.00040 0.00021 0.00000 -0.00019</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="87">4.12497 4.11521 4.11520 3.60007 2.86892 2.08973 2.08972 2.68164 2.68164 2.66842 2.07191 2.66842 2.07191 2.67238 2.07012 2.67238 2.07012 2.07009 1.88882 1.88883 1.90266 1.89830 1.94188 1.94187 2.00095 1.84473 1.84474 1.94590 1.94591 1.87310 2.10311 2.10311 2.07697 2.10305 2.08977 2.09037 2.10305 2.08977 2.09036 2.09737 2.09021 2.09561 2.09736 2.09021 2.09561 2.08857 2.09731 2.09731 3.14159 0.99126 -0.99127 -1.05988 3.07298 1.09046 1.05986 -1.09046 -3.07299 1.56949 -1.56946 -2.61869 0.52555 -0.52553 2.61870 3.13893 -0.00428 -0.00526 3.13471 -3.13894 0.00428 0.00526 -3.13471 0.00204 -3.13894 -3.13793 0.00428 -0.00204 3.13895 3.13793 -0.00427 0.00125 -3.14032 -3.14095 0.00066 -0.00126 3.14032 3.14094 -0.00067</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.itemconverge">
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
                        <array dataType="xsd:double" dictRef="g:value" size="4">0.000519 0.000142 0.003872 0.001129</array>
                        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.002500 0.001667 0.010000 0.006667</array>
                        <array dataType="xsd:string" dictRef="g:converged" size="4">YES YES YES YES</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-3.678504e-06</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.optimizedparam">
                     <list cmlx:templateRef="completed">
                        <scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed.</scalar>
                        <scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
                     </list>
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="18">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="18">1 2 3 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="18">4 4 4 5 6 12 13 7 8 9 14 10 15 11 16 11 17 18</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="18">2.1814 2.1774 2.1774 1.905 1.5189 1.1061 1.1061 1.4194 1.4194 1.4122 1.0966 1.4122 1.0966 1.4144 1.0956 1.4144 1.0956 1.0956</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="18">-DE/DX =    0.0005|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =   -0.0004|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0003|-DE/DX =   -0.0003|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0002|-DE/DX =   -0.0001|-DE/DX =   -0.0002|-DE/DX =   -0.0001|-DE/DX =   -0.0001</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="30">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="30">1 1 1 2 2 3 4 4 4 6 6 12 5 5 7 6 6 9 6 6 10 7 7 11 8 8 11 9 9 10</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="30">4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="30">2 3 5 3 5 5 6 12 13 12 13 13 7 8 8 9 14 14 10 15 15 11 16 16 11 17 17 10 18 18</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="30">108.2775 108.2779 108.9471 108.9099 111.1706 111.1695 114.6477 105.7038 105.7048 111.4456 111.4464 107.4052 120.5061 120.5053 118.9884 120.5001 119.6964 119.8033 120.5011 119.6958 119.803 120.1795 119.7308 120.0898 120.1789 119.7318 120.0893 119.6512 120.1739 120.1749</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="30">-DE/DX =   -0.0003|-DE/DX =   -0.0003|-DE/DX =    0.0002|-DE/DX =   -0.0005|-DE/DX =    0.0004|-DE/DX =    0.0004|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="38">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="38">1 1 1 2 2 2 3 3 3 4 4 12 12 13 13 5 5 8 8 5 5 7 7 6 6 14 14 6 6 15 15 7 7 16 16 8 8 17</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="38">4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="38">5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="38">6 12 13 6 12 13 6 12 13 7 8 7 8 7 8 9 14 9 14 10 15 10 15 11 16 11 16 11 17 11 17 10 18 10 18 9 18 9</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="38">179.9984 56.8456 -56.8471 -60.7572 176.0899 62.3973 60.7542 -62.3987 -176.0913 89.9205 -89.92 -150.067 30.0925 -30.0938 150.0657 179.8469 -0.2929 -0.3102 179.5501 -179.8472 0.291 0.3098 -179.5519 0.1101 -179.8329 -179.75 0.307 -0.1094 179.8333 179.7522 -0.3051 0.0946 -179.9153 -179.9627 0.0274 -0.0949 179.915 179.9625</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="38">-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl"
                                 id="a1"
                                 x3="3.9964"
                                 y3="-0.0002"
                                 z3="-0.8625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a2"
                                 x3="2.1067"
                                 y3="1.6381"
                                 z3="1.2526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a3"
                                 x3="2.1066"
                                 y3="-1.6374"
                                 z3="1.2535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a4"
                                 x3="2.2017"
                                 y3="0.0000"
                                 z3="0.0702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="0.8036"
                                 y3="-0.0004"
                                 z3="-1.1789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-0.5774"
                                 y3="-0.0003"
                                 z3="-0.6156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.2232"
                                 y3="1.2078"
                                 z3="-0.3525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-1.2235"
                                 y3="-1.2083"
                                 z3="-0.3523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-2.5148"
                                 y3="1.2082"
                                 z3="0.1740">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-2.5153"
                                 y3="-1.2078"
                                 z3="0.1742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-3.1609"
                                 y3="0.0004"
                                 z3="0.4373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="0.9232"
                                 y3="-0.8697"
                                 z3="-1.8386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="0.9231"
                                 y3="0.8686"
                                 z3="-1.8391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-0.7339"
                                 y3="2.1569"
                                 z3="-0.5551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-0.7345"
                                 y3="-2.1576"
                                 z3="-0.5545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-3.0178"
                                 y3="2.1488"
                                 z3="0.3783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-3.0186"
                                 y3="-2.1482"
                                 z3="0.3787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-4.1667"
                                 y3="0.0006"
                                 z3="0.8469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a2 a4" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a14" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a15" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a9 a16" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                        </bondArray>
                        <formula concise="C 7 H 7 Cl 3 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">218.5193999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:11,9,10,7,8,5,6,1,2,3,4/E:(2,3)(4,5)(8,9,10)/CRV:1.3,2.3,3.3,4.3,5.3,7.3/rA:18ClClClSiCC3C3C3C3C3C3HHHHHHH/rB:;;s1s2s3;s4;s5;s6;s6;s7;s8;s9s10;s5;s5;s7;s8;s9;s10;s11;/rC:;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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                            dictRef="cc:rotconst"
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                  </module>
               </module>
               <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
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                  <module cmlx:templateRef="l601.orbital.closedshell">
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                        <scalar dataType="xsd:string" dictRef="x:label">7PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">7PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">7PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">8PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">8PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">8PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">9PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">9PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">9PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">10PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">10PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">10PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">4   Si 1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">7PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">7PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">7PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">8PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">8PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">8PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">9PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">9PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">9PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">10PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">10PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">10PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5   C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6   C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">7   C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">8   C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">9   C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">10  C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">11  C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">12  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">13  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">14  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">15  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">16  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">17  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">18  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                     </list>
                  </module>
                  <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                  <module cmlx:templateRef="l601.grossorbpop">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="156">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</array>
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="x:label"
                            size="156">1   Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3   Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|4   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|5   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12  H  1S|2S|13  H  1S|2S|14  H  1S|2S|15  H  1S|2S|16  H  1S|2S|17  H  1S|2S|18  H  1S|2S</array>
                     <matrix cols="1"
                             dataType="xsd:double"
                             dictRef="g:totaloccup"
                             rows="156">0.74382 1.22404 0.97412 1.01167 1.07177 0.96260 1.79102 1.80050 1.79788 0.22766 0.22703 0.22743 0.78017 0.89926 0.86386 0.78052 0.92857 0.89564 0.74382 1.22403 0.97417 1.01143 1.07358 0.95827 1.80067 1.79226 1.79646 0.22712 0.22759 0.22738 0.89998 0.79566 0.84765 0.94216 0.79228 0.87107 0.74382 1.22403 0.97417 1.01143 1.07358 0.95827 1.80067 1.79227 1.79645 0.22712 0.22759 0.22738 0.89998 0.79575 0.84758 0.94216 0.79238 0.87095 0.74965 1.22042 0.89613 1.08315 0.92284 0.25632 1.97687 1.97382 1.97648 0.00670 0.00757 0.00681 0.49658 0.46533 0.49101 0.24203 0.20720 0.24512 1.17413 0.81421 0.69934 0.85613 0.89326 0.94276 0.91337 0.11253 0.35409 0.22614 1.17435 0.81398 0.75500 0.34627 0.86919 0.93674 0.80285 -0.11558 -0.22043 0.13156 1.17435 0.81402 0.75370 0.52716 0.90820 0.93425 0.79220 0.08461 0.16904 0.22829 1.17435 0.81402 0.75370 0.52728 0.90814 0.93424 0.79214 0.08465 0.16913 0.22832 1.17439 0.81411 0.75727 0.50466 0.90363 0.94264 0.77746 0.04703 0.09549 0.20876 1.17439 0.81411 0.75728 0.50473 0.90357 0.94260 0.77741 0.04711 0.09540 0.20882 1.17438 0.81414 0.75595 0.51999 0.92128 0.91909 0.78475 0.16040 -0.03427 0.22559 0.50584 0.20072 0.50582 0.20077 0.52002 0.23394 0.52003 0.23389 0.52017 0.24440 0.52017 0.24443 0.52003 0.24313</matrix>
                  </module>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-2.3712 -0.0006 -1.5876</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">2.8536</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-97.2242 -89.8355 -95.6554</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.0022 -4.5556 0.0001</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-2.9858 4.4029 -1.4171 -0.0022 -4.5556 0.0001</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-276.6000 -0.0181 -36.7958 -88.8941 -0.0004 3.9710 -70.3464 -0.0011 -16.8220 0.0010</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-3410.0790 -736.2198 -510.4317 -0.0302 -56.8418 -0.0316 0.0068 -35.7129 0.0035 -677.5685 -668.8181 -214.9801 0.0017 -26.3854 -0.0037</array>
                  </list>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl"
                                 id="a1"
                                 x3="4.136267"
                                 y3="-0.000566"
                                 z3="-0.969465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a2"
                                 x3="2.122997"
                                 y3="1.77181"
                                 z3="1.329372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a3"
                                 x3="2.122648"
                                 y3="-1.771582"
                                 z3="1.330121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a4"
                                 x3="2.217025"
                                 y3="-0.000166"
                                 z3="0.067416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="0.81637"
                                 y3="-0.000322"
                                 z3="-1.223831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-0.585085"
                                 y3="-0.000106"
                                 z3="-0.638171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.249146"
                                 y3="1.222893"
                                 z3="-0.359032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-1.249298"
                                 y3="-1.222903"
                                 z3="-0.358544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-2.553374"
                                 y3="1.222953"
                                 z3="0.182472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-2.553518"
                                 y3="-1.222604"
                                 z3="0.182965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-3.210433"
                                 y3="0.000268"
                                 z3="0.454395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="0.990886"
                                 y3="-0.891916"
                                 z3="-1.854707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="0.991015"
                                 y3="0.890974"
                                 z3="-1.855088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-0.743894"
                                 y3="2.174426"
                                 z3="-0.563627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-0.744168"
                                 y3="-2.174579"
                                 z3="-0.562791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-3.055267"
                                 y3="2.174373"
                                 z3="0.390515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-3.05553"
                                 y3="-2.173875"
                                 z3="0.391395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-4.222796"
                                 y3="0.000421"
                                 z3="0.873205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a2 a4" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a14" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a15" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a9 a16" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                        </bondArray>
                        <formula concise="C 7 H 7 Cl 3 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">218.5193999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:11,9,10,7,8,5,6,1,2,3,4/E:(2,3)(4,5)(8,9,10)/CRV:1.3,2.3,3.3,4.3,5.3,7.3/rA:18ClClClSiCC3C3C3C3C3C3HHHHHHH/rB:;;s1s2s3;s4;s5;s6;s6;s7;s8;s9s10;s5;s5;s7;s8;s9;s10;s11;/rC:;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="171">0.000000 3.532594 0.000000 3.532599 3.543392 0.000000 2.181424 2.177446 2.177440 0.000000 3.329628 3.371434 3.371408 1.905034 0.000000 4.732962 3.787429 3.787363 2.889581 1.518906 0.000000 5.556272 3.810953 4.815507 3.700280 2.551566 1.419373 0.000000 5.556226 4.815572 3.810860 3.700260 2.551550 1.419366 2.445795 0.000000 6.897482 4.846140 5.670054 4.926050 3.850879 2.458351 1.412175 2.824097 0.000000 6.897442 5.670146 4.846016 4.926032 3.850870 2.458352 2.824111 1.412170 2.445557 0.000000 7.483407 5.687655 5.687539 5.441237 4.362521 2.843616 2.450127 2.450116 1.414436 1.414435 0.000000 3.386973 4.302961 3.492539 2.448100 1.106075 2.181507 3.424500 2.714126 4.602668 4.101739 4.876374 0.000000 3.387002 3.492569 4.302947 2.448112 1.106072 2.181514 2.714162 3.424488 4.101775 4.602672 4.876396 1.782891 0.000000 5.358290 3.458990 5.232048 3.727480 2.756778 2.181597 1.096610 3.440833 2.176277 3.920708 3.441969 3.752173 2.514961 0.000000 5.358206 5.232103 3.458924 3.727452 2.756746 2.181587 3.440833 1.096613 3.920697 2.176271 3.441960 2.514892 3.752134 4.349005 0.000000 7.635317 5.278061 6.577554 5.712274 4.724932 3.447948 2.174674 3.919706 1.095617 3.440099 2.180571 5.551081 4.802316 2.500566 5.016308 0.000000 7.635258 6.577642 5.277932 5.712251 4.724923 3.447952 3.919719 2.174680 3.440095 1.095616 2.180565 4.802278 5.551082 5.016318 2.500573 4.348248 0.000000 8.559753 6.604165 6.604046 6.490038 5.458091 3.939187 3.443173 3.443170 2.181437 2.181447 1.095573 5.951491 5.951512 4.346670 4.346672 2.514394 2.514402 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">1.0098995 0.3618942 0.3324892</array>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">NSgBfM= 151 151 151 151 151 MxSgAt= 18 MxSgA2= 18.</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis">
                     <scalar dataType="xsd:string" dictRef="cc:basis">SDD</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 10F)</scalar>
                     <module cmlx:templateRef="ernie">
                        <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                        <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                        <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                     </module>
                     <scalar dataType="xsd:string" dictRef="g:misc">IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX=  0.000000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
                     <module cmlx:templateRef="natoms">
                        <scalar dataType="xsd:integer" dictRef="cc:natoms">18</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">18</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">18</scalar>
                        <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                        <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                     </module>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis">
                     <scalar dataType="xsd:string" dictRef="cc:basis">SDD</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 10F)</scalar>
                     <module cmlx:templateRef="ernie">
                        <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                        <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                        <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                     </module>
                     <scalar dataType="xsd:string" dictRef="g:misc">IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX=  0.000000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
                     <module cmlx:templateRef="natoms">
                        <scalar dataType="xsd:integer" dictRef="cc:natoms">18</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">18</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">18</scalar>
                        <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                        <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                     </module>
                  </module>
               </module>
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis">
                     <scalar dataType="xsd:string" dictRef="cc:basis">SDD</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 10F)</scalar>
                     <module cmlx:templateRef="ernie">
                        <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                        <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                        <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                     </module>
                     <scalar dataType="xsd:string" dictRef="g:misc">IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX=  0.000000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
                     <module cmlx:templateRef="natoms">
                        <scalar dataType="xsd:integer" dictRef="cc:natoms">18</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">18</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">18</scalar>
                        <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                        <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                     </module>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="6">1 Symmetry operations used in ECPInt.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">ECPInt: NShTT= 4656 NPrTT= 21569 LenC2= 4093 LenP2D= 12697.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="6">LDataN: DoStor=T MaxTD1= 2 Len= 12</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="8">NBasis= 156 RedAO= T EigKep= 1.16D-03 NBF= 156</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 156 1.00D-06 EigRej= -1.00D+00 NBFU= 156</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">NSgBfM= 151 151 151 151 151 MxSgAt= 18 MxSgA2= 18.</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l303.basis">
                  <list cmlx:templateRef="l303">
                     <scalar dataType="xsd:integer" dictRef="g:dipdrv">1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">0</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.69774114286</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.39435018257</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.303390960288</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.90680885963</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.512458677062</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91561439774</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.008805538111</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91954507136</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.003930673623</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91963825822</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000093186856</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91967264253</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000034384314</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91967542976</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000002787229</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91964925606</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000026173700</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91964985092</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000594857</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91964979655</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000054370</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91964993513</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000138577</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91964994795</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000012826</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91964994862</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000664</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91964994869</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000074</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.91964994868</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000011</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l502.footer">
                     <list cmlx:templateRef="scfdone">
                        <list>
                           <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1939.91964995</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">16</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.934683344650e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-6.555054292416e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.700895385694e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Two-electron integral symmetry not used.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Keep J ints in memory in canonical form, NReq=77016715.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=       93466 IEndB=       93466 NGot=   939524096 MDV=   864442250</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   864442250 LenY=   864417473</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NMat0=    1 NMatS0=  12246 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Symmetry not used in FoFCou.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral accuracy reduced to 1.0D-05 until final iterations.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l716.dipole">
                  <array cmlx:templateRef="dipole"
                         dataType="xsd:double"
                         dictRef="x:d"
                         size="3">-9.32919764e-01 -2.19981505e-04 -6.24594009e-01</array>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="18">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="18">17 17 17 14 6 6 6 6 6 6 6 1 1 1 1 1 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.051823816 -0.000009723 -0.029930800</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004183136 0.048887164 0.033548524</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004182361 -0.048881779 0.033585413</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.038548358 0.000002794 -0.032728622</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004247293 0.000017934 -0.013466808</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.009911346 -0.000072174 -0.001126872</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002058358 0.011531315 0.000816732</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002195223 -0.011368302 0.000883517</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004693965 0.009796568 0.001999222</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004578039 -0.009798379 0.001963104</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.012485727 -0.000072041 0.005332304</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005093032 -0.005947184 -0.001218138</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005090252 0.005920238 -0.001201639</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004467289 0.004550252 -0.001570461</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004463865 -0.004569330 -0.001576702</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002976778 0.005693566 0.001103707</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002997827 -0.005683061 0.001109817</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.006197123 0.000002142 0.002477703</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.051823816</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.016412788</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /mnt/data/applications/G09/g09/l716.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94715657816</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94721028777</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000053709612</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94720467976</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000005608017</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94721718529</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000012505538</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94721794315</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000757851</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94721797444</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000031298</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94721798027</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000005822</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94721798052</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000256</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94721798053</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000008</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94721798054</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000009</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l502.footer">
                     <list cmlx:templateRef="scfdone">
                        <list>
                           <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1939.94721798</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">10</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.933572253482e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-6.479908202220e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.664043355281e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Two-electron integral symmetry not used.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Keep J ints in memory in canonical form, NReq=77016715.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=       93466 IEndB=       93466 NGot=   939524096 MDV=   864442250</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   864442250 LenY=   864417473</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NMat0=    1 NMatS0=  12246 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Symmetry not used in FoFCou.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /mnt/data/applications/G09/g09/l716.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l601.kinetic">
                  <module>
                     <scalar dataType="xsd:string" dictRef="g:spintype">alpha</scalar>
                     <array dataType="xsd:integer" dictRef="x:serial" size="156">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</array>
                     <array dataType="xsd:string" dictRef="x:label" size="156">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V</array>
                     <array dataType="xsd:double" dictRef="g:orbitalener" size="156">-100.720426 -100.720426 -100.719250 -65.584340 -9.943078 -9.942256 -9.921981 -9.921957 -9.920790 -9.920727 -9.920021 -9.199613 -9.199600 -9.198463 -7.023236 -7.023233 -7.021999 -7.012628 -7.012626 -7.012487 -7.012482 -7.011547 -7.011388 -5.201026 -3.613062 -3.612984 -3.608807 -0.799529 -0.790480 -0.763137 -0.762247 -0.725373 -0.689426 -0.649330 -0.562428 -0.547897 -0.496563 -0.474385 -0.439303 -0.427571 -0.398631 -0.394108 -0.386918 -0.384709 -0.373854 -0.366130 -0.332334 -0.322941 -0.314940 -0.308994 -0.308629 -0.297729 -0.294954 -0.294395 -0.286406 -0.240415 -0.234174 -0.106558 -0.056053 -0.054457 -0.031119 -0.030452 0.029572 0.073100 0.079318 0.110291 0.115610 0.121779 0.131382 0.140959 0.143649 0.161653 0.198000 0.214653 0.241393 0.248469 0.250757 0.268443 0.285205 0.286025 0.299992 0.304017 0.331533 0.333661 0.334058 0.351335 0.356950 0.363598 0.383876 0.386239 0.387961 0.413948 0.431871 0.432806 0.463117 0.480841 0.486870 0.566398 0.586668 0.589192 0.593459 0.598583 0.618362 0.644270 0.652762 0.679412 0.690871 0.699022 0.716445 0.724742 0.741710 0.742164 0.759455 0.825110 0.827340 0.893091 0.897799 0.915301 0.920907 0.973103 1.017912 1.052334 1.075648 1.087787 1.141781 1.207065 1.290332 1.305457 1.473795 4.687390 4.708193 4.776653 5.327996 5.846361 5.858552 5.881143 5.887811 5.890475 5.894815 5.908825 5.922949 5.926203 8.618458 8.633173 8.720485 22.300310 22.512847 22.536604 22.594215 22.636650 22.655945 22.757882 142.647682 217.483423 217.501447 217.606081</array>
                     <array dataType="xsd:double" dictRef="g:kineticener" size="156">137.016896 137.016928 137.016925 92.155635 15.955231 15.956397 15.953866 15.956251 15.955956 15.955978 15.956336 21.397608 21.397537 21.397508 20.480692 20.480725 20.480785 20.496221 20.496261 20.496336 20.496448 20.496118 20.496289 13.064257 12.101913 12.102371 12.105367 1.959063 2.283412 3.189377 3.190126 1.561665 1.607359 1.599252 1.429116 1.526540 2.032634 1.138759 1.195509 1.356669 1.446570 1.583913 1.339719 1.465015 1.974706 1.744592 1.178596 1.439738 1.381925 2.256926 2.261092 2.077059 2.360045 2.386761 2.482551 1.153804 1.300798 3.038596 1.656979 1.429100 2.179550 2.118580 1.598767 1.492259 1.209837 1.252117 1.306940 1.221398 1.164436 1.316117 1.367270 1.360473 0.793357 1.144605 1.469387 1.203472 1.382352 1.407173 1.492054 1.507179 2.022410 1.613587 2.062467 1.504421 1.482023 2.107605 2.064256 1.758991 1.838111 1.595109 1.794156 2.034453 2.031548 2.388437 1.761531 2.339042 1.921192 2.771507 2.922471 3.046097 2.650578 2.415746 3.300247 2.094474 2.518473 3.148499 3.346021 2.994310 3.175151 2.987449 3.089876 2.818588 3.266897 3.369778 3.158222 3.014820 3.059284 3.038431 3.180665 3.130993 3.129730 3.223408 2.669440 2.745765 2.554912 2.652763 2.765435 2.712605 2.895947 9.720445 9.744153 10.378523 21.198435 16.516144 16.511757 16.512198 16.516230 16.515497 16.756146 16.509883 16.483034 16.474457 34.731400 34.746550 34.801455 57.408032 57.411226 57.406339 57.401390 57.384924 57.395439 57.380939 369.660462 561.690226 561.710916 561.825508</array>
                  </module>
                  <scalar dataType="xsd:string" dictRef="g:totalkineticener">1.933572253482D+03</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT377.900S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Tue Jun  6 09:39:47 2017</scalar>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="18">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="18">Cl Cl Cl Si C C C C C C C H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="18">-0.207571 -0.205602 -0.205593 0.775978 -0.985971 0.506068 -0.385827 -0.385980 -0.225438 -0.225423 -0.241292 0.293442 0.293415 0.246034 0.246081 0.235435 0.235402 0.236841</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="52">-9.94226 -9.92198 -9.92196 -9.92079 -9.92073 -9.92002 -9.19961 -9.19960 -9.19846 -7.02324 -7.02323 -7.02200 -7.01263 -7.01263 -7.01249 -7.01248 -7.01155 -7.01139 -5.20103 -3.61306 -3.61298 -3.60881 -0.79953 -0.79048 -0.76314 -0.76225 -0.72537 -0.68943 -0.64933 -0.56243 -0.54790 -0.49656 -0.47438 -0.43930 -0.42757 -0.39863 -0.39411 -0.38692 -0.38471 -0.37385 -0.36613 -0.33233 -0.32294 -0.31494 -0.30899 -0.30863 -0.29773 -0.29495 -0.29439 -0.28641 -0.24041 -0.23417</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="99">-0.10656 -0.05605 -0.05446 -0.03112 -0.03045 0.02957 0.07310 0.07932 0.11029 0.11561 0.12178 0.13138 0.14096 0.14365 0.16165 0.19800 0.21465 0.24139 0.24847 0.25076 0.26844 0.28520 0.28603 0.29999 0.30402 0.33153 0.33366 0.33406 0.35133 0.35695 0.36360 0.38388 0.38624 0.38796 0.41395 0.43187 0.43281 0.46312 0.48084 0.48687 0.56640 0.58667 0.58919 0.59346 0.59858 0.61836 0.64427 0.65276 0.67941 0.69087 0.69902 0.71644 0.72474 0.74171 0.74216 0.75946 0.82511 0.82734 0.89309 0.89780 0.91530 0.92091 0.97310 1.01791 1.05233 1.07565 1.08779 1.14178 1.20706 1.29033 1.30546 1.47380 4.68739 4.70819 4.77665 5.32800 5.84636 5.85855 5.88114 5.88781 5.89048 5.89482 5.90882 5.92295 5.92620 8.61846 8.63317 8.72049 22.30031 22.51285 22.53660 22.59421 22.63665 22.65595 22.75788 142.64768 217.48342 217.50145 217.60608</array>
                     <module cmlx:templateRef="l601.orbital.closedshell">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="156">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</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="cc:occupation"
                               size="156">O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V</array>
                        <array dataType="xsd:double" dictRef="cc:eigenvalues" size="156">-100.72043 -100.72043 -100.71925 -65.58434 -9.94308 -9.94226 -9.92198 -9.92196 -9.92079 -9.92073 -9.92002 -9.19961 -9.19960 -9.19846 -7.02324 -7.02323 -7.02200 -7.01263 -7.01263 -7.01249 -7.01248 -7.01155 -7.01139 -5.20103 -3.61306 -3.61298 -3.60881 -0.79953 -0.79048 -0.76314 -0.76225 -0.72537 -0.68943 -0.64933 -0.56243 -0.54790 -0.49656 -0.47438 -0.43930 -0.42757 -0.39863 -0.39411 -0.38692 -0.38471 -0.37385 -0.36613 -0.33233 -0.32294 -0.31494 -0.30899 -0.30863 -0.29773 -0.29495 -0.29439 -0.28641 -0.24041 -0.23417 -0.10656 -0.05605 -0.05446 -0.03112 -0.03045 0.02957 0.07310 0.07932 0.11029 0.11561 0.12178 0.13138 0.14096 0.14365 0.16165 0.19800 0.21465 0.24139 0.24847 0.25076 0.26844 0.28520 0.28603 0.29999 0.30402 0.33153 0.33366 0.33406 0.35133 0.35695 0.36360 0.38388 0.38624 0.38796 0.41395 0.43187 0.43281 0.46312 0.48084 0.48687 0.56640 0.58667 0.58919 0.59346 0.59858 0.61836 0.64427 0.65276 0.67941 0.69087 0.69902 0.71644 0.72474 0.74171 0.74216 0.75946 0.82511 0.82734 0.89309 0.89780 0.91530 0.92091 0.97310 1.01791 1.05233 1.07565 1.08779 1.14178 1.20706 1.29033 1.30546 1.47380 4.68739 4.70819 4.77665 5.32800 5.84636 5.85855 5.88114 5.88781 5.89048 5.89482 5.90882 5.92295 5.92620 8.61846 8.63317 8.72049 22.30031 22.51285 22.53660 22.59421 22.63665 22.65595 22.75788 142.64768 217.48342 217.50145 217.60608</array>
                        <matrix cols="156"
                                dataType="xsd:double"
                                dictRef="g:orbitalcoeff"
                                rows="156">0.00004 0.00002 0.39718 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00109 -0.00001 -0.11684 0.00000 0.00000 -0.00133 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00009 0.00000 -0.00001 0.00000 0.00000 0.01097 0.01477 -0.00001 0.02962 -0.00358 0.00000 -0.00373 0.00000 0.00317 -0.00857 0.00186 0.00000 -0.00201 0.00540 0.00000 0.00000 0.00073 0.00561 0.00000 -0.00046 0.00013 0.00000 0.00000 -0.00047 0.00032 0.00000 0.00026 0.00000 0.00000 0.00033 -0.00545 0.00204 0.00000 0.00000 -0.00743 0.00094 0.00165 0.00005 -0.00046 0.00000 -0.00029 0.00000 0.00000 -0.00093 0.00036 0.00000 -0.00038 -0.00198 0.00000 0.00318 0.00076 0.00000 -0.00334 -0.00712 0.00000 0.00030 0.00000 0.00000 -0.00198 0.00000 0.00192 -0.00278 0.00158 0.00000 -0.00271 0.00384 0.00000 -0.00439 -0.00133 0.00000 -0.01063 0.00000 -0.01610 0.00242 0.00000 -0.00258 0.00000 -0.00057 -0.00561 0.00000 0.00000 0.00000 -0.00207 -0.00001 -0.00665 -0.00668 0.00002 0.01664 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                           <scalar dataType="xsd:string" dictRef="x:label">10PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3   Cl 1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">7PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">7PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">7PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">8PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">8PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">8PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">9PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">9PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">9PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4   Si 1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">7PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">7PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">7PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">8PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">8PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">8PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">9PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">9PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">9PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5   C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6   C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">7   C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">8   C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">9   C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">11  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">12  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">13  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">14  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">15  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">16  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">17  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">18  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        </list>
                     </module>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                     <module cmlx:templateRef="l601.grossorbpop">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="156">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</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="x:label"
                               size="156">1   Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3   Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|4   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|5   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12  H  1S|2S|13  H  1S|2S|14  H  1S|2S|15  H  1S|2S|16  H  1S|2S|17  H  1S|2S|18  H  1S|2S</array>
                        <matrix cols="1"
                                dataType="xsd:double"
                                dictRef="g:totaloccup"
                                rows="156">0.74385 1.22400 0.97444 1.01210 1.07633 0.96136 1.78986 1.80054 1.79689 0.22858 0.22769 0.22816 0.75387 0.89207 0.84312 0.81585 0.96011 0.91462 0.74385 1.22400 0.97451 1.01183 1.07858 0.95836 1.80075 1.79044 1.79605 0.22770 0.22851 0.22808 0.89420 0.76180 0.83386 0.96775 0.81664 0.90055 0.74385 1.22400 0.97451 1.01183 1.07858 0.95837 1.80075 1.79045 1.79605 0.22770 0.22851 0.22808 0.89419 0.76188 0.83378 0.96774 0.81673 0.90047 0.74975 1.22028 0.89868 1.08235 0.90751 0.38568 1.97344 1.96999 1.97309 0.00944 0.01055 0.00946 0.43558 0.39738 0.43148 0.24078 0.22494 0.24326 1.17421 0.81423 0.70241 0.86979 0.87405 0.94263 0.89551 0.11799 0.37094 0.22194 1.17441 0.81405 0.75273 0.38607 0.85043 0.92557 0.80022 -0.10486 -0.23248 0.14107 1.17440 0.81406 0.75383 0.54822 0.89885 0.92509 0.78402 0.08317 0.15866 0.22791 1.17440 0.81406 0.75383 0.54822 0.89885 0.92510 0.78402 0.08315 0.15871 0.22788 1.17442 0.81415 0.75706 0.51962 0.89333 0.93525 0.77329 0.04877 0.09092 0.21025 1.17442 0.81415 0.75706 0.51962 0.89333 0.93524 0.77330 0.04879 0.09088 0.21027 1.17443 0.81417 0.75632 0.53715 0.91369 0.90898 0.77712 0.15718 -0.03104 0.22670 0.50160 0.19763 0.50160 0.19762 0.51521 0.24492 0.51521 0.24492 0.51532 0.25306 0.51532 0.25305 0.51521 0.25112</matrix>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="18">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="18">Cl Cl Cl Si C C C C C C C H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="18">-0.243436 -0.237467 -0.237467 0.836357 -0.983703 0.492800 -0.368229 -0.368220 -0.217069 -0.217073 -0.234708 0.300771 0.300774 0.239878 0.239874 0.231628 0.231630 0.233662</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.dipole">
                     <array cmlx:templateRef="dipole"
                            dataType="xsd:double"
                            dictRef="x:d"
                            size="3">-1.23788451e+00 -5.75108620e-05 -7.17603619e-01</array>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-3.1464 -0.0001 -1.8240</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">3.6368</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-99.4657 -90.5755 -96.6207</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.0003 -5.1620 -0.0008</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-3.9117 4.9784 -1.0668 -0.0003 -5.1620 -0.0008</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-298.7448 0.0164 -38.8614 -93.7647 0.0117 5.4223 -73.5768 0.0075 -18.1726 0.0023</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-3597.5399 -812.9958 -565.6389 0.0967 -46.5293 0.0826 0.0260 -27.9114 0.0308 -718.5635 -707.1644 -236.9634 0.0000 -25.7356 0.0390</array>
                  </list>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-1939.947218</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">3.819E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">1.792E-4</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">-2.9082478,3.7013527,-0.7931049,-0.0002496,-3.8378518,-0.0006239</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C7H7Cl3Si1)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-1.2378845 -0.0000575 -0.7176036</array>
                  <array dataType="xsd:double" dictRef="cc:forceConstants" size="1">@</array>
               </module>
            </module>
            <molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Cl"
                        id="a1"
                        x3="4.13626748"
                        y3="-0.00056552"
                        z3="-0.96946459">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">0.000510603 -0.000000080 -0.000164776</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">0.000117967 -0.000199414 0.000056062</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">0.000118601 0.000198075 0.000056849</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">-0.000754387 0.000001292 -0.000034737</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">-0.000492854 -0.000001225 0.000247994</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">0.000019033 0.000004626 0.000019409</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">0.000249415 -0.000212173 -0.000046172</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">0.000251465 0.000203498 -0.000049371</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">-0.000039311 -0.000008395 -0.000008376</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">-0.000043785 0.000011611 -0.000006974</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">0.000195389 0.000001479 -0.000058816</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">0.000037709 0.000213456 -0.000048810</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">0.000037993 -0.000212007 -0.000048850</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">-0.000155640 -0.000065593 0.000016517</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">-0.000155801 0.000066811 0.000018152</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">0.000009047 -0.000121334 0.000031319</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">0.000009872 0.000120240 0.000030686</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">0.000084682 -0.000000866 -0.000010108</array>
                     </property>
                  </atom>
                  <atom elementType="Cl"
                        id="a2"
                        x3="2.12299729"
                        y3="1.77180978"
                        z3="1.32937155"/>
                  <atom elementType="Cl"
                        id="a3"
                        x3="2.12264792"
                        y3="-1.77158192"
                        z3="1.33012095"/>
                  <atom elementType="Si"
                        id="a4"
                        x3="2.2170254"
                        y3="-0.00016575"
                        z3="0.06741593"/>
                  <atom elementType="C"
                        id="a5"
                        x3="0.81637018"
                        y3="-0.00032193"
                        z3="-1.22383101"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-0.58508546"
                        y3="-0.00010588"
                        z3="-0.63817107"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.24914583"
                        y3="1.22289259"
                        z3="-0.35903222"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-1.24929776"
                        y3="-1.22290257"
                        z3="-0.35854419"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-2.55337391"
                        y3="1.22295317"
                        z3="0.18247234"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-2.55351821"
                        y3="-1.22260407"
                        z3="0.18296496"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-3.21043301"
                        y3="0.00026792"
                        z3="0.4543954"/>
                  <atom elementType="H"
                        id="a12"
                        x3="0.99088563"
                        y3="-0.89191643"
                        z3="-1.8547073"/>
                  <atom elementType="H"
                        id="a13"
                        x3="0.99101532"
                        y3="0.89097431"
                        z3="-1.85508783"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-0.74389409"
                        y3="2.17442601"
                        z3="-0.56362708"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-0.74416809"
                        y3="-2.17457866"
                        z3="-0.5627906"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-3.05526695"
                        y3="2.17437277"
                        z3="0.39051484"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-3.05552966"
                        y3="-2.17387502"
                        z3="0.39139541"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-4.22279627"
                        y3="0.00042121"
                        z3="0.87320451"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">218.5193999999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:11,9,10,7,8,5,6,1,2,3,4/E:(2,3)(4,5)(8,9,10)/CRV:1.3,2.3,3.3,4.3,5.3,7.3/rA:18ClClClSiCC3C3C3C3C3C3HHHHHHH/rB:;;s1s2s3;s4;s5;s6;s6;s7;s8;s9s10;s5;s5;s7;s8;s9;s10;s11;/rC:;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-KIMIK2123</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000069863</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">10-Jun-2017</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">24-Apr-2013</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:degfreedom">
                  <scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">48</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C7H7Cl3Si)]</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RPBEPBE</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">freq=noraman</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">PBEPBE/SDD</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Cl"
                        id="a1"
                        x3="4.13627"
                        y3="-0.00057"
                        z3="-0.96947"/>
                  <atom elementType="Cl"
                        id="a2"
                        x3="2.1230"
                        y3="1.77181"
                        z3="1.32937"/>
                  <atom elementType="Cl"
                        id="a3"
                        x3="2.12265"
                        y3="-1.77158"
                        z3="1.33012"/>
                  <atom elementType="Si"
                        id="a4"
                        x3="2.21703"
                        y3="-0.00017"
                        z3="0.06742"/>
                  <atom elementType="C"
                        id="a5"
                        x3="0.81637"
                        y3="-0.00032"
                        z3="-1.22383"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-0.58509"
                        y3="-0.00011"
                        z3="-0.63817"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.24915"
                        y3="1.22289"
                        z3="-0.35903"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-1.2493"
                        y3="-1.2229"
                        z3="-0.35854"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-2.55337"
                        y3="1.22295"
                        z3="0.18247"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-2.55352"
                        y3="-1.2226"
                        z3="0.18297"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-3.21043"
                        y3="0.00027"
                        z3="0.4544"/>
                  <atom elementType="H"
                        id="a12"
                        x3="0.99089"
                        y3="-0.89192"
                        z3="-1.85471"/>
                  <atom elementType="H"
                        id="a13"
                        x3="0.99102"
                        y3="0.89097"
                        z3="-1.85509"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-0.74389"
                        y3="2.17443"
                        z3="-0.56363"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-0.74417"
                        y3="-2.17458"
                        z3="-0.56279"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-3.05527"
                        y3="2.17437"
                        z3="0.39052"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-3.05553"
                        y3="-2.17388"
                        z3="0.3914"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-4.2228"
                        y3="0.00042"
                        z3="0.87321"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
               </bondArray>
               <formula concise="C 7 H 7 Cl 3 Si 1"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">218.5193999999999</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:11,9,10,7,8,5,6,1,2,3,4/E:(2,3)(4,5)(8,9,10)/CRV:1.3,2.3,3.3,4.3,5.3,7.3/rA:18ClClClSiCC3C3C3C3C3C3HHHHHHH/rB:;;s1s2s3;s4;s5;s6;s6;s7;s8;s9s10;s5;s5;s7;s8;s9;s10;s11;/rC:;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g09</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-29356.inp" -scrdir="/scratch/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">chk=000069863-Freq.chk</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=8</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=31GB</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p freq=noraman PBEPBE/SDD</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/10=4,30=1,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5,98=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">8/6=4,10=90,11=11/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">11/6=1,8=1,9=11,15=111,16=1/1,2,10</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">10/6=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,18=1,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/8=1,10=1,25=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/10=4,30=1/3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">000069863</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="18">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="18">35 35 35 28 12 12 12 12 12 12 12 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="18">34.9688527 34.9688527 34.9688527 27.9769284 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="18">3 3 3 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="18">0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000</array>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">(Enter /mnt/data/applications/G09/g09/l101.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Initialization pass.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.trust">
                     <scalar dataType="xsd:double" dictRef="g:trustrad">3.00e-01</scalar>
                     <scalar dataType="xsd:double" dictRef="g:fncerr">1.00e-07</scalar>
                     <scalar dataType="xsd:double" dictRef="g:grderr">1.00e-07</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:nstep">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:allowedstep">2</scalar>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Search for a local minimum.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.itemconverge">
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
                        <array dataType="xsd:double" dictRef="g:value" size="4">0.000761 0.000180 0.006494 0.002873</array>
                        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000450 0.000300 0.001800 0.001200</array>
                        <array dataType="xsd:string" dictRef="g:converged" size="4">NO YES NO NO</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-5.307132e-06</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis">
                     <scalar dataType="xsd:string" dictRef="cc:basis">SDD</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 10F)</scalar>
                     <module cmlx:templateRef="ernie">
                        <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                        <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                        <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                     </module>
                     <scalar dataType="xsd:double" dictRef="cc:nucrepener">942.3453588055</scalar>
                     <module cmlx:templateRef="symaddnuc">
                        <scalar dataType="xsd:integer" dictRef="cc:basiscount">156</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:primbasis">340</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">156</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:alphae">57</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:betae">57</scalar>
                     </module>
                     <scalar dataType="xsd:string" dictRef="g:misc">IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX=  0.000000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
                     <module cmlx:templateRef="natoms">
                        <scalar dataType="xsd:integer" dictRef="cc:natoms">18</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">18</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">18</scalar>
                        <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                        <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                     </module>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl"
                                 id="a1"
                                 x3="4.136267"
                                 y3="-0.000566"
                                 z3="-0.969465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a2"
                                 x3="2.122997"
                                 y3="1.77181"
                                 z3="1.329372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a3"
                                 x3="2.122648"
                                 y3="-1.771582"
                                 z3="1.330121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a4"
                                 x3="2.217025"
                                 y3="-0.000166"
                                 z3="0.067416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="0.81637"
                                 y3="-0.000322"
                                 z3="-1.223831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-0.585085"
                                 y3="-0.000106"
                                 z3="-0.638171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.249146"
                                 y3="1.222893"
                                 z3="-0.359032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-1.249298"
                                 y3="-1.222903"
                                 z3="-0.358544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-2.553374"
                                 y3="1.222953"
                                 z3="0.182472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-2.553518"
                                 y3="-1.222604"
                                 z3="0.182965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-3.210433"
                                 y3="0.000268"
                                 z3="0.454395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="0.990886"
                                 y3="-0.891916"
                                 z3="-1.854707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="0.991015"
                                 y3="0.890974"
                                 z3="-1.855088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-0.743894"
                                 y3="2.174426"
                                 z3="-0.563627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-0.744168"
                                 y3="-2.174579"
                                 z3="-0.562791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-3.055267"
                                 y3="2.174373"
                                 z3="0.390515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-3.05553"
                                 y3="-2.173875"
                                 z3="0.391395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-4.222796"
                                 y3="0.000421"
                                 z3="0.873205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a2 a4" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a14" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a15" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a9 a16" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                        </bondArray>
                        <formula concise="C 7 H 7 Cl 3 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">218.5193999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:11,9,10,7,8,5,6,1,2,3,4/E:(2,3)(4,5)(8,9,10)/CRV:1.3,2.3,3.3,4.3,5.3,7.3/rA:18ClClClSiCC3C3C3C3C3C3HHHHHHH/rB:;;s1s2s3;s4;s5;s6;s6;s7;s8;s9s10;s5;s5;s7;s8;s9;s10;s11;/rC:;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="171">0.000000 3.532595 0.000000 3.532599 3.543392 0.000000 2.181424 2.177446 2.177440 0.000000 3.329627 3.371435 3.371408 1.905034 0.000000 4.732961 3.787429 3.787363 2.889580 1.518905 0.000000 5.556272 3.810953 4.815508 3.700280 2.551566 1.419374 0.000000 5.556226 4.815573 3.810861 3.700260 2.551551 1.419367 2.445796 0.000000 6.897482 4.846140 5.670055 4.926050 3.850878 2.458351 1.412175 2.824097 0.000000 6.897441 5.670146 4.846016 4.926032 3.850869 2.458352 2.824111 1.412169 2.445557 0.000000 7.483407 5.687655 5.687539 5.441236 4.362521 2.843616 2.450127 2.450116 1.414435 1.414435 0.000000 3.386972 4.302961 3.492539 2.448100 1.106074 2.181506 3.424501 2.714126 4.602667 4.101739 4.876374 0.000000 3.387002 3.492569 4.302947 2.448112 1.106072 2.181514 2.714162 3.424489 4.101775 4.602672 4.876396 1.782890 0.000000 5.358289 3.458990 5.232048 3.727480 2.756777 2.181597 1.096610 3.440834 2.176277 3.920708 3.441968 3.752173 2.514961 0.000000 5.358205 5.232103 3.458924 3.727452 2.756746 2.181587 3.440834 1.096613 3.920697 2.176271 3.441960 2.514892 3.752134 4.349005 0.000000 7.635317 5.278061 6.577555 5.712274 4.724932 3.447949 2.174674 3.919706 1.095618 3.440099 2.180571 5.551081 4.802317 2.500566 5.016309 0.000000 7.635257 6.577642 5.277933 5.712251 4.724923 3.447952 3.919719 2.174679 3.440094 1.095617 2.180565 4.802278 5.551082 5.016318 2.500573 4.348248 0.000000 8.559753 6.604165 6.604046 6.490038 5.458091 3.939188 3.443173 3.443170 2.181437 2.181447 1.095573 5.951491 5.951512 4.346670 4.346673 2.514395 2.514401 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C7H7Cl3Si</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                  </module>
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl"
                                 id="a1"
                                 x3="3.269245"
                                 y3="-0.000074"
                                 z3="-1.074007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a2"
                                 x3="1.231149"
                                 y3="1.771729"
                                 z3="1.203295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a3"
                                 x3="1.231036"
                                 y3="-1.771663"
                                 z3="1.203367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a4"
                                 x3="1.33892"
                                 y3="0.0000"
                                 z3="-0.057909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-0.047712"
                                 y3="-0.000003"
                                 z3="-1.364204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-1.455409"
                                 y3="0.000008"
                                 z3="-0.79371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-2.122529"
                                 y3="1.222909"
                                 z3="-0.521525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-2.122518"
                                 y3="-1.222887"
                                 z3="-0.521504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-3.432528"
                                 y3="1.222779"
                                 z3="0.005865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-3.432509"
                                 y3="-1.222778"
                                 z3="0.005892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-4.0924"
                                 y3="-0.000002"
                                 z3="0.270445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="0.133667"
                                 y3="-0.891465"
                                 z3="-1.993328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="0.133678"
                                 y3="0.891425"
                                 z3="-1.993369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-1.615163"
                                 y3="2.174515"
                                 z3="-0.720472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-1.615147"
                                 y3="-2.17449"
                                 z3="-0.720465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-3.936703"
                                 y3="2.174125"
                                 z3="0.208657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-3.936677"
                                 y3="-2.174123"
                                 z3="0.208708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-5.109226"
                                 y3="0.000004"
                                 z3="0.6783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a2 a4" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a14" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a15" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a9 a16" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                        </bondArray>
                        <formula concise="C 7 H 7 Cl 3 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">218.5193999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:11,9,10,7,8,5,6,1,2,3,4/E:(2,3)(4,5)(8,9,10)/CRV:1.3,2.3,3.3,4.3,5.3,7.3/rA:18ClClClSiCC3C3C3C3C3C3HHHHHHH/rB:;;s1s2s3;s4;s5;s6;s6;s7;s8;s9s10;s5;s5;s7;s8;s9;s10;s11;/rC:;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">1.0098992 0.3618942 0.3324892</array>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="6">1 Symmetry operations used in ECPInt.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">ECPInt: NShTT= 4656 NPrTT= 21569 LenC2= 4093 LenP2D= 12697.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="6">LDataN: DoStor=T MaxTD1= 2 Len= 12</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="8">NBasis= 156 RedAO= T EigKep= 1.16D-03 NBF= 156</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 156 1.00D-06 EigRej= -1.00D+00 NBFU= 156</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">NSgBfM= 151 151 151 151 151 MxSgAt= 18 MxSgA2= 18.</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l303.basis">
                  <list cmlx:templateRef="l303">
                     <scalar dataType="xsd:integer" dictRef="g:dipdrv">1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">0</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.73085511415</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.41608345206</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.314771662092</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.87505800065</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.458974548589</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.92427430716</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.049216306504</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94169157573</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.017417268577</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94561946788</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.003927892148</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94688945610</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.001269988223</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94703694605</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000147489941</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94704736450</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000010418459</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94704881053</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001446023</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94720429368</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000155483148</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94720478056</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000486881</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94720473093</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000049627</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94720480965</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000078718</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94720481075</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001101</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94720481106</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000312</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94720481114</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000079</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1939.94720481113</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000009</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l502.footer">
                     <list cmlx:templateRef="scfdone">
                        <list>
                           <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1939.94720481</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">18</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.933572309922e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-6.479908291770e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.664043418232e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral symmetry usage will be decided dynamically.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Keep J ints in memory in canonical form, NReq=77017279.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=       94030 IEndB=       94030 NGot=  4160749568 MDV=  4085667158</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=  4085667158 LenY=  4085642381</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NMat0=    1 NMatS0=  12246 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Symmetry not used in FoFCou.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral accuracy reduced to 1.0D-05 until final iterations.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l1101">
                  <list cmlx:templateRef="l1101">
                     <scalar dataType="xsd:string" dictRef="g:l1101">Using compressed storage, NAtomX=    18.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1101">Will process     19 centers per pass.</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l1002.minotr">
                  <list cmlx:templateRef="l1002">
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="4">Minotr: Closed shell wavefunction.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="1">IDoAtm=111111111111111111</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="3">Direct CPHF calculation.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="7">Differentiating once with respect to electric field.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">with respect to dipole field.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="7">Differentiating once with respect to nuclear coordinates.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="8">Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="8">Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="7">NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">MDV= 4160749228 using IRadAn= 2.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">Generate precomputed XC quadrature information.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">Keep J ints in memory in canonical form, NReq=76928899.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="8">FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">NMat0= 1 NMatS0= 12246 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">Symmetry not used in FoFCou.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">Solving linear equations simultaneously, MaxMat= 0.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="14">There are 57 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">54 vectors produced by pass 0 Test12= 9.90D-15 1.75D-09 XBig12= 2.92D+02 8.68D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">AX will form 54 AO Fock derivatives at one time.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">54 vectors produced by pass 1 Test12= 9.90D-15 1.75D-09 XBig12= 3.97D+01 1.19D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">54 vectors produced by pass 2 Test12= 9.90D-15 1.75D-09 XBig12= 2.86D-01 8.76D-02.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">54 vectors produced by pass 3 Test12= 9.90D-15 1.75D-09 XBig12= 2.21D-04 2.22D-03.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">47 vectors produced by pass 4 Test12= 9.90D-15 1.75D-09 XBig12= 6.57D-08 5.26D-05.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">6 vectors produced by pass 5 Test12= 9.90D-15 1.75D-09 XBig12= 8.85D-12 2.93D-07.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">3 vectors produced by pass 6 Test12= 9.90D-15 1.75D-09 XBig12= 1.56D-15 4.95D-09.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">InvSVY: IOpt=1 It= 1 EMax= 1.07D-14</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">Solved reduced A of dimension 272 with 57 vectors.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">FullF1: Do perturbations 1 to 3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="7">Isotropic polarizability for W= 0.000000 123.28 Bohr**3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">End of Minotr F.D. properties file 721 does not exist.</array>
                  </list>
               </module>
               <module cmlx:templateRef="l601.polariz">
                  <array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">159.937 0.000 124.653 -21.329 0.000 85.253</array>
                  <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">268.689 0.001 264.378 -59.376 -0.001 152.358</array>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /mnt/data/applications/G09/g09/l716.exe)</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT422.100S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2017-06-10T16:38:50.000+02:00</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="57">-100.72042 -100.72042 -100.71925 -65.58434 -9.94308 -9.94226 -9.92198 -9.92196 -9.92079 -9.92073 -9.92002 -9.19961 -9.19960 -9.19846 -7.02323 -7.02323 -7.02200 -7.01263 -7.01262 -7.01248 -7.01248 -7.01155 -7.01139 -5.20103 -3.61306 -3.61298 -3.60881 -0.79953 -0.79048 -0.76314 -0.76225 -0.72537 -0.68943 -0.64933 -0.56243 -0.54790 -0.49656 -0.47438 -0.43930 -0.42757 -0.39863 -0.39411 -0.38692 -0.38471 -0.37385 -0.36613 -0.33233 -0.32294 -0.31494 -0.30899 -0.30863 -0.29773 -0.29495 -0.29439 -0.28640 -0.24041 -0.23418</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="99">-0.10656 -0.05605 -0.05446 -0.03112 -0.03045 0.02957 0.07310 0.07932 0.11029 0.11561 0.12178 0.13138 0.14096 0.14365 0.16165 0.19800 0.21465 0.24140 0.24847 0.25076 0.26844 0.28521 0.28603 0.29999 0.30402 0.33153 0.33366 0.33406 0.35134 0.35695 0.36360 0.38388 0.38625 0.38796 0.41395 0.43187 0.43281 0.46311 0.48085 0.48687 0.56640 0.58667 0.58919 0.59346 0.59858 0.61836 0.64428 0.65276 0.67941 0.69087 0.69902 0.71644 0.72474 0.74171 0.74216 0.75945 0.82511 0.82734 0.89309 0.89780 0.91530 0.92091 0.97310 1.01791 1.05234 1.07565 1.08779 1.14178 1.20706 1.29033 1.30546 1.47380 4.68739 4.70820 4.77666 5.32800 5.84636 5.85855 5.88115 5.88781 5.89048 5.89481 5.90882 5.92295 5.92620 8.61846 8.63317 8.72049 22.30031 22.51285 22.53660 22.59421 22.63665 22.65595 22.75788 142.64768 217.48342 217.50145 217.60608</array>
                     <module cmlx:templateRef="l601.state">
                        <scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
                     </module>
                     <module cmlx:templateRef="mulliken">
                        <module cmlx:templateRef="l601.mullik">
                           <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                           <list cmlx:templateRef="row">
                              <array dataType="xsd:integer" dictRef="cc:serial" size="18">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="18">Cl Cl Cl Si C C C C C C C H H H H H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="18">-0.243433 -0.237482 -0.237482 0.836396 -0.983722 0.492796 -0.368226 -0.368217 -0.217069 -0.217073 -0.234716 0.300775 0.300778 0.239879 0.239875 0.231628 0.231630 0.233664</array>
                           </list>
                           <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                        </module>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="11">1 2 3 4 5 6 7 8 9 10 11</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="11">Cl Cl Cl Si C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="11">-0.243433 -0.237482 -0.237482 0.836396 -0.382169 0.492796 -0.128347 -0.128342 0.014559 0.014557 -0.001051</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.dipole">
                     <array cmlx:templateRef="dipole"
                            dataType="xsd:double"
                            dictRef="x:d"
                            size="3">-1.23010304e+00 -4.25168256e-06 -7.30949362e-01</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.polarizability">
                     <array cmlx:templateRef="polariz"
                            dataType="xsd:double"
                            dictRef="cc:polarizability"
                            size="6">1.59937132e+02 7.02124441e-05 1.24653188e+02 -2.13288952e+01 -1.00290643e-04 8.52527943e+01</array>
                  </module>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="l716.forcematrix">
                     <module cmlx:templateRef="lowfreq">
                        <array cmlx:templateRef="lowfreq"
                               dataType="xsd:double"
                               dictRef="g:1716.lowfreq"
                               size="9">-0.0029 0.0009 0.0026 5.8943 9.2759 13.6122 29.3253 52.9929 53.5091</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations">
                        <array dataType="xsd:integer" dictRef="x:serial" size="48">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</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="cc:irrep"
                               size="48">A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A</array>
                        <array dataType="xsd:double" dictRef="cc:frequency" size="48">28.5357 52.9843 53.5022 112.9583 119.5032 166.9807 171.4274 173.1998 255.1726 333.2787 372.9599 402.7977 482.0825 502.0829 504.5544 566.8233 616.6610 697.4238 702.2451 778.1956 805.5066 838.8877 854.2476 923.5595 978.0928 989.2806 999.4504 1026.5706 1073.9036 1136.0129 1175.7758 1191.6944 1209.2546 1234.3755 1328.2868 1383.2328 1410.9960 1442.0647 1482.2438 1592.5785 1611.5900 3003.6528 3070.1783 3124.5090 3125.8173 3139.0022 3150.7650 3167.2314</array>
                        <array dataType="xsd:double" dictRef="cc:redmass" size="48">6.1055 9.8153 4.9376 12.9376 9.2012 8.1982 16.5743 10.1346 8.9540 2.0151 9.4663 2.8062 3.9966 16.7653 17.8924 5.3480 6.3444 5.7937 1.6356 1.9846 4.6428 1.5835 1.3223 1.4104 1.3889 6.1198 1.3257 2.2342 1.5458 1.0893 1.0513 1.1182 2.6042 1.3563 1.2708 8.4340 1.1073 2.1931 2.2808 6.0433 6.1010 1.0585 1.1019 1.0857 1.0884 1.0918 1.0963 1.1017</array>
                        <array dataType="xsd:double" dictRef="cc:forceconst" size="48">0.0029 0.0162 0.0083 0.0973 0.0774 0.1347 0.2870 0.1791 0.3435 0.1319 0.7758 0.2683 0.5472 2.4901 2.6837 1.0124 1.4215 1.6604 0.4752 0.7081 1.7749 0.6566 0.5685 0.7088 0.7829 3.5288 0.7802 1.3872 1.0504 0.8283 0.8563 0.9356 2.2437 1.2176 1.3210 9.5077 1.2989 2.6871 2.9524 9.0308 9.3360 5.6265 6.1196 6.2446 6.2659 6.3386 6.4123 6.5114</array>
                        <array dataType="xsd:double" dictRef="cc:irintensity" size="48">0.0069 0.4809 0.3505 0.9387 0.2661 6.9572 7.1496 3.5535 4.1739 0.0004 35.5323 0.1504 47.4383 94.9754 120.1267 28.6850 0.3265 13.4407 34.9261 73.0002 6.8041 29.0342 4.7460 3.0548 0.1429 0.4422 0.0643 6.0713 19.5904 0.8335 0.0010 0.3944 0.3619 4.1080 0.6229 0.0205 14.9147 10.0749 17.0546 1.2774 1.9210 3.9083 0.0427 5.9378 0.6815 11.7428 30.3664 18.5860</array>
                        <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="18">17 17 17 14 6 6 6 6 6 6 6 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:double" dictRef="cc:displacement" size="2592">0.00 -0.12 0.00 0.13 0.09 -0.05 -0.13 0.09 0.05 0.00 0.05 0.00 0.00 0.12 0.00 0.00 0.03 0.00 -0.01 -0.02 0.20 0.01 -0.02 -0.20 -0.01 -0.11 0.20 0.01 -0.11 -0.20 0.00 -0.16 0.00 0.02 0.18 -0.08 -0.02 0.18 0.08 -0.01 0.01 0.36 0.01 0.01 -0.36 -0.01 -0.15 0.36 0.01 -0.15 -0.36 0.00 -0.23 0.00 -0.11 0.00 -0.18 0.20 -0.01 0.12 0.20 0.01 0.12 0.03 0.00 0.09 -0.04 0.00 0.16 -0.06 0.00 0.09 -0.10 0.00 0.01 -0.10 0.00 0.01 -0.17 0.00 -0.17 -0.17 0.00 -0.17 -0.21 0.00 -0.27 -0.03 0.00 0.16 -0.03 0.00 0.16 -0.08 0.00 0.07 -0.08 0.00 0.07 -0.20 0.00 -0.25 -0.20 0.00 -0.25 -0.28 0.00 -0.43 0.00 0.06 0.00 -0.12 0.00 -0.07 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 -0.07 0.00 0.14 -0.03 0.16 -0.14 -0.03 -0.16 0.14 0.06 0.16 -0.14 0.06 -0.16 0.00 0.10 0.00 -0.02 -0.21 0.07 0.02 -0.21 -0.07 0.25 -0.06 0.28 -0.25 -0.06 -0.28 0.26 0.09 0.29 -0.26 0.09 -0.29 0.00 0.17 0.00 0.19 0.00 0.26 0.09 0.14 -0.21 0.09 -0.14 -0.21 0.04 0.00 -0.03 -0.11 0.00 0.11 -0.10 0.00 0.20 -0.13 0.00 0.16 -0.13 0.00 0.16 -0.19 0.00 0.00 -0.19 0.00 0.00 -0.24 0.00 -0.10 -0.19 0.00 0.09 -0.19 0.00 0.09 -0.11 0.00 0.21 -0.11 0.00 0.21 -0.21 0.00 -0.06 -0.21 0.00 -0.06 -0.30 0.00 -0.25 0.00 0.25 0.00 0.24 0.00 0.03 -0.24 0.00 -0.03 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 -0.19 0.00 0.10 -0.14 -0.03 -0.10 -0.14 0.03 0.10 -0.01 -0.03 -0.10 -0.01 0.03 0.00 0.05 0.00 0.05 -0.39 0.21 -0.05 -0.39 -0.21 0.17 -0.18 -0.06 -0.17 -0.18 0.06 0.18 0.04 -0.05 -0.18 0.04 0.05 0.00 0.15 0.00 0.00 0.00 0.17 0.16 -0.08 0.04 0.16 0.08 0.04 -0.11 0.00 -0.08 -0.11 0.00 -0.16 -0.15 0.00 -0.25 -0.15 0.00 -0.21 -0.15 0.00 -0.21 -0.05 0.00 0.04 -0.05 0.00 0.04 0.02 0.00 0.22 -0.05 0.00 -0.14 -0.05 0.00 -0.14 -0.19 0.00 -0.30 -0.19 0.00 -0.30 -0.01 0.00 0.12 -0.01 0.00 0.12 0.12 0.00 0.48 -0.31 0.00 0.04 0.08 0.32 -0.08 0.08 -0.32 -0.08 -0.13 0.00 0.29 0.10 0.00 0.08 0.04 0.00 -0.16 0.05 0.01 -0.16 0.05 -0.01 -0.16 0.12 0.00 -0.02 0.12 0.00 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      </module>
   </module>
</module>
