<?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-KIMIK2033</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000138279</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">12-Jul-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="Si"
                        id="a1"
                        x3="-3.7638"
                        y3="-0.0003"
                        z3="0.0000"/>
                  <atom elementType="Si"
                        id="a2"
                        x3="3.7430"
                        y3="-0.0004"
                        z3="-0.0001"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-4.3953"
                        y3="-1.6977"
                        z3="-0.4894"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-4.3971"
                        y3="0.4236"
                        z3="1.7143"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-4.3977"
                        y3="1.2717"
                        z3="-1.2248"/>
                  <atom elementType="C"
                        id="a6"
                        x3="4.4019"
                        y3="1.6647"
                        z3="-0.5877"/>
                  <atom elementType="C"
                        id="a7"
                        x3="4.4007"
                        y3="-0.3242"
                        z3="1.7362"/>
                  <atom elementType="C"
                        id="a8"
                        x3="4.4000"
                        y3="-1.3426"
                        z3="-1.1483"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-1.8841"
                        y3="0.0011"
                        z3="-0.0001"/>
                  <atom elementType="C"
                        id="a10"
                        x3="1.8883"
                        y3="0.0010"
                        z3="-0.0001"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-0.6841"
                        y3="0.0017"
                        z3="0.0000"/>
                  <atom elementType="C"
                        id="a12"
                        x3="0.6882"
                        y3="0.0015"
                        z3="0.0000"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-4.0447"
                        y3="-1.9677"
                        z3="-1.4901"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-4.0444"
                        y3="-2.4591"
                        z3="0.2135"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-5.4892"
                        y3="-1.7154"
                        z3="-0.4943"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-5.4911"
                        y3="0.4269"
                        z3="1.7312"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-4.0463"
                        y3="-0.3077"
                        z3="2.4486"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-4.0477"
                        y3="1.4135"
                        z3="2.0226"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-4.0482"
                        y3="2.2737"
                        z3="-0.9584"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-4.0472"
                        y3="1.0440"
                        z3="-2.2359"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-5.4916"
                        y3="1.2834"
                        z3="-1.2369"/>
                  <atom elementType="H"
                        id="a22"
                        x3="4.0570"
                        y3="2.4681"
                        z3="0.0698"/>
                  <atom elementType="H"
                        id="a23"
                        x3="5.4958"
                        y3="1.6650"
                        z3="-0.5880"/>
                  <atom elementType="H"
                        id="a24"
                        x3="4.0567"
                        y3="1.8775"
                        z3="-1.6038"/>
                  <atom elementType="H"
                        id="a25"
                        x3="5.4946"
                        y3="-0.3250"
                        z3="1.7373"/>
                  <atom elementType="H"
                        id="a26"
                        x3="4.0557"
                        y3="0.4497"
                        z3="2.4283"/>
                  <atom elementType="H"
                        id="a27"
                        x3="4.0548"
                        y3="-1.2950"
                        z3="2.1031"/>
                  <atom elementType="H"
                        id="a28"
                        x3="5.4941"
                        y3="-1.3442"
                        z3="-1.1490"/>
                  <atom elementType="H"
                        id="a29"
                        x3="4.0541"
                        y3="-2.3286"
                        z3="-0.8243"/>
                  <atom elementType="H"
                        id="a30"
                        x3="4.0549"
                        y3="-1.1747"
                        z3="-2.1728"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a3 a13" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a5 a20" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a6 a24" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a23" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a27" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
               </bondArray>
               <formula concise="C 10 H 18 Si 2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">176.27799999999996</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/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,6,7,8,11,12,9,10,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)/CRV:7.2,8.2,9.2,10.2/rA:30SiSiCCCCCCC2C2C2C2HHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2;s2;s1;s2;s9;s10s11;s3;s3;s3;s4;s4;s4;s5;s5;s5;s6;s6;s6;s7;s7;s7;s8;s8;s8;/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-3564.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=000138279.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">000138279</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="30">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="30">28 28 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="30">27.9769284 27.9769284 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250 1.0078250 1.0078250 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="30">0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="30">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 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="29">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="29">1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 10 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="29">3 4 5 9 6 7 8 10 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 11 12 12</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="29">1.876 1.8761 1.8762 1.8797 1.8847 1.8847 1.8845 1.8547 1.0942 1.094 1.0941 1.0941 1.0941 1.0941 1.0941 1.0941 1.094 1.0939 1.0939 1.094 1.0939 1.0941 1.0939 1.0941 1.094 1.094 1.2 1.2001 1.3723</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="29">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="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="48">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 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="48">3 3 3 4 4 5 6 6 6 7 7 8 1 1 1 13 13 14 1 1 1 16 16 17 1 1 1 19 19 20 2 2 2 22 22 23 2 2 2 25 25 26 2 2 2 28 28 29</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="48">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="48">4 5 9 5 9 9 7 8 10 8 10 10 13 14 15 14 15 15 16 17 18 17 18 18 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="48">109.2193 109.2319 109.711 109.2257 109.7216 109.7144 108.4824 108.5056 110.4227 108.4982 110.432 110.4361 110.7316 110.7393 110.6326 108.2454 108.1973 108.1985 110.6295 110.7331 110.7397 108.1942 108.1938 108.2545 110.7332 110.7302 110.6283 108.2567 108.1975 108.1995 110.5626 110.4835 110.555 108.3756 108.4147 108.3742 110.4883 110.5617 110.5548 108.3743 108.3734 108.4129 110.4907 110.5629 110.5656 108.364 108.3648 108.4168</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="48">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|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="lll">
                        <array dataType="xsd:string" dictRef="g:symbol" size="8">A49 A50 A51 A52 A53 A54 A55 A56</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="8">1 2 9 10 1 2 9 10</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="8">9 10 11 12 9 10 11 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="8">11 12 12 11 11 12 12 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="8">13 26 14 29 13 26 14 29</array>
                        <array dataType="xsd:integer" dictRef="g:atom5" size="8">-1 -1 -1 -1 -2 -2 -2 -2</array>
                        <scalar dataType="xsd:double" dictRef="g:lll">179.9935</scalar>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="8">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="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">179.9988</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">179.9636</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">179.9838</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">180.0195</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">180.0265</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">179.9866</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">179.9989</scalar>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="63">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 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="63">3 3 3 4 4 4 5 5 5 4 4 4 5 5 5 9 9 9 3 3 3 5 5 5 9 9 9 3 3 3 4 4 4 9 9 9 7 7 7 8 8 8 10 10 10 6 6 6 8 8 8 10 10 10 6 6 6 7 7 7 10 10 10</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="63">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="63">2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="63">6 7 8 6 7 8 6 7 8 13 14 15 13 14 15 13 14 15 16 17 18 16 17 18 16 17 18 19 20 21 19 20 21 19 20 21 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="63">144.4792 -95.5204 24.462 -95.5483 24.4522 144.4346 24.4802 144.4807 -95.5369 179.6604 -60.255 59.706 60.2569 -179.6585 -59.6975 -60.0408 60.0438 -179.9953 -59.7048 60.2447 -179.658 59.7025 179.652 -60.2507 -179.997 -60.0476 60.0497 179.6526 -60.2535 59.6998 60.2531 -179.6531 -59.6997 -60.0517 60.0421 179.9955 -61.1219 58.8485 178.8123 -178.8093 -58.8388 61.125 60.0244 179.9949 -60.0413 -58.8467 61.1247 -178.8125 58.8454 178.8168 -61.1204 -179.9873 -60.016 60.0468 58.8404 178.8012 -61.1233 -58.8369 61.124 -178.8005 179.9984 -60.0407 60.0348</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="63">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|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">158</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:allowedstep">180</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">30</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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= 6786 NPrTT= 32182 LenC2= 5731 LenP2D= 17512.</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= 172 RedAO= T EigKep= 4.67D-04 NBF= 172</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 172 1.00D-06 EigRej= -1.00D+00 NBFU= 172</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 9 out of a maximum of 158</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="84">0.00033 0.00943 0.00970 0.00971 0.01075 0.01084 0.01085 0.02083 0.02220 0.02401 0.03110 0.03529 0.03967 0.04157 0.04986 0.05093 0.05421 0.05920 0.05951 0.05953 0.05977 0.05988 0.05990 0.06007 0.06020 0.06025 0.06051 0.06065 0.06066 0.06158 0.06396 0.07251 0.08326 0.14282 0.14820 0.14902 0.15611 0.15762 0.15993 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16002 0.16008 0.16011 0.16019 0.16245 0.17783 0.20397 0.20443 0.20449 0.20748 0.20892 0.20926 0.20965 0.22416 0.33828 0.34335 0.34340 0.34342 0.34343 0.34344 0.34345 0.34347 0.34349 0.34350 0.34350 0.34352 0.34355 0.34359 0.34360 0.34361 0.34368 0.37270 0.53240 0.99098 1.04800</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="3">RFO step: Lambda=-1.87800516D-07.</array>
                     <list cmlx:templateRef="iterationList">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="3">1 2 3</array>
                        <array dataType="xsd:double" dictRef="g:rmscart" size="3">0.00131749 0.00000122 0.00000000</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="3">0.00000073 0.00000062 0.00000062</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="148">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 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 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 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 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="148">3.61286 3.61206 3.61245 3.52913 3.61234 3.61316 3.61281 3.52883 2.08738 2.08744 2.08990 2.08984 2.08737 2.08742 2.08737 2.08748 2.08984 2.08739 2.08973 2.08742 2.08977 2.08746 2.08740 2.08973 2.08750 2.08739 2.36340 2.36340 2.59374 1.93209 1.93033 1.88834 1.93237 1.89042 1.88875 1.93210 1.93256 1.89041 1.93037 1.88864 1.88821 1.93473 1.93657 1.92824 1.88552 1.88863 1.88852 1.92777 1.93588 1.93589 1.88853 1.88850 1.88564 1.93659 1.93529 1.92806 1.88542 1.88851 1.88833 1.93546 1.92785 1.93576 1.88873 1.88568 1.88875 1.92860 1.93621 1.93429 1.88879 1.88883 1.88552 1.92841 1.93481 1.93628 1.88857 1.88872 1.88542 3.13822 3.14292 3.14211 3.13990 3.13910 3.14671 3.14006 3.14196 2.61679 -1.56831 0.52186 -1.57067 0.52742 2.61759 0.52710 2.62518 -1.56783 -3.11671 -1.02162 1.07296 1.01807 3.11316 -1.07545 -1.04779 1.04730 -3.14131 -1.07258 1.02125 3.11681 1.07465 -3.11471 -1.01915 -3.14023 -1.04640 1.04916 -3.11304 -1.01770 1.07569 1.02190 3.11724 -1.07256 -1.04743 1.04792 3.14130 -1.01976 1.07411 -3.11499 3.11600 -1.07332 1.02076 1.04825 -3.14107 -1.04699 -1.07518 1.01973 3.11429 1.07352 -3.11476 -1.02019 3.13893 -1.04935 1.04521 1.07112 -3.11846 -1.02363 -1.07731 1.01629 3.11112 3.14020 -1.04938 1.04545</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="148">0.00005 0.00004 0.00004 -0.00001 0.00001 0.00000 0.00000 0.00004 -0.00002 -0.00003 0.00000 0.00000 -0.00002 -0.00003 -0.00002 -0.00002 0.00000 -0.00003 0.00002 -0.00003 0.00003 -0.00003 -0.00003 0.00002 -0.00003 -0.00003 0.00008 0.00008 -0.00008 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00002 -0.00003 -0.00003 0.00004 0.00002 0.00002 -0.00004 -0.00003 -0.00002 0.00003 0.00002 0.00004 -0.00002 -0.00003 -0.00003 0.00004 0.00002 0.00003 0.00001 -0.00004 -0.00001 0.00001 0.00002 0.00001 -0.00005 0.00000 0.00001 0.00001 0.00001 0.00002 -0.00005 0.00001 0.00000 0.00001 0.00001 0.00002 -0.00001 0.00000 -0.00011 0.00003 0.00000 -0.00002 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00002 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00001 0.00000 -0.00002 0.00000 -0.00001 0.00002 0.00000 -0.00002 0.00001 0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00002 0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00001</array>
                        <array dataType="xsd:double" dictRef="cc:delta.linear" size="148">0.00009 0.00014 0.00010 -0.00007 0.00003 0.00006 0.00004 0.00003 -0.00001 -0.00001 0.00003 0.00004 -0.00001 -0.00001 -0.00001 -0.00001 0.00003 -0.00002 0.00005 -0.00001 0.00006 -0.00002 -0.00002 0.00005 -0.00002 -0.00002 0.00010 0.00011 -0.00011 -0.00004 -0.00001 0.00007 -0.00007 0.00001 0.00004 -0.00009 -0.00007 0.00007 -0.00006 0.00007 0.00009 0.00004 -0.00001 -0.00018 0.00011 0.00002 0.00002 -0.00014 0.00002 -0.00001 0.00001 0.00002 0.00010 0.00000 0.00003 -0.00017 0.00011 0.00002 0.00002 0.00008 -0.00027 0.00011 -0.00002 0.00011 -0.00001 -0.00026 0.00009 0.00012 -0.00002 -0.00002 0.00010 -0.00028 0.00010 0.00010 -0.00001 -0.00001 0.00011 0.00019 -0.00034 -0.00118 0.00037 0.00021 0.00003 0.00059 -0.00072 -0.00084 -0.00106 -0.00135 -0.00137 -0.00159 -0.00188 -0.00123 -0.00145 -0.00174 -0.00012 0.00004 -0.00006 0.00000 0.00017 0.00007 -0.00009 0.00008 -0.00002 0.00003 -0.00003 0.00011 -0.00005 -0.00012 0.00002 -0.00004 -0.00011 0.00004 -0.00017 -0.00001 -0.00008 -0.00006 0.00010 0.00003 -0.00006 0.00010 0.00003 0.00001 -0.00013 -0.00025 0.00020 0.00006 -0.00006 0.00009 -0.00005 -0.00017 0.00010 -0.00004 0.00022 -0.00009 -0.00024 0.00002 0.00003 -0.00012 0.00015 -0.00003 -0.00016 0.00011 0.00018 0.00005 0.00032 0.00007 -0.00006 0.00021</array>
                        <array dataType="xsd:double" dictRef="cc:delta.quad" size="148">0.00014 0.00006 0.00010 -0.00001 0.00005 -0.00004 0.00002 0.00007 -0.00004 -0.00004 0.00000 -0.00001 -0.00003 -0.00004 -0.00004 -0.00004 0.00000 -0.00004 0.00003 -0.00005 0.00002 -0.00005 -0.00004 0.00003 -0.00004 -0.00004 0.00001 0.00001 -0.00004 -0.00009 -0.00009 0.00001 0.00007 0.00007 0.00004 0.00002 -0.00013 -0.00001 -0.00001 0.00007 0.00007 -0.00009 -0.00005 -0.00010 0.00016 0.00004 0.00005 -0.00020 -0.00011 0.00004 0.00004 0.00006 0.00018 0.00001 -0.00013 -0.00014 0.00017 0.00005 0.00005 0.00010 -0.00014 -0.00008 -0.00002 0.00016 -0.00002 -0.00027 0.00005 0.00007 -0.00002 -0.00001 0.00019 -0.00020 0.00008 0.00000 -0.00002 -0.00002 0.00016 -0.00049 0.00056 -0.00032 0.00016 -0.00019 -0.00030 -0.00117 0.00140 0.00154 0.00202 0.00237 0.00185 0.00233 0.00267 0.00227 0.00275 0.00310 -0.00009 0.00002 -0.00002 -0.00005 0.00005 0.00002 -0.00005 0.00006 0.00002 -0.00002 -0.00017 0.00001 -0.00015 -0.00030 -0.00012 -0.00003 -0.00018 0.00000 0.00025 0.00038 0.00027 0.00037 0.00051 0.00039 0.00023 0.00036 0.00025 -0.00002 -0.00007 -0.00024 0.00007 0.00002 -0.00015 0.00007 0.00002 -0.00015 0.00027 0.00010 0.00041 0.00011 -0.00006 0.00026 0.00023 0.00006 0.00038 -0.00035 -0.00045 -0.00019 -0.00027 -0.00037 -0.00012 -0.00040 -0.00050 -0.00024</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="148">0.00023 0.00020 0.00020 -0.00008 0.00008 0.00002 0.00006 0.00010 -0.00005 -0.00005 0.00003 0.00003 -0.00004 -0.00005 -0.00005 -0.00005 0.00002 -0.00006 0.00008 -0.00006 0.00009 -0.00007 -0.00006 0.00008 -0.00006 -0.00006 0.00011 0.00012 -0.00014 -0.00013 -0.00009 0.00009 -0.00001 0.00008 0.00008 -0.00007 -0.00020 0.00006 -0.00007 0.00015 0.00016 -0.00005 -0.00007 -0.00027 0.00027 0.00006 0.00007 -0.00035 -0.00008 0.00003 0.00005 0.00008 0.00028 0.00001 -0.00009 -0.00031 0.00028 0.00007 0.00007 0.00019 -0.00041 0.00003 -0.00003 0.00026 -0.00003 -0.00053 0.00013 0.00019 -0.00004 -0.00003 0.00029 -0.00048 0.00018 0.00009 -0.00003 -0.00003 0.00027 -0.00030 0.00022 -0.00149 0.00053 0.00002 -0.00027 -0.00058 0.00069 0.00070 0.00096 0.00102 0.00047 0.00073 0.00079 0.00104 0.00130 0.00136 -0.00021 0.00006 -0.00008 -0.00005 0.00022 0.00008 -0.00014 0.00013 0.00000 0.00001 -0.00021 0.00012 -0.00020 -0.00042 -0.00010 -0.00007 -0.00028 0.00004 0.00008 0.00037 0.00019 0.00031 0.00061 0.00042 0.00017 0.00047 0.00028 -0.00001 -0.00020 -0.00049 0.00027 0.00008 -0.00021 0.00016 -0.00003 -0.00032 0.00037 0.00006 0.00064 0.00002 -0.00030 0.00028 0.00026 -0.00006 0.00052 -0.00037 -0.00061 -0.00008 -0.00009 -0.00033 0.00020 -0.00033 -0.00056 -0.00004</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="148">3.61309 3.61225 3.61265 3.52905 3.61243 3.61318 3.61287 3.52893 2.08734 2.08739 2.08993 2.08986 2.08733 2.08736 2.08732 2.08743 2.08986 2.08733 2.08981 2.08736 2.08986 2.08739 2.08734 2.08981 2.08743 2.08733 2.36352 2.36352 2.59360 1.93196 1.93024 1.88843 1.93236 1.89050 1.88883 1.93203 1.93236 1.89046 1.93030 1.88879 1.88836 1.93468 1.93650 1.92797 1.88580 1.88869 1.88859 1.92742 1.93580 1.93592 1.88859 1.88858 1.88592 1.93659 1.93519 1.92775 1.88570 1.88858 1.88840 1.93565 1.92744 1.93579 1.88870 1.88594 1.88872 1.92807 1.93634 1.93448 1.88874 1.88880 1.88581 1.92793 1.93500 1.93638 1.88854 1.88869 1.88569 3.13792 3.14314 3.14061 3.14043 3.13912 3.14645 3.13948 3.14265 2.61749 -1.56735 0.52288 -1.57020 0.52815 2.61838 0.52814 2.62649 -1.56647 -3.11692 -1.02156 1.07288 1.01802 3.11338 -1.07536 -1.04793 1.04743 -3.14131 -1.07257 1.02105 3.11692 1.07444 -3.11513 -1.01925 -3.14030 -1.04668 1.04920 -3.11296 -1.01733 1.07588 1.02221 3.11785 -1.07213 -1.04726 1.04838 3.14159 -1.01977 1.07391 -3.11548 3.11627 -1.07324 1.02056 1.04841 -3.14110 -1.04730 -1.07480 1.01979 3.11493 1.07354 -3.11506 -1.01991 3.13919 -1.04941 1.04573 1.07074 -3.11907 -1.02372 -1.07740 1.01596 3.11132 3.13988 -1.04994 1.04542</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">0.000112 0.000024 0.004337 0.001317</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">-2.565487e-07</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="29">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="29">1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 10 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="29">3 4 5 9 6 7 8 10 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 11 12 12</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="29">1.9118 1.9114 1.9116 1.8675 1.9116 1.912 1.9118 1.8674 1.1046 1.1046 1.1059 1.1059 1.1046 1.1046 1.1046 1.1046 1.1059 1.1046 1.1058 1.1046 1.1059 1.1046 1.1046 1.1058 1.1047 1.1046 1.2507 1.2507 1.3725</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="29">-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 =    0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="48">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 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="48">3 3 3 4 4 5 6 6 6 7 7 8 1 1 1 13 13 14 1 1 1 16 16 17 1 1 1 19 19 20 2 2 2 22 22 23 2 2 2 25 25 26 2 2 2 28 28 29</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="48">1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="48">4 5 9 5 9 9 7 8 10 8 10 10 13 14 15 14 15 15 16 17 18 17 18 18 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="48">110.7006 110.5997 108.1941 110.7166 108.3133 108.2174 110.7013 110.7278 108.3122 110.6023 108.2111 108.1862 110.8518 110.957 110.48 108.0325 108.2107 108.2045 110.453 110.9178 110.9181 108.205 108.2033 108.0393 110.9584 110.8838 110.4697 108.0264 108.2036 108.1935 110.8937 110.4579 110.9109 108.2165 108.0414 108.2174 110.5005 110.9365 110.8266 108.2194 108.2222 108.0325 110.4898 110.8567 110.9409 108.207 108.2157 108.0266</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="48">-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|-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>
                     <list cmlx:templateRef="lll">
                        <array dataType="xsd:string" dictRef="g:symbol" size="7">A49 A50 A51 A52 A53 A54 A55</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="7">1 2 9 10 1 2 9</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="7">9 10 11 12 9 10 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="7">11 12 12 11 11 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="7">13 26 14 29 13 26 14</array>
                        <array dataType="xsd:integer" dictRef="g:atom5" size="7">-1 -1 -1 -1 -2 -2 -2</array>
                        <scalar dataType="xsd:double" dictRef="g:lll">179.8066</scalar>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="7">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">180.0763</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">180.0294</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">179.9033</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">179.857</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">180.2934</scalar>
                     </list>
                     <list cmlx:templateRef="lll">
                        <scalar dataType="xsd:double" dictRef="g:lll">179.9123</scalar>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="62">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 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="62">3 3 3 4 4 4 5 5 5 4 4 4 5 5 5 9 9 9 3 3 3 5 5 5 9 9 9 3 3 3 4 4 4 9 9 9 7 7 7 8 8 8 10 10 10 6 6 6 8 8 8 10 10 10 6 6 6 7 7 7 10 10</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="62">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="62">2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="62">6 7 8 6 7 8 6 7 8 13 14 15 13 14 15 13 14 15 16 17 18 16 17 18 16 17 18 19 20 21 19 20 21 19 20 21 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="62">149.9308 -89.8576 29.9006 -89.9928 30.2188 149.9769 30.2004 150.412 -89.8298 -178.5742 -58.5343 61.4762 58.3311 178.371 -61.6186 -60.0341 60.0058 -179.9838 -61.4543 58.5135 178.5799 61.5727 -178.4595 -58.3931 -179.9219 -59.9542 60.1122 -178.3642 -58.3098 61.6324 58.5504 178.6048 -61.453 -60.0132 60.0412 179.9834 -58.4277 61.5419 -178.4761 178.5337 -61.4966 58.4854 60.0604 -179.9699 -59.9879 -61.603 58.4262 178.4359 61.5082 -178.4625 -58.4528 179.8474 -60.1233 59.8864 61.3705 -178.6749 -58.6498 -61.7254 58.2292 178.2543 179.9203 -60.1251</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="62">-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|-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|-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="Si"
                                 id="a1"
                                 x3="-3.7638"
                                 y3="-0.0003"
                                 z3="0.0000">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a2"
                                 x3="3.7430"
                                 y3="-0.0004"
                                 z3="-0.0001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="-4.3953"
                                 y3="-1.6977"
                                 z3="-0.4894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="-4.3971"
                                 y3="0.4236"
                                 z3="1.7143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-4.3977"
                                 y3="1.2717"
                                 z3="-1.2248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="4.4019"
                                 y3="1.6647"
                                 z3="-0.5877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="4.4007"
                                 y3="-0.3242"
                                 z3="1.7362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="4.4000"
                                 y3="-1.3426"
                                 z3="-1.1483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-1.8841"
                                 y3="0.0011"
                                 z3="-0.0001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="1.8883"
                                 y3="0.0010"
                                 z3="-0.0001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-0.6841"
                                 y3="0.0017"
                                 z3="0.0000">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="0.6882"
                                 y3="0.0015"
                                 z3="0.0000">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-4.0447"
                                 y3="-1.9677"
                                 z3="-1.4901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-4.0444"
                                 y3="-2.4591"
                                 z3="0.2135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-5.4892"
                                 y3="-1.7154"
                                 z3="-0.4943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-5.4911"
                                 y3="0.4269"
                                 z3="1.7312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-4.0463"
                                 y3="-0.3077"
                                 z3="2.4486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-4.0477"
                                 y3="1.4135"
                                 z3="2.0226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-4.0482"
                                 y3="2.2737"
                                 z3="-0.9584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-4.0472"
                                 y3="1.0440"
                                 z3="-2.2359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-5.4916"
                                 y3="1.2834"
                                 z3="-1.2369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="4.0570"
                                 y3="2.4681"
                                 z3="0.0698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="5.4958"
                                 y3="1.6650"
                                 z3="-0.5880">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="4.0567"
                                 y3="1.8775"
                                 z3="-1.6038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="5.4946"
                                 y3="-0.3250"
                                 z3="1.7373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="4.0557"
                                 y3="0.4497"
                                 z3="2.4283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="4.0548"
                                 y3="-1.2950"
                                 z3="2.1031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="5.4941"
                                 y3="-1.3442"
                                 z3="-1.1490">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="4.0541"
                                 y3="-2.3286"
                                 z3="-0.8243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="4.0549"
                                 y3="-1.1747"
                                 z3="-2.1728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a9" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a8" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a4 a18" order="S"/>
                           <bond atomRefs2="a5 a19" order="S"/>
                           <bond atomRefs2="a5 a20" order="S"/>
                           <bond atomRefs2="a5 a21" order="S"/>
                           <bond atomRefs2="a6 a24" order="S"/>
                           <bond atomRefs2="a6 a22" order="S"/>
                           <bond atomRefs2="a6 a23" order="S"/>
                           <bond atomRefs2="a7 a26" order="S"/>
                           <bond atomRefs2="a7 a27" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a8 a28" order="S"/>
                           <bond atomRefs2="a8 a30" order="S"/>
                           <bond atomRefs2="a8 a29" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a11 a12" order="S"/>
                        </bondArray>
                        <formula concise="C 10 H 18 Si 2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.27799999999996</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,6,7,8,11,12,9,10,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)/CRV:7.2,8.2,9.2,10.2/rA:30SiSiCCCCCCC2C2C2C2HHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2;s2;s1;s2;s9;s10s11;s3;s3;s3;s4;s4;s4;s5;s5;s5;s6;s6;s6;s7;s7;s7;s8;s8;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.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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                             dataType="xsd:double"
                             dictRef="g:totaloccup"
                             rows="172">0.74950 1.22063 0.89544 1.08609 0.80303 0.27430 1.97185 1.97711 1.97711 0.01163 0.00916 0.00916 0.41269 0.46294 0.46291 0.11637 0.14679 0.14689 0.74950 1.22063 0.89535 1.08620 0.80228 0.27482 1.97252 1.97685 1.97685 0.01133 0.00928 0.00928 0.41905 0.46086 0.46080 0.10761 0.15300 0.15311 1.17412 0.81443 0.70648 0.81658 0.91566 0.94347 0.92083 0.22813 0.26413 0.23456 1.17412 0.81443 0.70647 0.81661 0.91563 0.92033 0.94396 0.22816 0.23393 0.26479 1.17412 0.81443 0.70646 0.81661 0.91568 0.93263 0.93163 0.22815 0.25004 0.24871 1.17413 0.81444 0.70643 0.81573 0.91491 0.94035 0.92066 0.22861 0.26376 0.23476 1.17413 0.81444 0.70642 0.81577 0.91490 0.91870 0.94228 0.22862 0.23196 0.26667 1.17413 0.81444 0.70642 0.81582 0.91483 0.93248 0.92855 0.22861 0.25217 0.24641 1.17461 0.81353 0.74058 0.62422 1.00386 0.76604 0.76603 -0.11641 0.20095 0.20095 1.17459 0.81355 0.74006 0.62958 1.00729 0.77006 0.77005 -0.12117 0.20327 0.20330 1.17442 0.81363 0.75224 0.35010 0.97886 0.82134 0.82133 0.15897 0.18311 0.18310 1.17442 0.81363 0.75269 0.34544 0.97942 0.81956 0.81955 0.15548 0.17950 0.17948 0.50663 0.24646 0.50669 0.24637 0.50665 0.25332 0.50662 0.25337 0.50666 0.24639 0.50667 0.24640 0.50665 0.24642 0.50667 0.24641 0.50666 0.25331 0.50697 0.24773 0.50685 0.25400 0.50694 0.24778 0.50684 0.25396 0.50692 0.24776 0.50697 0.24771 0.50677 0.25410 0.50695 0.24771 0.50694 0.24775</matrix>
                  </module>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-0.2365 -0.0037 0.0002</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">0.2365</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-71.4691 -89.6986 -89.6998</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.0046 -0.0017 0.0023</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">12.1534 -6.0761 -6.0773 -0.0046 -0.0017 0.0023</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-5.9100 0.4800 -5.9950 -0.6601 -0.0366 0.0015 -0.6514 -0.4229 5.9979 0.0012</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-7121.1164 -610.0320 -609.9992 -0.0801 -0.0216 -18.5349 -0.0030 -2.2433 0.0115 -1408.3314 -1408.3563 -203.3394 0.0821 2.2339 18.5233</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="Si"
                                 id="a1"
                                 x3="-3.801997"
                                 y3="0.000428"
                                 z3="0.003143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a2"
                                 x3="3.806731"
                                 y3="0.002908"
                                 z3="-0.000402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="-4.392279"
                                 y3="-1.768655"
                                 z3="-0.417643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="-4.409861"
                                 y3="0.520526"
                                 z3="1.739092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-4.398973"
                                 y3="1.24176"
                                 z3="-1.322389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="4.412592"
                                 y3="1.739579"
                                 z3="-0.520987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="4.407646"
                                 y3="-0.421678"
                                 z3="1.764356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="4.394755"
                                 y3="-1.321007"
                                 z3="-1.248009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-1.934479"
                                 y3="0.00601"
                                 z3="0.009285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="1.939379"
                                 y3="0.010141"
                                 z3="0.004905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-0.68382"
                                 y3="0.007606"
                                 z3="0.009041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="0.688724"
                                 y3="0.009899"
                                 z3="0.007431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-4.021029"
                                 y3="-2.08144"
                                 z3="-1.409846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-4.026016"
                                 y3="-2.495477"
                                 z3="0.329205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-5.497153"
                                 y3="-1.814813"
                                 z3="-0.431735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-5.515135"
                                 y3="0.527746"
                                 z3="1.775409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-4.043776"
                                 y3="-0.179416"
                                 z3="2.511218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-4.049536"
                                 y3="1.532542"
                                 z3="1.996307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-4.036555"
                                 y3="2.261352"
                                 z3="-1.10058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-4.02837"
                                 y3="0.957465"
                                 z3="-2.323423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-5.503985"
                                 y3="1.267993"
                                 z3="-1.357909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="4.052391"
                                 y3="2.510109"
                                 z3="0.183769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="5.517759"
                                 y3="1.774817"
                                 z3="-0.536487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="4.044619"
                                 y3="1.999588"
                                 z3="-1.529531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="5.512678"
                                 y3="-0.438912"
                                 z3="1.80354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="4.047783"
                                 y3="0.325285"
                                 z3="2.494263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="4.035386"
                                 y3="-1.413229"
                                 z3="2.078055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="5.499475"
                                 y3="-1.35664"
                                 z3="-1.282688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="4.025937"
                                 y3="-2.322239"
                                 z3="-0.962048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="4.024408"
                                 y3="-1.09775"
                                 z3="-2.264442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a9" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a8" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a18" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a5 a21" order="S"/>
                           <bond atomRefs2="a5 a20" order="S"/>
                           <bond atomRefs2="a5 a19" order="S"/>
                           <bond atomRefs2="a6 a23" order="S"/>
                           <bond atomRefs2="a6 a24" order="S"/>
                           <bond atomRefs2="a6 a22" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a26" order="S"/>
                           <bond atomRefs2="a7 a27" order="S"/>
                           <bond atomRefs2="a8 a28" order="S"/>
                           <bond atomRefs2="a8 a29" order="S"/>
                           <bond atomRefs2="a8 a30" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a11 a12" order="S"/>
                        </bondArray>
                        <formula concise="C 10 H 18 Si 2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.27799999999996</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,6,7,8,11,12,9,10,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)/CRV:7.2,8.2,9.2,10.2/rA:30SiSiCCCCCCC2C2C2C2HHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2;s2;s1;s2;s9;s10s11;s3;s3;s3;s4;s4;s4;s5;s5;s5;s6;s6;s6;s7;s7;s7;s8;s8;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="465">0.000000 7.608730 0.000000 1.911843 8.398589 0.000000 1.911418 8.414639 3.145181 0.000000 1.911628 8.403332 3.143439 3.145308 0.000000 8.413016 1.911570 9.478614 9.188564 8.861926 0.000000 8.407039 1.912000 9.165923 8.867740 9.479006 3.145449 0.000000 8.396328 1.911817 8.837526 9.478147 9.159856 3.145801 3.143772 0.000000 1.867537 5.741220 3.061451 3.063409 3.061726 6.600891 6.594372 6.587941 0.000000 5.741385 1.867374 6.590338 6.601571 6.591912 3.063380 3.061777 3.061147 3.873863 0.000000 3.118191 4.490564 4.133985 4.139993 4.134997 5.408704 5.402634 5.397899 1.250660 2.623204 0.000000 4.490733 3.118025 5.400049 5.408785 5.400978 4.139832 4.135629 4.133051 2.623207 1.250658 1.372547 0.000000 2.525606 8.222218 1.104595 4.103319 3.345766 9.301409 9.158217 8.451619 3.274915 6.473229 4.185010 5.344543 0.000000 2.527062 8.228153 1.104627 3.351328 4.102902 9.479906 8.802668 8.647333 3.276326 6.478366 4.187864 5.348759 1.787666 0.000000 2.521462 9.489595 1.105927 3.368754 3.367774 10.528281 10.240541 9.937806 4.025237 7.669623 5.165623 6.464326 1.790736 1.790692 0.000000 2.520681 9.504007 3.368046 1.105894 3.369271 10.261662 9.968105 10.524488 4.026474 7.679347 5.170319 6.471613 4.380189 3.667269 3.218601 0.000000 2.526112 8.244510 3.350427 1.104588 4.103955 9.186237 8.487817 9.308266 3.277680 6.489659 4.193467 5.357363 4.358091 3.182081 3.667124 1.790639 0.000000 2.526135 8.249095 4.103965 1.104613 3.349688 8.831038 8.683128 9.485483 3.279028 6.492341 4.195557 5.359588 4.966242 4.359441 4.381298 1.790640 1.787727 0.000000 2.526856 8.235782 4.102913 3.351652 1.104587 8.485061 9.311876 9.161987 3.276750 6.480882 4.189446 5.350233 4.353817 4.967074 4.381303 3.669182 4.359184 3.181516 0.000000 2.525880 8.227783 3.346066 4.103715 1.104644 8.666620 9.475143 8.791870 3.275846 6.475535 4.186720 5.346189 3.173266 4.354222 3.663513 4.381273 4.966537 4.357893 1.787606 0.000000 2.521100 9.493824 3.367673 3.368565 1.105894 9.962998 10.528246 10.232304 4.025319 7.670927 5.166344 6.465029 3.663408 4.381148 3.218934 3.219592 4.381478 3.665539 1.790623 1.790554 0.000000 8.247578 2.525930 9.485883 8.831035 8.677717 1.104600 3.349603 4.104223 6.491808 3.278209 5.359547 4.194807 9.423483 9.504615 10.501313 9.899527 8.842991 8.359555 8.194051 8.602058 9.759300 0.000000 9.502501 2.520846 10.525169 10.262024 9.962096 1.105838 3.369097 3.369203 7.678698 4.026412 6.471493 5.170141 10.325790 10.491353 11.585539 11.341287 10.224015 9.899842 9.583310 9.746270 11.063926 1.790733 0.000000 8.241063 2.526174 9.306836 9.184211 8.480062 1.104613 4.104145 3.350850 6.487829 3.277869 5.356616 4.193226 9.040121 9.423145 10.334419 10.221440 9.300421 8.841098 8.096783 8.178596 9.578127 1.787760 1.790754 0.000000 9.497243 2.521837 10.237677 9.969024 10.527911 3.370376 1.105860 3.367461 7.673164 4.025568 6.466544 5.167007 10.193886 9.868627 11.318389 11.070134 9.586133 9.765230 10.339883 10.488721 11.587715 3.667809 3.221233 4.383017 0.000000 8.241982 2.526933 9.170519 8.493535 9.314206 3.350380 1.104636 4.103081 6.485716 3.277436 5.354000 4.191310 9.281170 8.822154 10.210156 9.592035 8.107301 8.201951 9.056918 9.425178 10.342350 3.179915 3.667072 4.358236 1.790814 0.000000 8.229719 2.525413 8.796612 8.670438 9.473669 4.103352 1.104607 3.346693 6.475596 3.273710 5.345138 4.184844 8.804418 8.319612 9.865577 9.750458 8.184301 8.605244 9.421385 9.487748 10.487822 4.356741 4.381425 4.966092 1.790821 1.787684 0.000000 9.487485 2.521509 9.938051 10.528525 10.233891 3.368690 3.369082 1.105838 7.667443 4.024955 6.462420 5.164800 9.548900 9.727801 11.039015 11.585529 10.336982 10.501561 10.200926 9.859920 11.312404 4.381357 3.219188 3.666306 3.219813 4.381968 3.666244 0.000000 8.222100 2.525693 8.453945 9.302696 9.154837 4.103949 3.345312 1.104657 6.472309 3.275472 5.343501 4.185182 8.063012 8.156671 9.551332 10.327058 9.042982 9.424673 9.275358 8.802366 10.191461 4.966405 4.380925 4.358964 3.661392 4.353843 3.173108 1.790672 0.000000 8.221956 2.526797 8.642998 9.475441 8.792845 3.352723 4.103066 1.104597 6.472747 3.274859 5.343964 4.185102 8.150278 8.572629 9.722814 10.486444 9.420502 9.500579 8.810066 8.311114 9.859453 4.360179 3.669818 3.183395 4.381493 4.966976 4.353955 1.790722 1.787626 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">1.5095778 0.1770371 0.1770362</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= 164 164 164 164 164 MxSgAt= 30 MxSgA2= 30.</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">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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= 6786 NPrTT= 32182 LenC2= 5714 LenP2D= 17406.</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= 172 RedAO= T EigKep= 5.29D-04 NBF= 172</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 172 1.00D-06 EigRej= -1.00D+00 NBFU= 172</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= 164 164 164 164 164 MxSgAt= 30 MxSgA2= 30.</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">-969.382213178952</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.569100378126</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.186887199174</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.891869990342</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.322769612216</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.893479465144</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.001609474801</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.897594219388</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.004114754244</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899665578680</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.002071359291</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899708783407</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000043204727</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899713778207</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000004994800</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899699914630</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000013863577</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899700067617</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000152987</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899700069720</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002103</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899700098606</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000028887</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899700109102</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000010496</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899700109398</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000296</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899700109497</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000098</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.899700109505</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">-969.899700110</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">9.665328731488e+02</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-3.811148745563e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.111590488846e+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=113383079.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      109426 IEndB=      109426 NGot=   939524096 MDV=   828729790</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   828729790 LenY=   828699765</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=  14878 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">-9.30527861e-02 -1.47474142e-03 8.90085732e-05</array>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="30">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</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="30">14 14 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007812739 -0.000030163 -0.000100186</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004998556 0.000183008 -0.000121366</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002932380 -0.004924415 -0.001493948</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002879380 0.001283353 0.005009108</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002950422 0.003671283 -0.003509224</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004726954 0.002414404 -0.000881187</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004775799 -0.000491752 0.002609162</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004594890 -0.002021531 -0.001767733</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.101711753 -0.000043593 0.000009434</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.093437929 -0.000046379 0.000000659</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.090710319 0.000015917 0.000004403</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.090365073 0.000048837 0.000004262</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001722840 -0.003047442 -0.006122562</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001744195 -0.005911307 0.003618951</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007308678 0.000326655 0.000124714</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007269418 -0.000102638 -0.000337430</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001732639 -0.003798312 0.005787581</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001747877 0.006044682 0.003279100</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001721145 0.006879419 0.000404232</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001731919 -0.000127978 -0.006914625</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007305684 -0.000246199 0.000241102</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001590947 0.006379300 0.003176687</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007192822 -0.000509305 0.000212025</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001570111 0.003010443 -0.006425710</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007201243 0.000076645 -0.000548751</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001572021 0.004068398 0.005796646</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001599193 -0.005939360 0.003982851</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007062522 0.000402331 0.000398918</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001605083 -0.007078996 0.000636626</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001583325 -0.000485304 -0.007073739</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.101711753</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.020189127</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">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">-969.913111752522</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913159276758</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000047524236</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913270440351</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000111163592</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913268340622</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000002099729</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913270703861</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000002363239</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913270737958</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000034097</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913270750635</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000012678</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913270759390</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000008755</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913270759464</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">-969.913270759463</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000002</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">-969.913270759</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">9.656717887478e+02</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-3.791199808943e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.102084718986e+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=113383079.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      109426 IEndB=      109426 NGot=   939524096 MDV=   828729790</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   828729790 LenY=   828699765</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=  14878 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">
                  <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="172">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172</array>
                     <array dataType="xsd:string" dictRef="x:label" size="172">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 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="172">-65.453025 -65.453019 -9.922616 -9.922154 -9.897732 -9.897696 -9.874144 -9.874138 -9.874089 -9.874085 -9.874082 -9.874079 -5.073435 -5.073414 -3.485183 -3.485171 -3.483071 -3.483070 -3.483062 -3.483061 -0.711690 -0.662302 -0.648277 -0.639229 -0.612757 -0.612741 -0.612659 -0.612638 -0.549735 -0.461672 -0.448017 -0.377674 -0.376560 -0.363281 -0.363270 -0.363075 -0.363064 -0.348767 -0.348760 -0.348439 -0.348431 -0.338367 -0.338356 -0.315257 -0.310446 -0.303268 -0.303267 -0.275905 -0.275902 -0.267517 -0.267515 -0.210493 -0.210487 -0.059520 -0.059518 0.054806 0.054812 0.057991 0.061588 0.088160 0.090795 0.090803 0.094826 0.106234 0.113873 0.114900 0.114904 0.146883 0.146934 0.151054 0.152057 0.166207 0.166222 0.175975 0.185230 0.185276 0.188174 0.188832 0.188902 0.188956 0.189041 0.195378 0.195405 0.208090 0.208107 0.217350 0.248435 0.258338 0.258355 0.263192 0.263206 0.271532 0.271568 0.277412 0.287747 0.292698 0.292719 0.302711 0.331285 0.331289 0.348515 0.348539 0.353174 0.353271 0.353777 0.397960 0.398067 0.422792 0.422865 0.471070 0.505925 0.505980 0.515992 0.550123 0.550194 0.571343 0.628491 0.628673 0.700890 0.719787 0.720270 0.724787 0.740573 0.850224 0.853320 0.891350 0.891379 0.893541 0.893610 0.902529 0.955043 1.018756 1.018804 1.018852 1.018875 1.040427 1.079891 1.091149 1.091200 1.096105 1.097365 1.097460 1.100243 1.100372 1.149243 1.149407 1.149459 1.150046 1.150094 1.210364 1.252545 1.354019 5.009905 5.009918 5.010690 5.010707 5.029531 5.067177 5.549258 5.607383 22.367273 22.583332 22.588171 22.596096 22.596113 22.596234 22.596257 22.605441 22.798296 22.903740 142.893523 142.967499</array>
                     <array dataType="xsd:double" dictRef="g:kineticener" size="172">92.155569 92.155593 15.949797 15.952375 15.951271 15.954758 15.956199 15.956202 15.956189 15.956231 15.956190 15.956239 13.057626 13.057724 12.092542 12.092789 12.095773 12.095746 12.095782 12.095752 1.784302 1.616466 1.303806 1.518240 1.319199 1.319179 1.319226 1.319210 1.682768 1.528201 1.534878 1.015499 0.995069 0.924075 0.924099 0.924201 0.924236 0.954844 0.954855 0.957258 0.957270 0.998444 0.998426 1.410475 1.406614 1.071479 1.071468 1.263980 1.264016 1.295199 1.295190 1.221671 1.221706 1.302349 1.302314 1.303775 1.303875 1.116200 1.181104 2.062031 1.094241 1.092011 1.216021 1.181743 1.827952 0.944112 0.945214 0.921194 0.921787 0.745996 0.941887 1.378940 1.379103 0.976995 1.279851 1.278325 1.249729 1.065184 1.067669 0.955324 0.953575 1.180420 1.183810 1.305597 1.305994 1.896047 1.232310 1.445261 1.445516 1.621323 1.621528 1.482614 1.482660 1.987756 1.726098 1.552387 1.552333 1.478558 1.444304 1.444692 1.238617 1.238940 1.118644 1.117421 1.528544 1.118366 1.118155 1.596984 1.595935 2.264056 2.314517 2.314952 2.259449 2.272860 2.272340 2.269953 1.844250 1.843644 2.196986 1.778866 1.781073 3.152554 1.901389 3.060114 3.085621 2.816454 2.816704 2.806621 2.806862 2.634220 3.583338 2.718636 2.718419 2.718264 2.718550 2.989088 3.863623 2.574118 2.574209 2.595015 2.561487 2.561616 2.561976 2.562039 2.869066 2.623988 2.794500 2.609992 2.611333 2.557458 2.760756 3.607988 9.677923 9.677952 9.678352 9.678349 9.684967 9.704910 22.175347 22.221495 57.361807 57.388468 57.398646 57.391905 57.391910 57.391924 57.391928 57.371094 57.437255 57.442300 369.787226 369.868941</array>
                  </module>
                  <scalar dataType="xsd:string" dictRef="g:totalkineticener">9.656717887478D+02</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT1144.600S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2017-07-12T16:33:37.000+02:00</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="30">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="30">Si Si C C C C C C C C C C H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="30">1.266388 1.260669 -1.018397 -1.018428 -1.018469 -1.013784 -1.013879 -1.013857 -0.174377 -0.190576 -0.237098 -0.219177 0.246906 0.246948 0.240024 0.240009 0.246953 0.246929 0.246928 0.246919 0.240026 0.245303 0.239150 0.245283 0.239194 0.245313 0.245313 0.239137 0.245339 0.245313</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="48">-9.89770 -9.87414 -9.87414 -9.87409 -9.87408 -9.87408 -9.87408 -5.07343 -5.07341 -3.48518 -3.48517 -3.48307 -3.48307 -3.48306 -3.48306 -0.71169 -0.66230 -0.64828 -0.63923 -0.61276 -0.61274 -0.61266 -0.61264 -0.54974 -0.46167 -0.44802 -0.37767 -0.37656 -0.36328 -0.36327 -0.36307 -0.36306 -0.34877 -0.34876 -0.34844 -0.34843 -0.33837 -0.33836 -0.31526 -0.31045 -0.30327 -0.30327 -0.27591 -0.27590 -0.26752 -0.26751 -0.21049 -0.21049</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="119">-0.05952 -0.05952 0.05481 0.05481 0.05799 0.06159 0.08816 0.09079 0.09080 0.09483 0.10623 0.11387 0.11490 0.11490 0.14688 0.14693 0.15105 0.15206 0.16621 0.16622 0.17598 0.18523 0.18528 0.18817 0.18883 0.18890 0.18896 0.18904 0.19538 0.19540 0.20809 0.20811 0.21735 0.24843 0.25834 0.25836 0.26319 0.26321 0.27153 0.27157 0.27741 0.28775 0.29270 0.29272 0.30271 0.33128 0.33129 0.34851 0.34854 0.35317 0.35327 0.35378 0.39796 0.39807 0.42279 0.42286 0.47107 0.50592 0.50598 0.51599 0.55012 0.55019 0.57134 0.62849 0.62867 0.70089 0.71979 0.72027 0.72479 0.74057 0.85022 0.85332 0.89135 0.89138 0.89354 0.89361 0.90253 0.95504 1.01876 1.01880 1.01885 1.01887 1.04043 1.07989 1.09115 1.09120 1.09610 1.09736 1.09746 1.10024 1.10037 1.14924 1.14941 1.14946 1.15005 1.15009 1.21036 1.25255 1.35402 5.00991 5.00992 5.01069 5.01071 5.02953 5.06718 5.54926 5.60738 22.36727 22.58333 22.58817 22.59610 22.59611 22.59623 22.59626 22.60544 22.79830 22.90374 142.89352 142.96750</array>
                     <module cmlx:templateRef="l601.orbital.closedshell">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="172">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="cc:occupation"
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                     </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="172">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="x:label"
                               size="172">1   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13  H  1S|2S|14  H  1S|2S|15  H  1S|2S|16  H  1S|2S|17  H  1S|2S|18  H  1S|2S|19  H  1S|2S|20  H  1S|2S|21  H  1S|2S|22  H  1S|2S|23  H  1S|2S|24  H  1S|2S|25  H  1S|2S|26  H  1S|2S|27  H  1S|2S|28  H  1S|2S|29  H  1S|2S|30  H  1S|2S</array>
                        <matrix cols="1"
                                dataType="xsd:double"
                                dictRef="g:totaloccup"
                                rows="172">0.74951 1.22062 0.89553 1.08618 0.80487 0.29853 1.97179 1.97629 1.97630 0.01175 0.00951 0.00951 0.40923 0.45774 0.45786 0.10957 0.14998 0.14988 0.74951 1.22062 0.89553 1.08618 0.80484 0.29875 1.97179 1.97630 1.97629 0.01175 0.00951 0.00952 0.40925 0.45782 0.45770 0.10941 0.15004 0.15014 1.17417 0.81446 0.70520 0.82528 0.90862 0.92719 0.91395 0.23008 0.26937 0.23620 1.17417 0.81446 0.70519 0.82541 0.90876 0.91446 0.92678 0.23022 0.23723 0.26806 1.17417 0.81446 0.70520 0.82536 0.90868 0.92017 0.92102 0.23014 0.25150 0.25401 1.17417 0.81446 0.70519 0.82538 0.90878 0.92674 0.91445 0.23021 0.26811 0.23717 1.17417 0.81446 0.70519 0.82526 0.90870 0.91394 0.92708 0.23025 0.23614 0.26923 1.17417 0.81446 0.70520 0.82531 0.90866 0.92096 0.92018 0.23008 0.25393 0.25163 1.17467 0.81362 0.74847 0.63394 0.98577 0.75467 0.75473 -0.12393 0.21498 0.21481 1.17467 0.81362 0.74847 0.63397 0.98580 0.75476 0.75470 -0.12396 0.21484 0.21498 1.17446 0.81375 0.75470 0.37509 0.96109 0.80980 0.80972 0.16083 0.19314 0.19331 1.17446 0.81375 0.75470 0.37505 0.96109 0.80972 0.80978 0.16080 0.19326 0.19313 0.50270 0.25213 0.50268 0.25212 0.50272 0.26228 0.50272 0.26223 0.50268 0.25206 0.50268 0.25212 0.50269 0.25207 0.50268 0.25215 0.50273 0.26224 0.50269 0.25213 0.50274 0.26219 0.50268 0.25212 0.50274 0.26223 0.50268 0.25215 0.50270 0.25217 0.50275 0.26219 0.50267 0.25218 0.50269 0.25211</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="30">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="30">Si Si C C C C C C C C C C H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="30">1.255340 1.255046 -1.004518 -1.004764 -1.004719 -1.004659 -1.004425 -1.004583 -0.171739 -0.171841 -0.245886 -0.245748 0.245169 0.245196 0.234998 0.235043 0.245255 0.245201 0.245242 0.245174 0.235032 0.245183 0.235063 0.245207 0.235032 0.245168 0.245128 0.235054 0.245149 0.245204</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">-9.95592794e-04 -4.52078838e-03 -4.80412276e-03</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">-0.0025 -0.0115 -0.0122</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">0.0170</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-69.4919 -89.8545 -89.8541</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.0012 -0.0138 -0.0003</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">13.5749 -6.7877 -6.7873 -0.0012 -0.0138 -0.0003</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-0.5452 0.0482 -5.2485 -0.2299 -0.1743 -0.2209 -0.2181 -0.5459 4.6788 0.0253</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-7161.4114 -637.1792 -637.1333 -1.0310 0.8147 -20.9119 -0.0708 -0.7340 0.0473 -1421.1827 -1421.4066 -212.4002 0.1326 2.1181 19.6769</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">-969.9132708</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">6.11E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">5.119E-5</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">10.0926302,-5.0464751,-5.0461551,-0.0009213,-0.0102717,-0.0002528</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C10H18Si2)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-0.0009956 -0.0045208 -0.0048041</array>
                  <array dataType="xsd:double" dictRef="cc:forceConstants" size="1">@</array>
               </module>
            </module>
            <molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Si"
                        id="a1"
                        x3="-3.80199744"
                        y3="0.00042769"
                        z3="0.00314273">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">0.000039155 -0.000010426 -0.000008409</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">0.000095410 -0.000007998 0.000007254</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">0.000006435 -0.000143636 -0.000039970</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">0.000013152 0.000043317 0.000145498</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">0.000015156 0.000107585 -0.000104962</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">-0.000090065 0.000087777 -0.000017759</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">-0.000114240 -0.000030911 0.000085227</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">-0.000098219 -0.000063083 -0.000066342</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">-0.000089130 -0.000022833 0.000003758</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">0.000043161 0.000007103 0.000002321</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">0.000155826 0.000099071 -0.000002346</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">-0.000159918 -0.000062384 0.000001872</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">-0.000010739 0.000040709 0.000004892</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">-0.000009264 0.000041810 -0.000000229</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">-0.000002568 0.000026284 -0.000001174</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">-0.000001870 -0.000012643 -0.000028586</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">-0.000011728 -0.000018792 -0.000041005</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">-0.000009733 -0.000021040 -0.000030139</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">-0.000006150 -0.000024701 0.000028196</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.19" size="3">-0.000012535 -0.000022133 0.000032707</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.20" size="3">-0.000000248 -0.000011578 0.000026256</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.21" size="3">0.000028048 -0.000027801 0.000005194</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">0.000023859 -0.000021120 0.000013938</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.23" size="3">0.000027377 -0.000025256 0.000020811</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.24" size="3">0.000027558 0.000003529 -0.000026181</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.25" size="3">0.000027849 -0.000010043 -0.000028373</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.26" size="3">0.000033124 0.000006823 -0.000025679</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.27" size="3">0.000022787 0.000024475 0.000014324</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.28" size="3">0.000031613 0.000027214 0.000005661</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.29" size="3">0.000025896 0.000020679 0.000023244</array>
                     </property>
                  </atom>
                  <atom elementType="Si"
                        id="a2"
                        x3="3.80673142"
                        y3="0.00290809"
                        z3="-0.00040213"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-4.39227922"
                        y3="-1.7686546"
                        z3="-0.41764253"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-4.40986066"
                        y3="0.52052644"
                        z3="1.73909186"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-4.39897268"
                        y3="1.24176028"
                        z3="-1.32238926"/>
                  <atom elementType="C"
                        id="a6"
                        x3="4.41259167"
                        y3="1.73957878"
                        z3="-0.52098658"/>
                  <atom elementType="C"
                        id="a7"
                        x3="4.40764639"
                        y3="-0.42167818"
                        z3="1.76435592"/>
                  <atom elementType="C"
                        id="a8"
                        x3="4.39475497"
                        y3="-1.32100674"
                        z3="-1.24800934"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-1.93447922"
                        y3="0.0060096"
                        z3="0.00928486"/>
                  <atom elementType="C"
                        id="a10"
                        x3="1.93937904"
                        y3="0.01014106"
                        z3="0.00490534"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-0.68382044"
                        y3="0.0076063"
                        z3="0.00904075"/>
                  <atom elementType="C"
                        id="a12"
                        x3="0.68872399"
                        y3="0.00989894"
                        z3="0.00743125"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-4.02102864"
                        y3="-2.08143986"
                        z3="-1.40984609"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-4.02601597"
                        y3="-2.4954774"
                        z3="0.32920461"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-5.49715291"
                        y3="-1.81481293"
                        z3="-0.43173493"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-5.51513454"
                        y3="0.52774628"
                        z3="1.77540869"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-4.04377597"
                        y3="-0.17941561"
                        z3="2.51121785"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-4.04953601"
                        y3="1.53254239"
                        z3="1.99630741"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-4.03655484"
                        y3="2.26135187"
                        z3="-1.10058025"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-4.02836963"
                        y3="0.95746458"
                        z3="-2.32342301"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-5.50398484"
                        y3="1.26799315"
                        z3="-1.35790921"/>
                  <atom elementType="H"
                        id="a22"
                        x3="4.05239105"
                        y3="2.51010908"
                        z3="0.18376857"/>
                  <atom elementType="H"
                        id="a23"
                        x3="5.51775926"
                        y3="1.77481669"
                        z3="-0.53648656"/>
                  <atom elementType="H"
                        id="a24"
                        x3="4.04461892"
                        y3="1.9995877"
                        z3="-1.52953065"/>
                  <atom elementType="H"
                        id="a25"
                        x3="5.51267769"
                        y3="-0.43891204"
                        z3="1.80353972"/>
                  <atom elementType="H"
                        id="a26"
                        x3="4.04778264"
                        y3="0.32528542"
                        z3="2.49426344"/>
                  <atom elementType="H"
                        id="a27"
                        x3="4.03538634"
                        y3="-1.41322861"
                        z3="2.07805472"/>
                  <atom elementType="H"
                        id="a28"
                        x3="5.49947459"
                        y3="-1.35663963"
                        z3="-1.28268764"/>
                  <atom elementType="H"
                        id="a29"
                        x3="4.02593677"
                        y3="-2.32223899"
                        z3="-0.96204801"/>
                  <atom elementType="H"
                        id="a30"
                        x3="4.02440827"
                        y3="-1.09774975"
                        z3="-2.26444154"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a13" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a5 a20" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a6 a23" order="S"/>
                  <bond atomRefs2="a6 a24" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a27" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">176.27799999999996</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,6,7,8,11,12,9,10,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)/CRV:7.2,8.2,9.2,10.2/rA:30SiSiCCCCCCC2C2C2C2HHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2;s2;s1;s2;s9;s10s11;s3;s3;s3;s4;s4;s4;s5;s5;s5;s6;s6;s6;s7;s7;s7;s8;s8;s8;/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-KIMIK2066</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000138279</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">12-Jul-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">84</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C10H18Si2)]</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="Si"
                        id="a1"
                        x3="-3.8020"
                        y3="0.00043"
                        z3="0.00314"/>
                  <atom elementType="Si"
                        id="a2"
                        x3="3.80673"
                        y3="0.00291"
                        z3="-0.0004"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-4.39228"
                        y3="-1.76866"
                        z3="-0.41764"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-4.40986"
                        y3="0.52053"
                        z3="1.73909"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-4.39897"
                        y3="1.24176"
                        z3="-1.32239"/>
                  <atom elementType="C"
                        id="a6"
                        x3="4.41259"
                        y3="1.73958"
                        z3="-0.52099"/>
                  <atom elementType="C"
                        id="a7"
                        x3="4.40765"
                        y3="-0.42168"
                        z3="1.76436"/>
                  <atom elementType="C"
                        id="a8"
                        x3="4.39475"
                        y3="-1.32101"
                        z3="-1.24801"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-1.93448"
                        y3="0.00601"
                        z3="0.00929"/>
                  <atom elementType="C"
                        id="a10"
                        x3="1.93938"
                        y3="0.01014"
                        z3="0.00491"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-0.68382"
                        y3="0.00761"
                        z3="0.00904"/>
                  <atom elementType="C"
                        id="a12"
                        x3="0.68872"
                        y3="0.0099"
                        z3="0.00743"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-4.02103"
                        y3="-2.08144"
                        z3="-1.40985"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-4.02602"
                        y3="-2.49548"
                        z3="0.32921"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-5.49715"
                        y3="-1.81481"
                        z3="-0.43174"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-5.51513"
                        y3="0.52775"
                        z3="1.77541"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-4.04378"
                        y3="-0.17942"
                        z3="2.51122"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-4.04954"
                        y3="1.53254"
                        z3="1.99631"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-4.03655"
                        y3="2.26135"
                        z3="-1.10058"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-4.02837"
                        y3="0.95747"
                        z3="-2.32342"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-5.50399"
                        y3="1.26799"
                        z3="-1.35791"/>
                  <atom elementType="H"
                        id="a22"
                        x3="4.05239"
                        y3="2.51011"
                        z3="0.18377"/>
                  <atom elementType="H"
                        id="a23"
                        x3="5.51776"
                        y3="1.77482"
                        z3="-0.53649"/>
                  <atom elementType="H"
                        id="a24"
                        x3="4.04462"
                        y3="1.99959"
                        z3="-1.52953"/>
                  <atom elementType="H"
                        id="a25"
                        x3="5.51268"
                        y3="-0.43891"
                        z3="1.80354"/>
                  <atom elementType="H"
                        id="a26"
                        x3="4.04778"
                        y3="0.32529"
                        z3="2.49426"/>
                  <atom elementType="H"
                        id="a27"
                        x3="4.03539"
                        y3="-1.41323"
                        z3="2.07805"/>
                  <atom elementType="H"
                        id="a28"
                        x3="5.49948"
                        y3="-1.35664"
                        z3="-1.28269"/>
                  <atom elementType="H"
                        id="a29"
                        x3="4.02594"
                        y3="-2.32224"
                        z3="-0.96205"/>
                  <atom elementType="H"
                        id="a30"
                        x3="4.02441"
                        y3="-1.09775"
                        z3="-2.26444"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a13" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a5 a20" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a6 a23" order="S"/>
                  <bond atomRefs2="a6 a24" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a27" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
               </bondArray>
               <formula concise="C 10 H 18 Si 2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">176.27799999999996</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/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,6,7,8,11,12,9,10,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)/CRV:7.2,8.2,9.2,10.2/rA:30SiSiCCCCCCC2C2C2C2HHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2;s2;s1;s2;s9;s10s11;s3;s3;s3;s4;s4;s4;s5;s5;s5;s6;s6;s6;s7;s7;s7;s8;s8;s8;/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-17531.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=000138279-Freq.chk</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=4</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=3GB</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">000138279</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="30">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="30">28 28 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="30">27.9769284 27.9769284 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250 1.0078250 1.0078250 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="30">0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="30">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 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">0.000162 0.000052 0.059655 0.022436</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">YES YES NO NO</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-4.740426e-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">753.5300177642</scalar>
                     <module cmlx:templateRef="symaddnuc">
                        <scalar dataType="xsd:integer" dictRef="cc:basiscount">172</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:primbasis">384</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">172</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:alphae">53</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:betae">53</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">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">30</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">30</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="Si"
                                 id="a1"
                                 x3="-3.801997"
                                 y3="0.000428"
                                 z3="0.003143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a2"
                                 x3="3.806731"
                                 y3="0.002908"
                                 z3="-0.000402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="-4.392279"
                                 y3="-1.768655"
                                 z3="-0.417643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="-4.409861"
                                 y3="0.520526"
                                 z3="1.739092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-4.398973"
                                 y3="1.24176"
                                 z3="-1.322389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="4.412592"
                                 y3="1.739579"
                                 z3="-0.520987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="4.407646"
                                 y3="-0.421678"
                                 z3="1.764356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="4.394755"
                                 y3="-1.321007"
                                 z3="-1.248009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-1.934479"
                                 y3="0.00601"
                                 z3="0.009285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="1.939379"
                                 y3="0.010141"
                                 z3="0.004905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-0.68382"
                                 y3="0.007606"
                                 z3="0.009041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="0.688724"
                                 y3="0.009899"
                                 z3="0.007431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-4.021029"
                                 y3="-2.08144"
                                 z3="-1.409846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-4.026016"
                                 y3="-2.495477"
                                 z3="0.329205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-5.497153"
                                 y3="-1.814813"
                                 z3="-0.431735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-5.515135"
                                 y3="0.527746"
                                 z3="1.775409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-4.043776"
                                 y3="-0.179416"
                                 z3="2.511218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-4.049536"
                                 y3="1.532542"
                                 z3="1.996307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-4.036555"
                                 y3="2.261352"
                                 z3="-1.10058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-4.02837"
                                 y3="0.957465"
                                 z3="-2.323423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-5.503985"
                                 y3="1.267993"
                                 z3="-1.357909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="4.052391"
                                 y3="2.510109"
                                 z3="0.183769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="5.517759"
                                 y3="1.774817"
                                 z3="-0.536487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="4.044619"
                                 y3="1.999588"
                                 z3="-1.529531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="5.512678"
                                 y3="-0.438912"
                                 z3="1.80354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="4.047783"
                                 y3="0.325285"
                                 z3="2.494263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="4.035386"
                                 y3="-1.413229"
                                 z3="2.078055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="5.499475"
                                 y3="-1.35664"
                                 z3="-1.282688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="4.025937"
                                 y3="-2.322239"
                                 z3="-0.962048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="4.024408"
                                 y3="-1.09775"
                                 z3="-2.264442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a9" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a8" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a18" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a5 a21" order="S"/>
                           <bond atomRefs2="a5 a20" order="S"/>
                           <bond atomRefs2="a5 a19" order="S"/>
                           <bond atomRefs2="a6 a23" order="S"/>
                           <bond atomRefs2="a6 a24" order="S"/>
                           <bond atomRefs2="a6 a22" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a26" order="S"/>
                           <bond atomRefs2="a7 a27" order="S"/>
                           <bond atomRefs2="a8 a28" order="S"/>
                           <bond atomRefs2="a8 a29" order="S"/>
                           <bond atomRefs2="a8 a30" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a11 a12" order="S"/>
                        </bondArray>
                        <formula concise="C 10 H 18 Si 2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.27799999999996</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,6,7,8,11,12,9,10,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)/CRV:7.2,8.2,9.2,10.2/rA:30SiSiCCCCCCC2C2C2C2HHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2;s2;s1;s2;s9;s10s11;s3;s3;s3;s4;s4;s4;s5;s5;s5;s6;s6;s6;s7;s7;s7;s8;s8;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="465">0.000000 7.608729 0.000000 1.911844 8.398589 0.000000 1.911418 8.414639 3.145181 0.000000 1.911628 8.403332 3.143439 3.145308 0.000000 8.413016 1.911571 9.478615 9.188565 8.861927 0.000000 8.407038 1.912000 9.165923 8.867740 9.479006 3.145449 0.000000 8.396327 1.911818 8.837526 9.478147 9.159856 3.145801 3.143772 0.000000 1.867536 5.741219 3.061451 3.063409 3.061726 6.600891 6.594372 6.587941 0.000000 5.741384 1.867374 6.590338 6.601571 6.591912 3.063381 3.061777 3.061147 3.873863 0.000000 3.118191 4.490563 4.133985 4.139993 4.134997 5.408704 5.402633 5.397899 1.250660 2.623203 0.000000 4.490733 3.118025 5.400049 5.408785 5.400978 4.139832 4.135629 4.133050 2.623207 1.250658 1.372547 0.000000 2.525606 8.222218 1.104594 4.103319 3.345766 9.301410 9.158217 8.451619 3.274915 6.473229 4.185011 5.344544 0.000000 2.527062 8.228153 1.104627 3.351327 4.102901 9.479907 8.802668 8.647333 3.276326 6.478366 4.187864 5.348759 1.787666 0.000000 2.521462 9.489595 1.105928 3.368754 3.367774 10.528282 10.240541 9.937806 4.025238 7.669623 5.165624 6.464326 1.790735 1.790692 0.000000 2.520681 9.504007 3.368047 1.105894 3.369271 10.261663 9.968105 10.524489 4.026475 7.679348 5.170320 6.471613 4.380189 3.667269 3.218601 0.000000 2.526112 8.244510 3.350427 1.104588 4.103955 9.186238 8.487816 9.308266 3.277680 6.489660 4.193468 5.357364 4.358091 3.182080 3.667124 1.790640 0.000000 2.526134 8.249094 4.103965 1.104613 3.349687 8.831039 8.683128 9.485483 3.279028 6.492341 4.195557 5.359587 4.966242 4.359440 4.381298 1.790640 1.787727 0.000000 2.526856 8.235781 4.102913 3.351652 1.104588 8.485061 9.311876 9.161988 3.276750 6.480882 4.189446 5.350233 4.353818 4.967073 4.381304 3.669183 4.359184 3.181516 0.000000 2.525881 8.227783 3.346066 4.103715 1.104644 8.666621 9.475143 8.791870 3.275847 6.475536 4.186721 5.346189 3.173267 4.354222 3.663514 4.381273 4.966537 4.357893 1.787605 0.000000 2.521100 9.493824 3.367673 3.368565 1.105894 9.962998 10.528246 10.232304 4.025319 7.670927 5.166345 6.465029 3.663408 4.381147 3.218934 3.219592 4.381478 3.665539 1.790623 1.790554 0.000000 8.247578 2.525930 9.485883 8.831035 8.677717 1.104600 3.349602 4.104224 6.491808 3.278209 5.359547 4.194806 9.423484 9.504615 10.501314 9.899527 8.842991 8.359555 8.194051 8.602059 9.759300 0.000000 9.502500 2.520846 10.525168 10.262024 9.962096 1.105837 3.369098 3.369203 7.678698 4.026412 6.471493 5.170141 10.325791 10.491352 11.585539 11.341287 10.224015 9.899842 9.583310 9.746270 11.063925 1.790733 0.000000 8.241063 2.526174 9.306836 9.184212 8.480062 1.104613 4.104145 3.350851 6.487829 3.277870 5.356616 4.193226 9.040121 9.423145 10.334419 10.221440 9.300422 8.841098 8.096783 8.178596 9.578127 1.787761 1.790754 0.000000 9.497243 2.521838 10.237678 9.969025 10.527911 3.370377 1.105861 3.367461 7.673165 4.025569 6.466544 5.167008 10.193886 9.868627 11.318389 11.070135 9.586134 9.765230 10.339883 10.488722 11.587715 3.667809 3.221234 4.383017 0.000000 8.241981 2.526932 9.170519 8.493535 9.314207 3.350380 1.104635 4.103080 6.485716 3.277436 5.354000 4.191310 9.281170 8.822154 10.210156 9.592035 8.107302 8.201951 9.056918 9.425179 10.342350 3.179915 3.667072 4.358236 1.790813 0.000000 8.229718 2.525413 8.796611 8.670438 9.473669 4.103353 1.104608 3.346693 6.475595 3.273710 5.345138 4.184845 8.804418 8.319612 9.865577 9.750458 8.184301 8.605243 9.421385 9.487748 10.487821 4.356741 4.381426 4.966093 1.790822 1.787684 0.000000 9.487485 2.521510 9.938051 10.528525 10.233891 3.368690 3.369083 1.105838 7.667443 4.024956 6.462420 5.164800 9.548900 9.727802 11.039016 11.585530 10.336983 10.501561 10.200926 9.859921 11.312404 4.381358 3.219188 3.666307 3.219814 4.381968 3.666245 0.000000 8.222100 2.525693 8.453945 9.302696 9.154837 4.103950 3.345312 1.104656 6.472309 3.275472 5.343501 4.185182 8.063012 8.156672 9.551333 10.327059 9.042983 9.424673 9.275358 8.802367 10.191461 4.966406 4.380925 4.358965 3.661393 4.353843 3.173108 1.790672 0.000000 8.221955 2.526798 8.642997 9.475442 8.792845 3.352724 4.103067 1.104598 6.472747 3.274859 5.343964 4.185102 8.150278 8.572629 9.722814 10.486444 9.420502 9.500578 8.810066 8.311114 9.859453 4.360180 3.669818 3.183395 4.381494 4.966976 4.353955 1.790723 1.787626 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C10H18Si2</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="Si"
                                 id="a1"
                                 x3="3.80433"
                                 y3="-0.000199"
                                 z3="0.000368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a2"
                                 x3="-3.804399"
                                 y3="-0.000169"
                                 z3="-0.000861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="4.394953"
                                 y3="1.794752"
                                 z3="0.290996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="4.412602"
                                 y3="-1.147149"
                                 z3="1.403233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="4.400556"
                                 y3="-0.637377"
                                 z3="-1.700467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-4.410889"
                                 y3="-1.403676"
                                 z3="-1.148223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-4.404644"
                                 y3="-0.285784"
                                 z3="1.791866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-4.392462"
                                 y3="1.701422"
                                 z3="-0.644148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="1.936813"
                                 y3="-0.007476"
                                 z3="0.004631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-1.937047"
                                 y3="-0.009121"
                                 z3="0.000526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="0.686153"
                                 y3="-0.008699"
                                 z3="0.004285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-0.686392"
                                 y3="-0.010025"
                                 z3="0.002458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="4.023474"
                                 y3="2.464636"
                                 z3="-0.50486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="4.02912"
                                 y3="2.179076"
                                 z3="1.259842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="5.499834"
                                 y3="1.842643"
                                 z3="0.295276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="5.517886"
                                 y3="-1.167902"
                                 z3="1.433557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="4.046948"
                                 y3="-0.797352"
                                 z3="2.385095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="4.052088"
                                 y3="-2.180297"
                                 z3="1.252222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="4.037935"
                                 y3="-1.663923"
                                 z3="-1.887077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="4.029714"
                                 y3="0.009592"
                                 z3="-2.515418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="5.50555"
                                 y3="-0.648097"
                                 z3="-1.743773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-4.050672"
                                 y3="-2.385815"
                                 z3="-0.793556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-5.51607"
                                 y3="-1.430121"
                                 z3="-1.175632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-4.043303"
                                 y3="-1.256483"
                                 z3="-2.179429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-5.509659"
                                 y3="-0.284781"
                                 z3="1.835099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="-4.044751"
                                 y3="-1.255822"
                                 z3="2.178806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="-4.03202"
                                 y3="0.509218"
                                 z3="2.46215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="-5.497183"
                                 y3="1.747779"
                                 z3="-0.662049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-4.023286"
                                 y3="2.516016"
                                 z3="0.004244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-4.022495"
                                 y3="1.885578"
                                 z3="-1.668525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a9" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a8" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a4 a18" order="S"/>
                           <bond atomRefs2="a4 a17" order="S"/>
                           <bond atomRefs2="a5 a21" order="S"/>
                           <bond atomRefs2="a5 a20" order="S"/>
                           <bond atomRefs2="a5 a19" order="S"/>
                           <bond atomRefs2="a6 a23" order="S"/>
                           <bond atomRefs2="a6 a24" order="S"/>
                           <bond atomRefs2="a6 a22" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a26" order="S"/>
                           <bond atomRefs2="a7 a27" order="S"/>
                           <bond atomRefs2="a8 a28" order="S"/>
                           <bond atomRefs2="a8 a29" order="S"/>
                           <bond atomRefs2="a8 a30" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a11 a12" order="S"/>
                        </bondArray>
                        <formula concise="C 10 H 18 Si 2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">176.27799999999996</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:3,4,5,6,7,8,11,12,9,10,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)/CRV:7.2,8.2,9.2,10.2/rA:30SiSiCCCCCCC2C2C2C2HHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2;s2;s1;s2;s9;s10s11;s3;s3;s3;s4;s4;s4;s5;s5;s5;s6;s6;s6;s7;s7;s7;s8;s8;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">1.5095777 0.1770371 0.1770362</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= 6786 NPrTT= 32182 LenC2= 5714 LenP2D= 17406.</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= 172 RedAO= T EigKep= 5.29D-04 NBF= 172</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 172 1.00D-06 EigRej= -1.00D+00 NBFU= 172</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= 164 164 164 164 164 MxSgAt= 30 MxSgA2= 30.</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">-969.431150017192</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.599709480168</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.168559462976</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.905291678290</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.305582198122</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.904288263974</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.001003414315</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.908532734460</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.004244470485</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.912994379597</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.004461645137</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913005198943</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000010819347</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913212922402</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000207723458</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913208375900</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000004546502</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913213150862</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000004774962</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913213310121</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000159259</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913213318380</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000008258</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913213321473</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000003093</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913213321510</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000037</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-969.913213321531</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000022</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">-969.913213322</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">15</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">9.656720096013e+02</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-3.791200062016e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.102084821329e+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=113383367.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      109714 IEndB=      109714 NGot=   402653184 MDV=   291858590</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   291858590 LenY=   291828565</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=  14878 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=    30.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1101">Will process     31 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=111111111111111111111111111111</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= 402652708 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=113282491.</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= 14878 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 93 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">90 vectors produced by pass 0 Test12= 6.78D-15 1.08D-09 XBig12= 7.10D+02 1.70D+01.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">AX will form 90 AO Fock derivatives at one time.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">90 vectors produced by pass 1 Test12= 6.78D-15 1.08D-09 XBig12= 3.65D+02 4.87D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">90 vectors produced by pass 2 Test12= 6.78D-15 1.08D-09 XBig12= 1.72D+00 2.04D-01.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">89 vectors produced by pass 3 Test12= 6.78D-15 1.08D-09 XBig12= 4.54D-04 3.88D-03.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">49 vectors produced by pass 4 Test12= 6.78D-15 1.08D-09 XBig12= 1.64D-07 7.86D-05.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">8 vectors produced by pass 5 Test12= 6.78D-15 1.08D-09 XBig12= 1.15D-11 5.59D-07.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">1 vectors produced by pass 6 Test12= 6.78D-15 1.08D-09 XBig12= 1.05D-15 5.33D-09.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">InvSVY: IOpt=1 It= 1 EMax= 1.78D-14</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">Solved reduced A of dimension 417 with 93 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 182.41 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">289.830 0.022 128.702 0.058 0.000 128.696</array>
                  <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">536.091 0.074 193.616 0.260 -0.001 193.604</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">PT912.600S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2017-07-12T16:37:30.000+02:00</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="53">-65.45303 -65.45302 -9.92262 -9.92215 -9.89773 -9.89770 -9.87414 -9.87414 -9.87408 -9.87408 -9.87407 -9.87407 -5.07344 -5.07341 -3.48518 -3.48517 -3.48307 -3.48307 -3.48306 -3.48306 -0.71169 -0.66230 -0.64827 -0.63923 -0.61276 -0.61274 -0.61266 -0.61264 -0.54974 -0.46167 -0.44802 -0.37767 -0.37656 -0.36328 -0.36327 -0.36307 -0.36306 -0.34877 -0.34876 -0.34844 -0.34843 -0.33837 -0.33836 -0.31526 -0.31044 -0.30327 -0.30327 -0.27590 -0.27590 -0.26752 -0.26751 -0.21049 -0.21049</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="119">-0.05952 -0.05952 0.05481 0.05481 0.05801 0.06161 0.08816 0.09082 0.09082 0.09483 0.10623 0.11387 0.11493 0.11493 0.14689 0.14694 0.15106 0.15206 0.16621 0.16622 0.17598 0.18523 0.18528 0.18817 0.18883 0.18890 0.18896 0.18904 0.19538 0.19541 0.20809 0.20811 0.21736 0.24844 0.25835 0.25836 0.26320 0.26322 0.27154 0.27157 0.27741 0.28775 0.29270 0.29272 0.30272 0.33129 0.33129 0.34852 0.34854 0.35317 0.35327 0.35377 0.39795 0.39806 0.42279 0.42286 0.47108 0.50591 0.50597 0.51603 0.55012 0.55019 0.57135 0.62850 0.62869 0.70089 0.71979 0.72028 0.72478 0.74061 0.85023 0.85333 0.89135 0.89138 0.89354 0.89361 0.90254 0.95505 1.01875 1.01881 1.01885 1.01888 1.04043 1.07989 1.09115 1.09120 1.09611 1.09737 1.09746 1.10024 1.10037 1.14924 1.14941 1.14946 1.15004 1.15009 1.21037 1.25255 1.35401 5.00990 5.00991 5.01069 5.01070 5.02953 5.06717 5.54926 5.60738 22.36727 22.58334 22.58818 22.59610 22.59612 22.59624 22.59626 22.60544 22.79829 22.90374 142.89352 142.96750</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="30">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</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="30">Si Si C C C C C C C C C C H H H H H H H H H H H H H H H H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="30">1.255651 1.255386 -1.004583 -1.004820 -1.004710 -1.004717 -1.004495 -1.004591 -0.171804 -0.171909 -0.245902 -0.245762 0.245155 0.245178 0.234981 0.235035 0.245249 0.245198 0.245228 0.245155 0.235011 0.245176 0.235054 0.245204 0.235012 0.245150 0.245111 0.235034 0.245133 0.245191</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="12">1 2 3 4 5 6 7 8 9 10 11 12</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="12">Si Si C C C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="12">1.255651 1.255386 -0.279269 -0.279338 -0.279316 -0.279282 -0.279222 -0.279233 -0.171804 -0.171909 -0.245902 -0.245762</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">9.89675966e-04 6.00851008e-03 -2.58625131e-03</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.polarizability">
                     <array cmlx:templateRef="polariz"
                            dataType="xsd:double"
                            dictRef="cc:polarizability"
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                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="30">27.97693 27.97693 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783</array>
                     </list>
                     <scalar cmlx:templateRef="molmass"
                             dataType="xsd:double"
                             dictRef="cc:molmass">194.09471</scalar>
                     <matrix cols="3"
                             dataType="xsd:double"
                             dictRef="cc:moi.eigenvectors"
                             rows="3">1.0 0.0 -2.0E-5 0.0 0.99991 0.01321 2.0E-5 -0.01321 0.99991</matrix>
                     <scalar dataType="xsd:string" dictRef="g:top">asymmetric</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
                     <array cmlx:templateRef="rottemp"
                            dataType="xsd:double"
                            dictRef="cc:rottemp"
                            size="3">0.07245 0.00850 0.00850</array>
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">1.50958 0.17704 0.17704</array>
                     <scalar dataType="xsd:double" dictRef="cc:zpe" units="u:jmol-1">632378.0</scalar>
                     <array dataType="xsd:double" dictRef="cc:vibtemp" size="83">45.07 45.81 108.08 108.43 180.56 180.65 201.46 202.03 215.67 217.15 220.70 234.71 234.80 277.11 277.34 303.14 303.28 307.66 436.35 436.44 487.26 555.92 555.99 757.46 757.48 770.02 871.95 914.81 1000.45 1001.22 1003.34 1003.58 1073.46 1073.55 1177.78 1179.21 1179.82 1181.22 1304.82 1304.95 1306.17 1306.23 1317.59 1330.23 1584.87 1861.53 1861.94 1863.44 1863.81 1880.52 1880.88 2068.15 2068.28 2079.64 2079.75 2080.68 2080.81 2086.68 2086.86 2088.12 2088.28 2103.97 2104.38 2974.80 3204.52 4294.70 4294.90 4295.01 4295.20 4296.08 4296.42 4442.81 4443.11 4443.38 4443.64 4446.40 4446.98 4454.27 4454.42 4455.86 4456.01 4456.43 4456.52</array>
                  </list>
               </property>
               <property dictRef="cc:zeropoint">
                  <list id="l716.zeropoint">
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.correction"
                             units="nonsi:hartree">0.240860</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.thermalcorrener"
                             units="nonsi:hartree">0.259812</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.thermalcorrenthalpy"
                             units="nonsi:hartree">0.260757</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.thermalcorrgfe"
                             units="nonsi:hartree">0.193369</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.sumelectzpe"
                             units="nonsi:hartree">-969.672353</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.sumelectthermal"
                             units="nonsi:hartree">-969.653401</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.sumelectthermalent"
                             units="nonsi:hartree">-969.652457</scalar>
                     <scalar dataType="xsd:string"
                             dictRef="cc:zpe.sumelectthermalfe"
                             units="nonsi:hartree">-969.719844</scalar>
                  </list>
               </property>
               <property>
                  <module cmlx:templateRef="l716.thermoprops">
                     <list cmlx:templateRef="total">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.total">163.035</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.total">66.124</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.total">141.829</scalar>
                     </list>
                     <list cmlx:templateRef="elect">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.elect">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.elect">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.elect">0.000</scalar>
                     </list>
                     <list cmlx:templateRef="trans">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.trans">0.889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.trans">2.981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.trans">41.695</scalar>
                     </list>
                     <list cmlx:templateRef="rot">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.rot">0.889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.rot">2.981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.rot">33.185</scalar>
                     </list>
                     <list cmlx:templateRef="vib">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">161.257</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.vib">60.162</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.vob">66.949</scalar>
                     </list>
                     <list cmlx:templateRef="vibn">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">1</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.983</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.743</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">2</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.983</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.711</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">3</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.599</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.966</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.015</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">4</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.599</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.965</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.008</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">5</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.610</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.928</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.014</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">6</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.611</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.928</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.013</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">7</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.615</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.913</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.804</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">8</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.615</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.913</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.798</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">9</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.618</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.903</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.674</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">10</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.618</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.902</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.661</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">11</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.619</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.899</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.630</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">12</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.623</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.888</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.513</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">13</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.623</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.888</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.512</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">14</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.635</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.850</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.203</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">15</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.635</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.850</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.201</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">16</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.643</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.825</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.038</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">17</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.643</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.824</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.037</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">18</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.644</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.820</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.011</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">19</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.695</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.667</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.399</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">20</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.695</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.667</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.398</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">21</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.719</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.598</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.218</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">22</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.755</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.499</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.014</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">23</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.755</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.499</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.014</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">24</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.881</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.191</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.595</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">25</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.881</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.191</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.595</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">26</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.890</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.172</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.576</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">27</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.965</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.019</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.439</scalar>
                        </list>
                     </list>
                     <list cmlx:templateRef="totalbot">
                        <scalar dataType="xsd:double" dictRef="cc:q.total">0.113943e-88</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.total">-88.943313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.total">-204.799546</scalar>
                     </list>
                     <list cmlx:templateRef="totalv0">
                        <scalar dataType="xsd:double" dictRef="cc:q.v0">0.698864e+22</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.v0">21.844392</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.v0">50.298572</scalar>
                     </list>
                     <list cmlx:templateRef="vibv0">
                        <scalar dataType="xsd:double" dictRef="cc:q.vibv0">0.164793e+08</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.vibv0">7.216939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.vibv0">16.617616</scalar>
                     </list>
                     <list cmlx:templateRef="elect">
                        <scalar dataType="xsd:double" dictRef="cc:q.elect">0.100000e+01</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.elect">0.000000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.elect">0.000000</scalar>
                     </list>
                     <list cmlx:templateRef="trans">
                        <scalar dataType="xsd:double" dictRef="cc:q.trans">0.106286e+09</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.trans">8.026476</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.trans">18.481643</scalar>
                     </list>
                     <list cmlx:templateRef="rot">
                        <scalar dataType="xsd:double" dictRef="cc:q.rot">0.399005e+07</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.rot">6.600978</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.rot">15.199313</scalar>
                     </list>
                  </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">0.0025 0.0153 -0.0066</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">0.0168</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-69.4893 -89.8558 -89.8551</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.0076 0.0046 0.0001</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">13.5774 -6.7891 -6.7884 -0.0076 0.0046 0.0001</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">0.0579 -4.6224 -1.4527 -0.0034 0.1137 -0.0706 0.0327 4.6230 1.4313 0.0245</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-7161.3053 -637.2995 -637.2279 -0.2432 -0.0010 -5.9397 0.0328 19.2872 -0.0353 -1421.1585 -1421.4721 -212.3038 -0.0137 -19.1310 5.9442</array>
                  </list>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="119">(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)|(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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="53">(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)|(A)|(A)|(A)|(A)|(A)</array>
               </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:string" dictRef="cc:electronicstate">1-A</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-969.9132133</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">5.268E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">5.186E-5</scalar>
                  <scalar dataType="xsd:string" dictRef="x:ZeroPoint">0.2408601</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Thermal">0.2598124</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C10H18Si2)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-0.0009899 -0.0045548 -0.0046951</array>
                  <array dataType="xsd:double"
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